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

RJR 2429 dihydrochloride

RJR 2429 hydrochloride is a α4β2 and α7 nAChR agonist[1].

  • CAS Number: 1021418-53-0
  • MF: C12H18Cl2N2
  • MW: 261.191
  • Catalog: nAChR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Praeruptorin B

Praeruptorin B is an inhibitor of sterol regulatory element-binding proteins (SREBPs).

  • CAS Number: 73069-28-0
  • MF: C24H26O7
  • MW: 426.459
  • Catalog: Metabolic Disease
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 524.8±50.0 °C at 760 mmHg
  • Melting Point: 175-176ºC
  • Flash Point: 225.5±30.2 °C

N-Acetyl-DL-Alanine

Ac-DL-Ala-OH is an alanine derivative[1].

  • CAS Number: 1115-69-1
  • MF: C5H9NO3
  • MW: 131.130
  • Catalog: Others
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 369.7±25.0 °C at 760 mmHg
  • Melting Point: 137-139ºC
  • Flash Point: 177.4±23.2 °C

BiCAPPA

BiCAPPA is the first bivalent antiprion ligand. BiCAPPA can decrease infectious conformational form of prion protein (PrPSc) from scrapie-infected cells, with an EC50 of 0.32 μM[1][2].

  • CAS Number: 119662-55-4
  • MF: C38H40Cl2N6O2
  • MW: 683.66900
  • Catalog: Infection
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

SKF 83959 hydrobromide

SKF83959 hydrobromide is a potent and selective dopamine D1-like receptor partial agonist. SKF83959 hydrobromide Ki values for rat D1, D5, D2 and D3 receptors are 1.18, 7.56, 920 and 399 nM, respectively. SKF83959 hydrobromide is a potent allosteric modulator of sigma (σ)-1 receptor. SKF83959 hydrobromide belongs to benzazepine family and has improvements on cognitive dysfunction. SKF83959 hydrobromide can be used for the research of Alzheimer's disease and depression[1][2][3][4].

  • CAS Number: 67287-95-0
  • MF: C18H21BrClNO2
  • MW: 398.72200
  • Catalog: Dopamine Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

H-Arg-OEt·2HCl

L-Arginine ethyl ester dihydrochloride is an arginine derivative[1].

  • CAS Number: 36589-29-4
  • MF: C8H20Cl2N4O2
  • MW: 275.176
  • Catalog: Others
  • Density: 1.26g/cm3
  • Boiling Point: 343.3ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 161.4ºC

Flazin

Flazin is a non-enzymatic protein glycation inhibitor, also inhibits peroxynitrite (ONOO-), with an IC50 value of 85.31 μM for bovine serum albumin (BSA) glycation and an EC50 value of 71.99 μM for ONOO-. Flazin can be used for researching diabetes and neuronal disorders. Flazin also can used as a lipid droplet (LD) regulator against lipid disorders, and a xanthine oxidase (XOD) inhibitor[1][2][3].

  • CAS Number: 100041-05-2
  • MF: C17H12N2O4
  • MW: 308.28800
  • Catalog: NO Synthase
  • Density: 1.513g/cm3
  • Boiling Point: 657.1ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 351.2ºC

EGFR-IN-60

EGFR-IN-60 (Compound 7d) shows obvious inhibition of EGFRWT, EGFRT790M, EGFRL858R and JAK3 with IC50s of 83, 26, 53, and 69 nM, respectively. EGFR-IN-60 potently inhibits the growth of H1975 cells harboring EGFRT790M mutation (IC50=1.32 µM) over A431 cells overexpressing EGFRWT (IC50=4.96 µM). EGFR-IN-60 exhibits good oral absorption, potent and safe antitumor activity. EGFR-IN-60 induces cell death through apoptosis supported by increased Bax/Bcl-2 ratio[1].

  • CAS Number: 2699877-43-3
  • MF: C28H28Cl2N6O
  • MW: 535.47
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

RP101442

RP101442, an active metabolite of Ozanimod, is a selective, potent S1PR1 (sphingosine-1-phosphate receptor 1) agonist, with EC50s of 2.6 nM and 171 nM for S1PR1 and S1PR5, respectively[1].

