Chemsrc provides Research Areas's classification. They are divided into Others, Cancer, Cardiovascular Disease, Endocrinology, Infection, Inflammation/Immunology, Metabolic Disease, Neurological Disease 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 >
EGFR JAK Pim STAT
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 >
Akt AMPK ATM/ATR DNA-PK GSK-3 MELK mTOR PDK-1 PI3K PI4K PIKfyve PTEN
PROTAC >
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 >
VD/VDR
Others >
Androgen Receptor Aromatase Estrogen Receptor/ERR Progesterone Receptor Thyroid Hormone Receptor Others

Rafoxanide

Rafoxanide is a salicylanilide used as an antiparasitic agent.

  • CAS Number: 22662-39-1
  • MF: C19H11Cl2I2NO3
  • MW: 626.010
  • Catalog: Parasite
  • Density: 2.0±0.1 g/cm3
  • Boiling Point: 526.6±50.0 °C at 760 mmHg
  • Melting Point: 169ºC
  • Flash Point: 272.3±30.1 °C

SPV 106

SPV106 is histone acetylase (HAT) and GCN5-related N-acetyltransferases (GNAT) activator. SPV106 can be used for the research of type 2 diabetes (T2D)[1].

  • CAS Number: 1036939-38-4
  • MF: C22H40O4
  • MW: 368.55100
  • Catalog: Histone Acetyltransferase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A
  • CAS Number: 186142-28-9
  • MF: C50H78N14O19
  • MW: 1179.237
  • Catalog: Beta-secretase
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Isoxepac-d6

Isoxepac-d6 (HP 549-d6) is the deuterium labeled Isoxepac (HY-W050088). Isoxepac is a nonsteroidal anti-inflammatory agent[1].

  • CAS Number: 2012598-71-7
  • MF: C16H6D6O4
  • MW: 274.30
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Zilucoplan

Zilucoplan (RA101495), a 15-amino acid macrocyclic peptide, is a potent complement component 5 (C5) inhibitor. Zilucoplan can be used in research of immune-mediated necrotising myopathy (IMNM)[1][2].

  • CAS Number: 1841136-73-9
  • MF: (C2H4O)nC126H186N24O32
  • MW:
  • Catalog: Complement System
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

(5Z)-5-(2-Hexyn-1-ylidene)-2(5H)-furanone

(4Z)-Lachnophyllum lactone is a enyne derivative. (4Z)-Lachnophyllum lactone shows growth inhibitory activity against Lemna paucicostata (IC50=104 μM), which is a problematic and invasive weed[1].

  • CAS Number: 81122-95-4
  • MF: C10H10O2
  • MW: 162.19
  • Catalog: Others
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 262.6±33.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 103.7±22.8 °C

VTP-27999 (Hydrochloride)

VTP-27999 Hcl is an alkyl amine Renin inhibitor; VTP-27999 is useful for Hypertension and End-Organ Diseases.IC50 value:Target: Renin

  • CAS Number: 1264191-73-2
  • MF: C26H42Cl2N4O5
  • MW: 561.54100
  • Catalog: Renin
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Pimethixene

Pimethixene is an antihistamine and anticholinergic agent, that is often used to treat hyperactivity, anxiety, sleep disorders, and allergy.

  • CAS Number: 314-03-4
  • MF: C19H19NS
  • MW: 293.42600
  • Catalog: Histamine Receptor
  • Density: 1.192g/cm3
  • Boiling Point: 439.7ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 219.7ºC

Kisspeptin 234 acetate

Kisspeptin 234, is a 10 amino acid peptide as well as a kisspeptin receptor (KISS1, GPR54) antagonist. Kisspeptin 234 is an analog of Kisspeptin 10[1].

  • CAS Number: 1145998-81-7
  • MF: C63H78N18O13
  • MW: 1295.41
  • Catalog: Cardiovascular Disease
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Diazolidinyl urea

Diazolidinyl urea, a broad spectrum preservative, is a formaldehyde-releasing compound that releases formaldehyde through its decomposition. Diazolidinyl urea is effective against most contaminating microorganisms, especially Pseudomonas[1][2].

  • CAS Number: 78491-02-8
  • MF: C8H14N4O7
  • MW: 278.219
  • Catalog: Bacterial
  • Density: 1.8±0.1 g/cm3
  • Boiling Point: 421.04°C (rough estimate)
  • Melting Point: N/A
  • Flash Point: N/A

SB 452533

SB 452533 is a potent and selective TRPV1 antagonist with the pKb of 7.8[1].

  • CAS Number: 459429-39-1
  • MF: C18H22BrN3O
  • MW: 376.29
  • Catalog: TRP Channel
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Zanapezil free base

Zanapezil (TAK-147) free base is a potent, reversible and selective acetylcholine esterase (AChE) inhibitor. Zanapezil free base shows a potent and reversible inhibition of AChE activity in homogenates of the rat cerebral cortex (IC50=51.2 nM). Zanapezil free base shows a moderate inhibition of muscarinic M1 and M2 receptor binding with Ki values of 234 and 340 nM, respectively. Zanapezil free base can be used for the research of early stages of Alzheimer's disease (AD)[1].

