Chemsrc provides Signaling Pathways's classification. They are divided into Anti-infection, Antibody-drug Conjugate, Apoptosis, Autophagy, Cell Cycle/DNA Damage, Cytoskeleton, Epigenetics, GPCR/G Protein, Immunology/Inflammation, JAK/STAT Signaling, MAPK/ERK Pathway, Membrane Transporter/Ion Channel, Metabolic Enzyme/Protease, Neuronal Signaling, NF-κB, PI3K/Akt/mTOR, PROTAC, Protein Tyrosine Kinase/RTK, Stem Cell/Wnt, TGF-beta/Smad, Vitamin D Related, Others according to their Biological activity.

Anti-infection >
Arenavirus Bacterial CMV Enterovirus Filovirus Fungal HBV HCV HIV HSV Influenza Virus Parasite Reverse Transcriptase RSV SARS-CoV
Antibody-drug Conjugate >
ADC Cytotoxin ADC Linker Drug-Linker Conjugates for ADC PROTAC-linker Conjugate for PAC
Apoptosis >
Apoptosis Bcl-2 Family c-Myc Caspase DAPK Ferroptosis IAP MDM-2/p53 PKD RIP kinase Survivin Thymidylate Synthase TNF Receptor
Autophagy >
Autophagy LRRK2 ULK Mitophagy
Cell Cycle/DNA Damage >
Antifolate APC ATM/ATR Aurora Kinase Casein Kinase CDK Checkpoint Kinase (Chk) CRISPR/Cas9 Deubiquitinase DNA Alkylator/Crosslinker DNA-PK DNA/RNA Synthesis Eukaryotic Initiation Factor (eIF) G-quadruplex Haspin Kinase HDAC HSP IRE1 Kinesin LIM Kinase (LIMK) Microtubule/Tubulin Mps1 Nucleoside Antimetabolite/Analog p97 PAK PARP PERK Polo-like Kinase (PLK) PPAR RAD51 ROCK Sirtuin SRPK Telomerase TOPK Topoisomerase Wee1
Cytoskeleton >
Arp2/3 Complex Dynamin Gap Junction Protein Integrin Kinesin Microtubule/Tubulin Mps1 Myosin PAK
Epigenetics >
AMPK Aurora Kinase DNA Methyltransferase Epigenetic Reader Domain HDAC Histone Acetyltransferase Histone Demethylase Histone Methyltransferase JAK MicroRNA PARP PKC Sirtuin Protein Arginine Deiminase
GPCR/G Protein >
5-HT Receptor Adenosine Receptor Adenylate Cyclase Adiponectin Receptor Adrenergic Receptor Angiotensin Receptor Bombesin Receptor Bradykinin Receptor Cannabinoid Receptor CaSR CCR CGRP Receptor Cholecystokinin Receptor CRFR CXCR Dopamine Receptor EBI2/GPR183 Endothelin Receptor GHSR Glucagon Receptor Glucocorticoid Receptor GNRH Receptor GPCR19 GPR109A GPR119 GPR120 GPR139 GPR40 GPR55 GPR84 Guanylate Cyclase Histamine Receptor Imidazoline Receptor Leukotriene Receptor LPL Receptor mAChR MCHR1 (GPR24) Melatonin Receptor mGluR Motilin Receptor Neurokinin Receptor Neuropeptide Y Receptor Neurotensin Receptor Opioid Receptor Orexin Receptor (OX Receptor) Oxytocin Receptor P2Y Receptor Prostaglandin Receptor Protease-Activated Receptor (PAR) Ras RGS Protein Sigma Receptor Somatostatin Receptor TSH Receptor Urotensin Receptor Vasopressin Receptor Melanocortin Receptor
Immunology/Inflammation >
Aryl Hydrocarbon Receptor CCR Complement System COX CXCR FLAP Histamine Receptor IFNAR Interleukin Related IRAK MyD88 NO Synthase NOD-like Receptor (NLR) PD-1/PD-L1 PGE synthase Salt-inducible Kinase (SIK) SPHK STING Thrombopoietin Receptor Toll-like Receptor (TLR) Arginase