  • CAS Number: 1306761-08-9
  • MF: C23H22N4O3
  • MW: 402.45
  • Catalog: LPL Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Benzenamine, N-phenyl-,hydrochloride (1:1)

Diphenylamine hydrochloride, an organic compound isolated from coriander, is used mainly for its antioxidant properties. Diphenylamine is used as an industrial antioxidant, dye mordant and is also applied in agriculture as a fungicide and antihelmintic[1].

  • CAS Number: 537-67-7
  • MF: C12H12ClN
  • MW: 205.68300
  • Catalog: Others
  • Density: 1.088g/cm3
  • Boiling Point: 302ºC at 760 mmHg
  • Melting Point: 180 °C
  • Flash Point: 152.8ºC

Verilopam

Verilopam is a potent analgesic.

  • CAS Number: 68318-20-7
  • MF: C20H26N2O2
  • MW: 326.43300
  • Catalog: Neurological Disease
  • Density: 1.111g/cm3
  • Boiling Point: 494.8ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 253.1ºC

DS2

DS2 is a selective positive allosteric modulator of δ-GABAA receptor. DS2 selectively potentiates GABA responses mediated by α4β3δ receptor. DS2 does not enhance activity at α4β3γ2 and α1β3γ2 receptors. DS2 relieves pain and has the potential for sleep disorders research[1].

  • CAS Number: 374084-31-8
  • MF: C18H12ClN3OS
  • MW: 353.82500
  • Catalog: GABA Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Acetyl Pentapeptide-1

Acetyl pentapeptide-1 是一种五肽。Acetyl pentapeptide-1 与其他寡肽结合可增强皮肤屏障功能。

  • CAS Number: 97530-32-0
  • MF: C32H51N9O10
  • MW: 721.802
  • Catalog: Metabolic Disease
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Medicagol

Medicagol, is a natural compound isolated from Medicago sativa[1].

  • CAS Number: 1983-72-8
  • MF: C16H8O6
  • MW: 296.23100
  • Catalog: Others
  • Density: 1.644g/cm3
  • Boiling Point: 552.6ºC at 760mmHg
  • Melting Point: >300℃
  • Flash Point: 288ºC

GenBank AAF44751

GenBank AAF44751 is a synthetic peptide, can be used for the research of biology studies.

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

Bruceantinol A

Bruceantinol A, a natural compound, can be isolated from Brucea javanica seeds[1].

  • CAS Number: 948038-36-6
  • MF: C29H36O13
  • MW: 592.588
  • Catalog: Others
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 839.2±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 274.1±27.8 °C

PENITREM A

Penitrem A is an indole diterpene neurotoxic alkaloid produced by Penicillium, acts as a selective BK channel antagonist with antiproliferative and anti-invasive activities against multiple malignancies. Penitrem A increases the spontaneous release of endogenous glutamate, gamma-aminobutyric acid (GABA) and aspartate from cerebrocortical synaptosomes, and induces tremorgenic syndromes in animals[1][2].

  • CAS Number: 12627-35-9
  • MF: C37H44ClNO6
  • MW: 634.201
  • Catalog: Cancer
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

carbamazepine-10,11-epoxide

Carbamazepine 10,11-epoxide is an orally active metabolite of Carbamazepine (HY-B0246). Carbamazepine has anticonvulsant effect. Carbamazepine can be used for the research of seizures[1].

  • CAS Number: 36507-30-9
  • MF: C15H12N2O2
  • MW: 252.26800
  • Catalog: Neurological Disease
  • Density: 1.377g/cm3
  • Boiling Point: 390.2ºC at 760mmHg
  • Melting Point: 204-206ºC
  • Flash Point: 189.8ºC

7-Methoxyneochamaejasmine A

7-Methoxyneochamaejasmine A (compound 4) is a compound that can be found in Stellera chamaejasme L[1].

  • CAS Number: 402828-38-0
  • MF: C31H24O10
  • MW: 556.52
  • Catalog: Others
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 906.6±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 302.8±27.8 °C

N-Benzyllinolenamide

N-​Benzyllinolenamide is a natural macamide isolated from Lepidium meyenii, acts as an inhibitor of fatty acid amide hydrolase (FAAH) with an IC50 of 41.8 μM[1].

