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

Nec-4

Nec-4, a tricyclic derivative, is a potent receptor interacting protein 1 (RIP1) inhibitor, with an IC50 of 2.6 μM, Ki of 0.46 μM.

  • CAS Number: 1041644-43-2
  • MF: C15H13ClFN3O
  • MW: 305.73
  • Catalog: RIP kinase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Condurango glycoside E

Condurango glycoside E is a glycoside compound that can be isolated from the bark extract of Marsdenia cundurango[1].

  • CAS Number: 115784-07-1
  • MF: C53H76O18
  • MW: 1001.17
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

NK007

NK007 is a novel anti-SARS-CoV-2 agent with an EC50 value of 30 nM.

  • CAS Number: 2488661-53-4
  • MF: C28H33NO9
  • MW: 527.56
  • Catalog: SARS-CoV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

NS 9283

NS9283 is a positive positive allosteric modulator of (α4)3(β2)2 nicotinic ACh receptors. NS9283 can be used in a series of neurological conditions such as attention deficit hyperactivity disorder (ADHD), schizophrenia, Parkinson's disease and Alzheimer's disease[1].

  • CAS Number: 913830-15-6
  • MF: C14H8N4O
  • MW: 248.24000
  • Catalog: nAChR
  • Density: 1.37±0.1 g/cm3(20 °C , 760mmHg)
  • Boiling Point: 469.9±55.0 °C (760 mmHg)
  • Melting Point: N/A
  • Flash Point: N/A

MRTX-1257-d6

MRTX-1257-d6 is the deuterium labeled MRTX-1257 (HY-114436). MRTX-1257 is a selective, irreversible, covalent and orally active KRAS G12C inhibitor, with an IC50 of 900 pM for KRAS dependent ERK phosphorylation in H358 cells[1][2].

  • CAS Number: 2639608-44-7
  • MF: C33H33D6N7O2
  • MW: 571.75
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

p97-IN-1

p97-IN-1 is a potent p97 inhibitor with an IC50 <30 nM (WO2015109285A1, compound FF07)[1].

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

(R)-BPO-27

(R)-BPO-27 is a potent CFTR inhibitor with an IC50 of 4 nM.

  • CAS Number: 1415390-47-4
  • MF: C26H18BrN3O6
  • MW: 548.34
  • Catalog: CFTR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Valspodar

Valspodar is a P-glycoprotein (P-gp) inhibitor widely used as overcoming multidrug resistance modulator.

  • CAS Number: 121584-18-7
  • MF: C63H111N11O12
  • MW: 1214.622
  • Catalog: P-glycoprotein
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 1290.1±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 734.0±34.3 °C

Dabigatran etexilate mesylate

Dabigatran etexilate mesylate (BIBR 1048MS) is the orally active prodrug of dabigatran. Dabigatran is a reversible and selective, direct thrombin inhibitor (DTI) with Ki value of 4.5 nM.IC50 Value: 4.5 nM (Ki); 10 nM(Thrombin-induced platelet aggregation) [1]in vitro: Dabigatran selectively and reversibly inhibited human thrombin(Ki: 4.5 nM) as well as thrombin-induced platelet aggregation (IC(50): 10 nM), while showing no inhibitory effect on other platelet-stimulating agents.Thrombin generation in platelet-poor plasma (PPP), measured as the endogenous thrombin potential (ETP) was inhibited concentration-dependently (IC(50): 0.56 microM). Dabigatran demonstrated concentration-dependent anticoagulant effects in various species in vitro, doubling the activated partial thromboplastin time (aPTT), prothrombin time (PT) and ecarin clotting time (ECT) in human PPP at concentrations of 0.23, 0.83 and 0.18 microM, respectively [1]. in vivo: Dabigatran prolonged the aPTT dose-dependently after intravenous administration in rats (0.3, 1 and 3 mg/kg) and rhesus monkeys (0.15, 0.3 and 0.6 mg/kg). Dose- and time-dependent anticoagulant effects were observed with dabigatran etexilate administered orally to conscious rats (10, 20 and 50 mg/kg) or rhesus monkeys (1, 2.5 or 5 mg/kg), with maximum effects observed between 30 and 120 min after administration, respectively [1]. Patients treated with dabigatran etexilate experienced fewer ischaemic strokes (3.74 dabigatran etexilate vs 3.97 warfarin) and fewer combined intracranial haemorrhages and haemorrhagic strokes (0.43 dabigatran etexilate vs 0.99 warfarin) per 100 patient-years [2].Clinical trial: An Evaluation of the Pharmacokinetics and Pharmacodynamics of Oral Dabigatran Etexilate in Hemodialysis Patients . Phase1