JAK/STAT Signaling >
MAPK/ERK Pathway >
ERK JNK KLF MAP3K MAP4K MAPKAPK2 (MK2) MEK Mixed Lineage Kinase MNK p38 MAPK Raf Ribosomal S6 Kinase (RSK)
Membrane Transporter/Ion Channel >
ATP Synthase BCRP Calcium Channel CFTR Chloride Channel CRAC Channel CRM1 EAAT2 GABA Receptor GlyT HCN Channel iGluR Monoamine Transporter Monocarboxylate Transporter Na+/Ca2+ Exchanger Na+/HCO3- Cotransporter Na+/K+ ATPase nAChR NKCC P-glycoprotein P2X Receptor Potassium Channel Proton Pump SGLT Sodium Channel TRP Channel URAT1
Metabolic Enzyme/Protease >
15-PGDH 5 alpha Reductase 5-Lipoxygenase Acetyl-CoA Carboxylase Acyltransferase Adenosine Deaminase Adenosine Kinase Aldehyde Dehydrogenase (ALDH) Aldose Reductase Aminopeptidase Angiotensin-converting Enzyme (ACE) ATGL ATP Citrate Lyase Carbonic Anhydrase Carboxypeptidase Cathepsin CETP COMT Cytochrome P450 Dipeptidyl Peptidase Dopamine β-hydroxylase E1/E2/E3 Enzyme Elastase Enolase FAAH FABP Factor Xa Farnesyl Transferase Fatty Acid Synthase (FAS) FXR Glucokinase GSNOR Gutathione S-transferase HCV Protease Hexokinase HIF/HIF Prolyl-Hydroxylase HIV Integrase HIV Protease HMG-CoA Reductase (HMGCR) HSP Indoleamine 2,3-Dioxygenase (IDO) Isocitrate Dehydrogenase (IDH) Lactate Dehydrogenase LXR MAGL Mineralocorticoid Receptor Mitochondrial Metabolism MMP Nampt NEDD8-activating Enzyme Neprilysin PAI-1 PDHK PGC-1α Phosphatase Phosphodiesterase (PDE) Phospholipase Procollagen C Proteinase Proteasome Pyruvate Kinase RAR/RXR Renin ROR Ser/Thr Protease SGK Stearoyl-CoA Desaturase (SCD) Thrombin Tryptophan Hydroxylase Tyrosinase Xanthine Oxidase
Neuronal Signaling >
5-HT Receptor AChE Adenosine Kinase Amyloid-β Beta-secretase CaMK CGRP Receptor COMT Dopamine Receptor Dopamine Transporter FAAH GABA Receptor GlyT iGluR Imidazoline Receptor mAChR Melatonin Receptor Monoamine Oxidase nAChR Neurokinin Receptor Opioid Receptor Serotonin Transporter γ-secretase
NF-κB >
NF-κB IKK Keap1-Nrf2 MALT1
PI3K/Akt/mTOR >
PROTAC E3 Ligase Ligand-Linker Conjugate Ligand for E3 Ligase PROTAC Linker PROTAC-linker Conjugate for PAC
Protein Tyrosine Kinase/RTK >
Ack1 ALK Bcr-Abl BMX Kinase Btk c-Fms c-Kit c-Met/HGFR Discoidin Domain Receptor DYRK EGFR Ephrin Receptor FAK FGFR FLT3 IGF-1R Insulin Receptor IRAK Itk PDGFR PKA Pyk2 ROS Src Syk TAM Receptor Trk Receptor VEGFR
Stem Cell/Wnt >
Casein Kinase ERK Gli GSK-3 Hedgehog Hippo (MST) JAK Notch Oct3/4 PKA Porcupine ROCK sFRP-1 Smo STAT TGF-beta/Smad Wnt YAP β-catenin γ-secretase
TGF-beta/Smad >
TGF-beta/Smad PKC ROCK TGF-β Receptor
Vitamin D Related >
Others >
Androgen Receptor Aromatase Estrogen Receptor/ERR Progesterone Receptor Thyroid Hormone Receptor Others
ML303 structure


ML303 is a pyrazolopyridine influenza virus nonstructural protein 1 (NS1) antagonist (IC90 = 155 nM), with an EC50 of 0.7 μM for Influenza A virus H1N1[1].