  • CAS Number: 883715-18-2
  • MF: C25H37NO
  • MW: 367.56700
  • Catalog: FAAH
  • Density: 0.943±0.06 g/cm3 (20 ºC,760 mmHg), 计算值
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

OU749

OU749 is a potent γ-glutamyl transpeptidase (GGT) inhibitor with a Ki value of 17.6 µM. OU749 shows cytotoxicity[1].

  • CAS Number: 519170-13-9
  • MF: C16H15N3O3S2
  • MW: 361.44
  • Catalog: Cancer
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 565.6±52.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 295.9±30.7 °C

Cimigenol

Cimigenol is an active compound isolated from Cimicifuga, with potent anti-tumor activity[1].

  • CAS Number: 3779-59-7
  • MF: C30H48O5
  • MW: 488.69900
  • Catalog: Cancer
  • Density: 1.22g/cm3
  • Boiling Point: 610.6ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 323.1ºC

(R)​-​CR8

(R)​-​CR8 (CR8), a second-generation analog of Roscovitine, is a potent CDK1/2/5/7/9 inhibitor. (R)​-​CR8 (CR8) inhibits CDK1/cyclin B (IC50=0.09 μM), CDK2/cyclin A (0.072 μM), CDK2/cyclin E (0.041 μM), CDK5/p25 (0.11 μM), CDK7/cyclin H (1.1 μM), CDK9/cyclin T (0.18 μM) and CK1δ/ε (0.4 μM). (R)​-​CR8 (CR8) induces apoptosis and has neuroprotective effect[1][2].

  • CAS Number: 294646-77-8
  • MF: C24H29N7O
  • MW: 431.533
  • Catalog: Apoptosis
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 671.4±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 359.8±34.3 °C

UDP-xylose disodium

UDP-xylose disodium is a nature product that could be isolated from Cryptococcus laurentii (N RRL Y-1401). UDP-xylose disodium is a metabolite in the nucleotide sugar metabolism[1].

  • CAS Number: 108320-89-4
  • MF: C14H22N2Na2O16P2
  • MW: 582.26
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

HSP90-IN-13

HSP90-IN-13 (compound 5k) is a highly potent HSP90 pan inhibitor with an IC50 value of 25.07 nM. HSP90-IN-13 has multi-target activity against EGFR, VEGFR-2 and Topoisomerase-2. HSP90-IN-13 causes cell cycle arrest at G2/M phase and induces apoptosis of MCF-7 cells through mitochondrial-mediated pathway[1].

  • CAS Number: 2446055-29-2
  • MF: C26H21N5O3S
  • MW: 483.54
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

CTP-NBD

CTP-NBD is a cell permeable specific NFκB peptide inhibitor. CTP-NBD could be used in colitis study[1][2]

  • CAS Number: 1268513-27-4
  • MF: C121H194N46O32
  • MW: 2805.12
  • Catalog: Inflammation/Immunology
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

c-met-IN-1

c-met-IN-1 (compound 16) is a potent and selective c-Met inhibitor, with IC50 of 1.1 nM, with antitumor activity.[1].

  • CAS Number: 2084836-84-8
  • MF: C35H37FN6O5
  • MW: 640.70
  • Catalog: c-Met/HGFR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

DS-1971a

DS-1971a is a potent, selective, and orally active NaV1.7 inhibitor, with IC50s of 22.8 and 59.4 nM for hNaV1.7 and mNaV1.7, respectively. DS-1971a exerts analgesic effects[1].

  • CAS Number: 1450595-86-4
  • MF: C20H21ClFN5O3S
  • MW: 465.93
  • Catalog: Sodium Channel
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Azido-PEG8-CH2CO2H

N3-PEG8-CH2COOH is a PEG-based PROTAC linker can be used in the synthesis of PROTACs[1].

  • CAS Number: 1343472-07-0
  • MF: C18H35N3O10
  • MW: 453.485
  • Catalog: PROTAC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Sulfurol

4-Methyl-5-thiazoleethanol, a natural sulfur-containing flavor compound, is a thiazole precursor[1][2].

  • CAS Number: 137-00-8
  • MF: C6H9NOS
  • MW: 143.20
  • Catalog: Infection
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 272.4±0.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 109.7±23.2 °C