  • CAS Number: 872728-81-9
  • MF: C35H45N7O8S
  • MW: 723.839
  • Catalog: Thrombin
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Tyrosinase-IN-5

Tyrosinase-IN-5 (compound 16c) is a potent inhibitor of tyrosinase with an IC50 of 0.02 μM. Tyrosinase-IN-5 efficiently suppresses the melanogenesis without significant toxicity on cells[1].

  • CAS Number: 2525175-90-8
  • MF: C18H13N3O6
  • MW: 367.31
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Caesalmin E

Caesalmin E is a natural cassane furanoditerpene with anti-Para3 (Parainfluenza virus type 3) virus activities[1].

  • CAS Number: 204185-91-1
  • MF: C26H36O9
  • MW: 492.56
  • Catalog: Influenza Virus
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 514.2±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 264.8±30.1 °C

odoratone

Odoratone (Dehydroodoratol) has insecticidal activity (LC50: 154 ppm)[1].

  • CAS Number: 16962-90-6
  • MF: C30H48O4
  • MW: 472.700
  • Catalog: Others
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 571.2±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 177.5±23.6 °C

CG-806

CG-806 is a pan FLT3/BTK Multi-Kinase inhibitor.

  • CAS Number: 1370466-81-1
  • MF: C26H19F4N5O2
  • MW: 509.455
  • Catalog: Btk
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 686.2±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 368.8±31.5 °C

TCN 238

TCN238 is a positive allosteric mGlu4 receptor modulator with an EC50 of 1 μM.

  • CAS Number: 125404-04-8
  • MF: C12H11N3
  • MW: 197.23600
  • Catalog: Neurological Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

3-hydroxy-5-methoxy-3-methoxycarbonyl-5-oxo-pentanoic acid

Dimethylurea/citric acid is a highly efficient deep eutectic solvent (DES). Dimethylurea/citric acid can be used as a catalyst and a green reaction medium for the synthesis of bis(indolyl)methanes, quinolines and aryl-4, 5-diphenyl-1H-imidazoles.

  • CAS Number: 53798-97-3
  • MF: C8H12O7
  • MW: 220.17700
  • Catalog: Others
  • Density: 1.378g/cm3
  • Boiling Point: 405.1ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 162.6ºC

Glybuzole

Glybuzole (Desaglybuzole) is an orally active hypoglycaemic agent that has antidiabetic effect[1].

  • CAS Number: 1492-02-0
  • MF: C12H15N3O2S2
  • MW: 297.39600
  • Catalog: Metabolic Disease
  • Density: 1.344g/cm3
  • Boiling Point: 449.4ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 225.6ºC

UNC-1062

UNC-1062 is a potent and selective Mer kinase inhibitor with IC50 of 1.1 nM, Ki of 0.33 nM; shows improved selectivity and activity against Mer relative to other TAM family RTKs (78-fold selectivity over Axl and 36-fold over Tyro3); inhibits Mer auto-phosphorylation in human pre-B leukemia 697 cells with IC50 of 6.4 nM, also inhibits colony formation in soft agar in tumor cells.

  • CAS Number: 1350549-36-8
  • MF: C25H34N6O4S
  • MW: 514.640
  • Catalog: TAM Receptor
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 744.0±70.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 403.8±35.7 °C

Medronic Acid

Medronic Acid (Methylenediphosphonic acid) is a methylene-substituted bisphosphonate. Medronic acid has affinity for and adheres to the surface of hydroxyapatite crystals in the bone matrix. This agent accumulates at sites of osteoid mineralization and can be used, complexed with radioisotopes in bone imaging.

  • CAS Number: 1984-15-2
  • MF: CH6O6P2
  • MW: 176.002
  • Catalog: Others
  • Density: 2.1±0.1 g/cm3
  • Boiling Point: 583.2±60.0 °C at 760 mmHg
  • Melting Point: 197-199 °C(lit.)
  • Flash Point: 306.5±32.9 °C

Rafoxanide 13C6

Rafoxanide 13C6 is a labeled Rafoxanide (HY-17598). Rafoxanide is a salicylanilide used as an antiparasitic agent[1].