  • CAS Number: 142852-50-4
  • MF: C25H32N2O
  • MW: 376.53
  • Catalog: AChE
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

gamma-secretase modulator 1

γ-secretase inhibitior-1 is a gamma-secretase modulator, γ-secretase inhibitior-1 is useful for Alzheimer's disease.

  • CAS Number: 1172637-87-4
  • MF: C24H24N4OS
  • MW: 416.53900
  • Catalog: γ-secretase
  • Density: 1.3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

clonixin

Clonixin (SCH-10304) is an orally active analgesic and a non-steroidal anti-inflammatory agent in rodents[1].

  • CAS Number: 17737-65-4
  • MF: C13H11ClN2O2
  • MW: 262.692
  • Catalog: Inflammation/Immunology
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 410.2±45.0 °C at 760 mmHg
  • Melting Point: 242 °C
  • Flash Point: 201.9±28.7 °C

Sulfopin

Sulfopin (PIN1-3) is a highly selective covalent inhibitor of Pin1 with an apparent Ki of 17 nM. Sulfopin blocks Myc-driven tumors in vivo. The peptidyl-prolyl isomerase, Pin1, is exploited in cancer to activate oncogenes and inactivate tumor suppressors[1].

  • CAS Number: 2451481-08-4
  • MF: C11H20ClNO3S
  • MW: 281.80
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Oligomycin C

Oligomycin C is an antifungal agent isolated from Streptomyces strain[1].

  • CAS Number: 11052-72-5
  • MF: C45H74O10
  • MW: 775.06300
  • Catalog: Fungal
  • Density: 1.12g/cm3
  • Boiling Point: 876.2ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 249.4ºC

Tiagabine hydrochloride

Tiagabine hydrochloride(NO328 hydrochloride) is a selective gamma-aminobutyric acid (GABA) reuptake inhibitor.Target: GABA reuptake inhibitorTiagabine had an early onset of effect, as shown by significant reduction from baseline in mean HAM-A total score compared with placebo at week 1 (observed cases, p < .05). Tiagabine was generally well tolerated and not associated with changes in sexual functioning or depressive status. Symptoms of a discontinuation syndrome during taper were not observed. Tiagabine may be a useful treatment option for adult patients diagnosed with GAD [1]. Tiagabine was generally well tolerated; the most common adverse events were nausea, dizziness and headaches [2]. Tiagabine (0.1 microM), an antiepileptic drug that specifically inhibits the GAT-1 GABA transporter inhibited GABA uptake 50% in temporal cortex and 60-68% in white structures [3].

  • CAS Number: 145821-59-6
  • MF: C20H26ClNO2S2
  • MW: 412.009
  • Catalog: GABA Receptor
  • Density: N/A
  • Boiling Point: 568ºC at 760 mmHg
  • Melting Point: >192oC dec.
  • Flash Point: 297.3ºC

gldh

Glutamate dehydrogenase NAD(P) (GLDH) can be found in hepatocytes, renal tissue, brain, muscle, and intestinal cells. Glutamate dehydrogenase NAD(P) is often used in biochemical studies. Glutamate dehydrogenase is a mitochondrial enzyme, it catalyzes the reversible oxidative deamination of glutamate to α-ketoglutarate (α-KG) as part of the urea cycle[1].

  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

H-D-CHA-Ala-Arg-pNA

H-D-CHA-Ala-Arg-pNA is a chromogenic substrate for the amidolytic assay[1].

  • CAS Number: 143556-06-3
  • MF: C24H38N8O5
  • MW: 518.61
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

L 669262

L-669,262, a potent inhibitor of 3-hydroxy-3-methylglutaryl coenzyme A (HMG-CoA) reductase, with an IC50 of 0.10 ng/mL for rat liver HMG-CoA[1].

  • CAS Number: 130468-11-0
  • MF: C25H36O6
  • MW: 432.55
  • Catalog: HMG-CoA Reductase (HMGCR)
  • Density: 1.16g/cm3
  • Boiling Point: 609.5ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 202.1ºC

PARP/PI3K-IN-1

PARP/PI3K-IN-1 (compound 15) is a potent PARP/PI3K inhibitor with pIC50 values of 8.22, 8.44, 8.25, 6.54, 8.13, 6.08 for PARP-1, PARP-2, PI3Kα, PI3Kβ, PI3Kδ, and PI3Kγ, respectively. PARP/PI3K-IN-1 is a highly effective anticancer compound targeted against a wide range of oncologic diseases[1].

  • CAS Number: 2337386-47-5
  • MF: C33H28F4N8O3
  • MW: 660.62
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

2,6-Dichloro-9-(2-C-Methyl-2,3,5-tri-O-benzoyl-β-D-ribofuranosyl)purine

2,6-Dichloro-9-(2-c-methyl-2,3,5-tri-O-benzoyl-beta-D-ribofuranosyl)purine dibenzoate is a purine nucleoside analog. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1].