  • CAS Number: 1638211-04-7
  • MF: C21H16F3N3O2
  • MW: 399.37
  • Catalog: Influenza Virus
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A
LTD4 antagonist 1 structure

LTD4 antagonist 1

LTD4 antagonist 1 is a potent, orally active antagonist of leukotriene D4 (LTD4) with a Ki of 0.57 nM.

  • CAS Number: 136564-67-5
  • MF: C31H32F3N3O5S
  • MW: 615.66
  • Catalog: Leukotriene Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A
NBT structure


NBT(Nitro BT;p-Nitrotetrazolium blue) is a substrate for dehydrogenases; is used with the alkaline phosphatase substrate 5-Bromo- 4-Chloro-3-Indolyl Phosphate (BCIP) in western blotting and immunohistological staining procedures.

  • CAS Number: 298-83-9
  • MF: C40H30Cl2N10O6
  • MW: 817.636
  • Catalog: Dye Reagents
  • Density: 1.5521 (rough estimate)
  • Boiling Point: N/A
  • Melting Point: 200ºC
  • Flash Point: N/A
Scopine structure


Scopine is the metabolite of anisodine, which is a α1-adrenergic receptor agonist and used in the treatment of acute circulatory shock. Target: α1-Adrenergic ReceptorScopine is a tropane alkaloid found in a variety of plants including Mandragora root, Senecio mikanoides (Delairea odorata), Scopolia carniolica and Scopolia lurida. Scopine can be prepared by the hydrolysis of scopolamine. From Wikipedia.

  • CAS Number: 498-45-3
  • MF: C8H13NO2
  • MW: 155.194
  • Catalog: Adrenergic Receptor
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 281.3±40.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 123.9±27.3 °C
Methyl 3,4-dihydroxy-5-methoxybenzoate structure

Methyl 3,4-dihydroxy-5-methoxybenzoate

Methyl 3-O-methylgallate (M3OMG) possesses antioxidant effect and can protect neuronal cells from oxidative damage[1].

  • CAS Number: 3934-86-9
  • MF: C9H10O5
  • MW: 198.17
  • Catalog: Neurological Disease
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 391.7±37.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 160.5±20.0 °C
Manidipine structure


Manidipine is a calcium channel blocker that is used clinically as an antihypertensive. Target: Calcium ChannelManidipine is a dihydropyridine calcium antagonist, which causes systemic vasodilation by inhibiting the voltage-dependent calcium inward currents in smooth muscle cells. Manidipine was well tolerated in clinical trials, with most adverse effects related to vasodilation [1]. Manidipine is a lipophilic, third-generation dihydropyridine calcium channel antagonist with a high degree of selectivity for the vasculature, thereby inducing marked peripheral vasodilation with negligible cardiodepression. manidipine represents a first-line treatment option for patients with essential mild-to-moderate hypertension [2]. Manidipine has neutral effects on glucose and lipid metabolism and is generally well tolerated. Manidipine thus represents a first-line option for lowering BP in patients with mild-to-moderate hypertension [3].

  • CAS Number: 89226-50-6
  • MF: C35H38N4O6
  • MW: 610.699
  • Catalog: Calcium Channel
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 722.0±60.0 °C at 760 mmHg
  • Melting Point: 125-128ºC
  • Flash Point: 390.4±32.9 °C
β-Endorphin, human structure

β-Endorphin, human

β-Endorphin, human, a prominent endogenous peptide, existing in the hypophysis cerebri and hypothalamus, is an agonist of opioid receptor, with preferred affinity for μ-opioid receptor and δ-opioid receptor; β-Endorphin, human exhibits antinociception activity.