  • CAS Number: 1353867-98-7
  • MF: C1313C6H11Cl2I2NO3
  • MW: 631.966
  • Catalog: Infection
  • Density: 2.0±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Hellebrigenol

Hellebrigenol is a metabolite of bufadienolides with antitumor activity[1].

  • CAS Number: 508-79-2
  • MF: C24H34O6
  • MW: 418.52300
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: 635.4±55.0 °C(Predicted)
  • Melting Point: 146-153 °C
  • Flash Point: N/A

IR5790

IR5790 is a herbicide. IR5790 strongly inhibits protoporphyrinogen oxidase with an IC50 of 3 nM[1].

  • CAS Number: 192809-26-0
  • MF: C15H14Cl2N2O2S
  • MW: 357.25
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

CAL-130

CAL-130 is a PI3Kδ and PI3Kγ inhibitor with IC50s of 1.3 and 6.1 nM, respectively.

  • CAS Number: 1431697-74-3
  • MF: C23H22N8O
  • MW: 426.47
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Antibacterial agent 159

Antibacterial agent 159 (Compound 6d) is an antibiotic. Antibacterial agent 159 can effective against impetigo and C. difficile infection (CDI). Antibacterial agent 159 has no observed recurrence for C. difficile and exertes a minimal impact on the beneficial gut microbiome[1].

  • CAS Number: 2804044-53-7
  • MF: C51H50N16O10S6
  • MW: 1239.43
  • Catalog: Infection
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

AHR antagonist 5 free base

AHR antagonist 5 free base is a selective and orally active aryl hydrocarbon receptor (AHR) inhibitor. AHR antagonist 5 free base effectively blocks AHR from translocating from the cytoplasm to the nucleus. AHR antagonist 5 free base is highly selective for AHR over other receptors, transporters, and kinases[1].

  • CAS Number: 2247950-42-9
  • MF: C25H24FN7
  • MW: 441.50
  • Catalog: Aryl Hydrocarbon Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Biotin-PEG8-Me-Tet

Biotin-PEG8-Me-Tet is a biotin labeling.

  • CAS Number: 2143958-82-9
  • MF: C39H62N8O11S
  • MW: 851.02
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

STACHYOSE TETRAHYDRATE

Stachyose is a prebiotic, a non-reducing tetrasaccharide in the rafnose family of oligosaccharides with few side efects.

  • CAS Number: 10094-58-3
  • MF: C24H50O25
  • MW: 738.639
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: 1044.2ºC at 760 mmHg
  • Melting Point: 95-105 °C
  • Flash Point: 585.3ºC

4-(trifluoromethyl)benzophenone

11β-HSD1-IN-7 (compound c10a) is a 11β‑HSD1 inhibitor with an IC50 value of 1.9 μM for human 11β‑HSD1. 11β-HSD1-IN-7 can be used for the research of diabetes and cognitive decline[1].

  • CAS Number: 728-86-9
  • MF: C14H9F3O
  • MW: 250.21600
  • Catalog: Metabolic Disease
  • Density: 1.244g/cm3
  • Boiling Point: 309.2ºC at 760 mmHg
  • Melting Point: 114-116 °C(lit.)
  • Flash Point: 153ºC

10-Gingerol

10-Gingerol is a major pungent constituent in the ginger oleoresin from fresh rhizome, with anti-inflammatory, antioxidant and anti-proliferative activities. 10-Gingerol inhibits the proliferation of MDA-MB-231 tumor cell line with an IC50 of 12.1 μM[1][2].

  • CAS Number: 23513-15-7
  • MF: C21H34O4
  • MW: 350.492
  • Catalog: Cancer
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 499.7±35.0 °C at 760 mmHg
  • Melting Point: 45 - 46 °C
  • Flash Point: 166.4±19.4 °C

Sibiricose A5

Sibiricose A5 is an oligosaccharide ester isolated from Polygalae Radix with potent antioxidant activity[1][2].

  • CAS Number: 107912-97-0
  • MF: C22H30O14
  • MW: 518.465
  • Catalog: Others
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 821.7±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 279.7±27.8 °C

coprine

Coprine is a mycotoxin isolated from Coprinopsis atramentaria. Coprine is an acetaldehyde dehydrogenase inhibitor that causes the buildup of acetaldehyde, causing the alcohol flushing reaction[1].

  • CAS Number: 58919-61-2
  • MF: C8H14N2O4
  • MW: 202.20800
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A