  • CAS Number: 205171-10-4
  • MF: C32H24Cl2N4O7
  • MW: 647.46
  • Catalog: Nucleoside Antimetabolite/Analog
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 752.7±70.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 409.0±35.7 °C

Acipimox

Acipimox is a niacin derivative used as a hypolipidemic agent.Target: Acipimox is a niacin derivative used as a hypolipidemic agent. It is used in low doses and may have less marked adverse effects, although it is unclear whether the recommended dose is as effective as are standard doses of nicotinic acid. Acipimox inhibits the production of triglycerides by the liver and the secretion of VLDL, which leads indirectly to a modest reduction in LDL and increase in HDL. Long-term administration is associated with reduced mortality, but unwanted effects limit its clinical use. Adverse effects include flushing (associated with Prostaglandin D2), palpitations, and GI disturbances. Flushing can be reduced by taking aspirin 20-30 min before taking Acipimox. High doses can cause disorders of liver function, impair glucose tolerance and precipitate gout. From Wikipedia.

  • CAS Number: 51037-30-0
  • MF: C6H6N2O3
  • MW: 154.123
  • Catalog: Cardiovascular Disease
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 539.0±45.0 °C at 760 mmHg
  • Melting Point: 177-180 °C
  • Flash Point: 279.8±28.7 °C

SPL 334

SPL-334 is a potent and selective S-Nitrosoglutathione reductase (GSNOR) inhibitor. SPL-334 causes a significant reduction in the production of Th2 cytokines IL-5 and IL-13 and the levels of the chemokine CCL11 (eotaxin-1) in the airways. SPL-334 can be used in research of allergic airway inflammation[1].

  • CAS Number: 688347-51-5
  • MF: C22H15N3O3S2
  • MW: 433.503
  • Catalog: GSNOR
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 694.0±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 373.5±34.3 °C

o-3M3FBS

o-3M3FBS is the negative control of m-3M3FBS. o-3M3FBS inhibits inward and outward currents via mechanisms independent of PLC acting in an antagonistic manner. In contrast, o-3M3FBS also causes an increase in [Ca2+]i in an agonistic manner[1].

  • CAS Number: 313981-55-4
  • MF: C16H16F3NO2S
  • MW: 343.36400
  • Catalog: Others
  • Density: 1.316g/cm3
  • Boiling Point: 424.3ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 210.4ºC

Enoximone

Enoximone is an inotropic vasodilating agent and a selective and orally active phosphodiesterase III (PDE3) inhibitor with an IC50 of 5.9 μM. Enoximone induces vasodilatation and increases intracellular levels of cAMP by inhibiting cGMP-inhibited PDE. Enoximone also exhibits PDE4 inhibitory effect with an IC50 of 21.1 μM for myocardial PDE4A. Enoximone has the potential for congestive heart failure research and has bronchodilatory, antiasthma and anti-inflammatory effects[1][2][3].

  • CAS Number: 77671-31-9
  • MF: C12H12N2O2S
  • MW: 248.301
  • Catalog: Phosphodiesterase (PDE)
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: 255-258°C
  • Flash Point: N/A

Isofebrifugine

Isofebrifugine, isolated from a Chinese medicinal plant, Chang Shan (Dichroa febrifuga), is a natural quinazolinone alkaloid with important physiological activities and good pharmacological effects. Antimalarial effect[1].

  • CAS Number: 32434-44-9
  • MF: C16H19N3O3
  • MW: 301.34000
  • Catalog: Infection
  • Density: 1.48±0.1 g/cm3 (20 ºC 760 Torr)
  • Boiling Point: 519.8±58.0 °C(Predicted)
  • Melting Point: 138-139 ºC
  • Flash Point: N/A

LEI 101 hydrochloride

LEI-101 is a potent, selective, and orally bioavailable cannabinoid CB2 receptor agonist, with a pEC50 of 8 for hCB2, and a pKi of less than 4 for hERG. LEI-101 is ~100-fold more potent in binding to CB2 receptors than to CB1 receptors[1][2].

  • CAS Number: 2250025-91-1
  • MF: C23H26ClFN4O4S
  • MW: 508.99
  • Catalog: Cannabinoid Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

2,4(1H,3H)-Pyrimidinedione,1-(2-deoxy-b-D-threo-pentofuranosyl)-5-methyl-

1-(2-Deoxy-β-D-threo-pentofuranosyl)thymine is a thymidine analog. Analogs of this series have insertional activity towards replicated DNA. They can be used to label cells and track DNA synthesis[1].

  • CAS Number: 16053-52-4
  • MF: C10H14N2O5
  • MW: 242.23
  • Catalog: Nucleoside Antimetabolite/Analog
  • Density: 1.452g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

E3 Ligase Ligand-Linker Conjugates 25 Trifluoroacetate

E3 Ligase Ligand-Linker Conjugates 25 Trifluoroacetate is a synthesized compound that incorporates an E3 ligase ligand and a linker used in PROTAC technology.

  • CAS Number: 1950635-14-9
  • MF: C23H27F3N4O8
  • MW: 544.48
  • Catalog: E3 Ligase Ligand-Linker Conjugate
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A