  • CAS Number: 61214-51-5
  • MF: C158H251N39O46S
  • MW: 3464.98000
  • Catalog: Peptides
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A
Ruxolitinib phosphate structure

Ruxolitinib phosphate

Ruxolitinib phosphate is a potent JAK1/2 inhibitor with IC50s of 3.3 nM/2.8 nM, respectively, showing more than 130-fold selectivity over JAK3.

  • CAS Number: 1092939-17-7
  • MF: C17H21N6O4P
  • MW: 404.360
  • Catalog: Autophagy
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A
amyloid P-IN-1 structure

amyloid P-IN-1

pharmaceutical compositions comprising the same and the use of the same for treatment of diseases or disorders wherein depletion of serum amyloid P component (SAP) would be beneficial, including amyloidosis, Alzheimer's disease, type 2 diabetes mellitus and osteoarthritis.

  • CAS Number: 1819986-22-5
  • MF:
  • MW: 656.68
  • Catalog: Amyloid-β
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A
LY354740 structure


LY354740 is a highly potent and selective group II (mGlu2/3) receptor agonist with IC50s of 5 and 24 nM on transfected human mGlu2 and mGlu3 receptors, respectively.

  • CAS Number: 176199-48-7
  • MF: C8H11NO4
  • MW: 185.17700
  • Catalog: mGluR
  • Density: 1.569
  • Boiling Point: 376.4ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: N/A
Ethynodiol diacetate structure

Ethynodiol diacetate

Ethynodiol diacetate is a steroidal progestin which is used as a hormonal contraceptive, it has relatively little or no potency as an androgen,has significant estrogenic effects.

  • CAS Number: 297-76-7
  • MF: C24H32O4
  • MW: 384.509
  • Catalog: Endocrinology
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 461.1±45.0 °C at 760 mmHg
  • Melting Point: 128 - 131ºC
  • Flash Point: 221.8±27.1 °C
Biotin NHS structure

Biotin NHS

Biotin NHS is an amino reactive biotin reagent used in the preparation of biotinylated surfaces or polypeptides.

  • CAS Number: 35013-72-0
  • MF: C14H19N3O5S
  • MW: 341.383
  • Catalog: Dye Reagents
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: 212-214 °C
  • Flash Point: N/A
CDD0102 structure


CDD0102 is a potent M1 Muscarinic receptor agonist.

  • CAS Number: 146422-58-4
  • MF: C8H12N4O
  • MW: 180.20700
  • Catalog: mAChR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A
RMI 10874 structure

RMI 10874

RMI 10874 is a tilorone analogue. Tilorone is a small-molecule, orally bioavailable antiviral agent. RMI 10874 completely abolishes lung colonization of an H-2 negative (GR9.B9) MCA-induced fibrosarcoma clone.

  • CAS Number: 38020-45-0
  • MF: C21H26N2O4
  • MW: 370.44200
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A
GW870086 structure


GW-870086 is a potent anti-inflammatory agent, acting as a glucocorticoid receptor agonist, with a pIC50 of 10.1 in A549 cells expressing NF-κB.

  • CAS Number: 827319-43-7
  • MF: C31H39F2NO6
  • MW: 559.64100
  • Catalog: Glucocorticoid Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A
Piperidolate (hydrochloride) structure

Piperidolate (hydrochloride)

Piperidolate hydrochloride is an antimuscarinic, inhibits intestinal cramp induced by acetylcholine (rats and dogs).

  • CAS Number: 129-77-1
  • MF: C21H26ClNO2
  • MW: 359.89000
  • Catalog: mAChR
  • Density: N/A
  • Boiling Point: 431.9ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 136ºC
BI-671800 structure


BI-671800 is a highly specific and potent antagonist of chemoattractant receptor-homologous molecule on Th2 cells (DP2/CRTH2), with IC50 values of 4.5 nM and 3.7 nM for PGD2 binding to CRTH2 in hCRTH2 and mCRTH2 transfected cells, respectively[1]. BI-671800 has potential for the treatment of poorly controlled asthma[2].

  • CAS Number: 1093108-50-9
  • MF: C25H26F3N5O3
  • MW: 501.50100
  • Catalog: Prostaglandin Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A
Campathecin structure


Campathecin is a potent DNA enzyme topoisomerase I inhibitor, with an IC50 of 679 nM.

  • CAS Number: 7689-03-4
  • MF: C20H16N2O4
  • MW: 348.352
  • Catalog: ADC Cytotoxin
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 757.0±60.0 °C at 760 mmHg
  • Melting Point: 260 °C (dec.)(lit.)
  • Flash Point: 411.6±32.9 °C
Diosmin structure


Diosmin is a flavonoid found in a variety of citrus fruits and also an agonist of the aryl hydrocarbon receptor (AhR).

  • CAS Number: 520-27-4
  • MF: C28H32O15
  • MW: 608.545
  • Catalog: Aryl Hydrocarbon Receptor
  • Density: 1.7±0.1 g/cm3
  • Boiling Point: 926.8±65.0 °C at 760 mmHg
  • Melting Point: 277-278°C
  • Flash Point: 305.2±27.8 °C
diltiazem hydrochloride structure

diltiazem hydrochloride

Diltiazem hydrochloride is a Ca2+ influx inhibitor (slow channel blocker or calcium antagonist).

  • CAS Number: 33286-22-5
  • MF: C22H27ClN2O4S
  • MW: 450.979
  • Catalog: Calcium Channel
  • Density: 1.26g/cm3
  • Boiling Point: 594.4ºC at 760mmHg
  • Melting Point: 212-214 °C
  • Flash Point: 313.3ºC
PF-3716556 structure


PF 03716556 is a potent, and selective acid pump (H+,K+ ATPase) antagonist, with pIC50 value of 6.009.IC50 value:6.009 (pIC50)Target: H+,K+ ATPasePF-03716556 inhibited the activity of H+, K+-ATPase with pIC50 of 6.026 ± 0.112, 6.038 ± 0.039 and 6.009 ± 0.209 at pH 6.4 for porcine, canine and human ion-leaky membrane vesicles, respectively. PF-03716556 (PF03716556) is useful for treatment of gastroesophageal reflux disease.

  • CAS Number: 928774-43-0
  • MF: C22H26N4O3
  • MW: 394.467
  • Catalog: Potassium Channel
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: 143-145°C
  • Flash Point: N/A
BI-4464 structure


BI-4464 is a highly selective ATP competitive inhibitor of PTK2/FAK, with an IC50 of 17 nM. A PTK2 ligand for PROTAC[1].

  • CAS Number: 1227948-02-8
  • MF: C28H28F3N5O4
  • MW: 555.55
  • Catalog: FAK
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A
Framycetin structure


Framycetin (Fradiomycin B; Neomycin B) is an aminoglycoside antibiotic. It inhibits hammerhead ribozyme with a Ki of 13.5 μM.

  • CAS Number: 119-04-0
  • MF: C23H46N6O13
  • MW: 614.64400
  • Catalog: Bacterial
  • Density: 1.61 g/cm3
  • Boiling Point: 927.1ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 514.5ºC
Sulfamethazine structure


Sulfamethazine is a sulfonamide antibacterial.Target: AntibacterialSulfamethazine is an antibiotic used to treat bronchitis, prostatitis and urinary tract infections. Sulfamethazine blocks the synthesis of dihydrofolic acid by inhibiting dihydropteroate synthase. In addition, sulfamethazine is a structural analog and competitive antagonist of para-aminobenzoic acid (PABA) and can inhibit normal bacterial utilization of PABA for the synthesis of folic acid, which is an important metabolite in DNA synthesis [1, 2].

  • CAS Number: 57-68-1
  • MF: C12H14N4O2S
  • MW: 278.330
  • Catalog: Bacterial
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 526.2±52.0 °C at 760 mmHg
  • Melting Point: 197 °C
  • Flash Point: 272.1±30.7 °C
WAY-362450 structure


WAY-362450 is a potent, selective, and orally bioavailable FXR agonist with EC50 of 4 nM.

  • CAS Number: 629664-81-9
  • MF: C25H24F2N2O3
  • MW: 438.466
  • Catalog: FXR
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 617.3±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 327.1±31.5 °C
BCA structure


BCA is 2,2-Biquinoline-4,4-dicarboxylic acid disodium salt; Determination of Cu and protein assay.

  • CAS Number: 979-88-4
  • MF: C20H10N2Na2O4
  • MW: 388.284
  • Catalog: Biochemical Assay Reagents
  • Density: N/A
  • Boiling Point: 530.6ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 274.7ºC
KB SRC 4 structure


KB SRC 4 is a potent, and highly selective c-Src inhibitor, with a Ki of 44 nM and a Kd of 86 nM, and shows no inhibition on c-Abl up to 125 μM; KB SRC 4 has antitumor activity.

  • CAS Number: 1380088-03-8
  • MF: C32H23ClN8
  • MW: 555.03200
  • Catalog: Src
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A
WAY-262611 structure


WAY-262611 is a wingless β-Catenin agonist that increases bone formation rate with an EC50 of 0.63 μM in TCF-Luciferase assay.

  • CAS Number: 1123231-07-1
  • MF: C20H22N4
  • MW: 318.415
  • Catalog: β-catenin
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 544.8±42.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 283.3±27.9 °C
Tiotropium bromide hydrate structure

Tiotropium bromide hydrate

Tiotropium Bromide hydrate is an anticholinergic and bronchodilator and a muscarinic receptor antagonist.Target: mAChRTiotropium bromide (Ba 679 BR) is a novel potent and long-lasting muscarinic antagonist that has been developed for the treatment of chronic obstructive airways disease (COPD). Binding studies with [3H]tiotropium bromide in human lung have confirmed that this is a potent muscarinic antagonist with equal affinity for M1-, M2- and M3-receptors and is approximately 10-fold more potent than ipratropium bromide. In vitro tiotropium bromide has a potent inhibitory effect against cholinergic nerve-induced contraction of guinea-pig and human airways, that has a slower onset than atropine or ipratropium bromide. tiotropium bromide dissociates slowly from M3-receptors (on airway smooth muscle) but rapidly from M2 autoreceptors (on cholinergic nerve terminals) [1]. Tiotropium bromide is a quaternary ammonium derivative that binds to muscarinic receptors. However, although tiotropium binds with high affinity to muscarinic receptors of M1-, M2- and M3-subtypes, it dissociates very slowly from M1- and M3-receptors but more rapidly from M2-receptors, thereby giving it a unique kinetic selectivity [2].

  • CAS Number: 139404-48-1
  • MF: C19H24BrNO5S2
  • MW: 490.432
  • Catalog: mAChR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: 218-220ºC
  • Flash Point: N/A
BMS-538203 structure


BMS-538203 is a highly efficient HIV integrase inhibitor and antiviral agent.IC50 value:Target: HIV integraseIn the current study we demonstrate a hit-to-clinical candidate pathway that resulted in 50- and 2000-fold improvements in enzyme-inhibition and antiviral activity without an increase in molecular weight or change in molecular topology. The original hit , 1 (mw = 268) was optimized in a stepwise manner. Potential covalent protein-binding moieties were removed by reducing the number of the ketone groups. High enzyme inhibition activity was achieved by optimizing the aryl-portion of the molecule. Protein binding was reduced by replacing the standard amide by the corresponding methyl-hydroxamide. This eventually led to the discovery of BMS-538203 compound 2 (mw = 269) a highly efficient inhibitor and antiviral agent.

  • CAS Number: 543730-41-2
  • MF: C12H12FNO5
  • MW: 269.22600
  • Catalog: HIV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A