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

TRV-130

Oliceridine (TRV130) is a novel mu opioid receptor (MOR) agonist that preferentially activates G-protein versus β-arrestin signaling pathways coupled to MORs.

  • CAS Number: 1401028-24-7
  • MF: C22H30N2O2S
  • MW: 386.55100
  • Catalog: Opioid Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

(3β)-3-Hydroxyolean-12-en-28-al

Oleanolic aldehyde is an antimicrobial compound used to inhibit oral bacteria. Oleanolic aldehyde inhibits Streptococcus mutans and Porphyromonas gingivalis, which are associated with dental caries and periodontal disease, with minimum inhibitory concentrations (MICs) of 488 μg/mL and 250 μg/mL, respectively[1].

  • CAS Number: 17020-22-3
  • MF: C30H48O2
  • MW: 440.701
  • Catalog: Bacterial
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 516.5±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 218.4±22.7 °C

Thiophanat-ethyl-d10

Thiophanat-ethyl-d10 is the deuterium labeled Thiophanat-ethyl[1].

  • CAS Number: 1398066-16-4
  • MF: C14H8D10N4O4S2
  • MW: 380.51
  • Catalog: Others
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Risocaine

Risocaine is a local anesthetic[1].

  • CAS Number: 94-12-2
  • MF: C10H13NO2
  • MW: 179.21600
  • Catalog: Endocrinology
  • Density: 1.102g/cm3
  • Boiling Point: 323.3ºC at 760 mmHg
  • Melting Point: 75-80 °C
  • Flash Point: 174.3ºC

Yadanzioside C

Yadanzioside C is a quassinoid glucoside found in seeds of Brucea amarissima[1].

  • CAS Number: 95258-16-5
  • MF: C34H46O17
  • MW: 726.71900
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

7-(Butyn-2-yl)-7,8-dihydro-8-oxo-9-(β-D-xylofuranosyl)guanine

7-(Butyn-2-yl)-7,8-dihydro-8-oxo-9-(β-D-xylofuranosyl)guanine 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: 2389988-33-2
  • MF: C14H17N5O6
  • MW: 351.31
  • Catalog: Nucleoside Antimetabolite/Analog
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

7,8,9,10-Tetrahydrobenzo[pqr]tetraphen-7-ol

7,8,9,10-Tetrahydrobenzo[a]pyren-7-ol is a benzopyrene derivative that is activated by hepatic cytosol into electrophilic sulfuric acid esters[1], which are capable of forming covalent DNA adducts and inducing mutations[2].

  • CAS Number: 6272-55-5
  • MF: C20H16O
  • MW: 272.340
  • Catalog: Cancer
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 508.5±19.0 °C at 760 mmHg
  • Melting Point: 142-144ºC(lit.)
  • Flash Point: 189.2±13.7 °C

Ethyl glycylmethioninate hydrochloride

Ethyl glycylmethioninate hydrochloride is a Methionine (HY-13694) derivative[1].

  • CAS Number: 1397000-76-8
  • MF: C9H19ClN2O3S
  • MW: 270.78
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Glufosinate ammonium

Glufosinate ammonium, a phosphinic acid analogue of glutamic acid, is an herbicide which is converted by plant cells into PT (L-phosphinothricin). Glufosinate ammonium exerts neurotoxic activity[1][2].

  • CAS Number: 77182-82-2
  • MF: C5H15N2O4P
  • MW: 215.18800
  • Catalog: Neurological Disease
  • Density: N/A
  • Boiling Point: 519.1ºC at 760 mmHg
  • Melting Point: 210°C
  • Flash Point: 100 °C

Daturaolone

Daturaolone is a natural triterpenoid with anti-inflammatory and antinociceptive potentials. Daturaolone displays a COX-1 inhibitory activity[1].

  • CAS Number: 41498-80-0
  • MF: C30H48O2
  • MW: 440.70
  • Catalog: COX
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

LAROTAXEL TAX-109 109881 XRP-9881 RPR-109881A

Larotaxel (dihydrate) (XRP9881 (dihydrate)), a new taxane compound prepared by partial synthesis from 10-deacetyl baccatin III, is active against tumors[1].

  • CAS Number: 192573-38-9
  • MF: C45H57NO16
  • MW: 867.93100
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Dicamba-5-aminopentanoic acid

Dicamba-5-aminopentanoic acid (DCc) is an immunizing and heterologous hapten, designed using the carboxylic acid group of dicamba to introduce a spacer arm for a better exposure of the herbicide's structure[1].

  • CAS Number: 2339488-53-6
  • MF: C13H15Cl2NO4
  • MW: 320.17
  • Catalog: Inflammation/Immunology
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Murrayone

Murrayone, a coumarin-containing compound extracted from M. paniculata, is the most bioactive substance in this species and is a cancer metastasis chemopreventive agent based on its unique pharmacological properties[1].

  • CAS Number: 19668-69-0
  • MF: C15H14O4
  • MW: 258.269
  • Catalog: Cancer
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 452.8±45.0 °C at 760 mmHg
  • Melting Point: 130℃
  • Flash Point: 203.4±28.8 °C

Prolyl Hydroxylase inhibitor 1

Prolyl Hydroxylase inhibitor 1 (Compound 15i) is an orally active hypoxia inducible factor (HIF)-prolyl hydroxylase (PHD) inhibitor with an IC50 of 62.23 nM[1]. Antianemia agent[1].

  • CAS Number: 2205125-60-4
  • MF: C19H18ClN5O4
  • MW: 415.83
  • Catalog: HIF/HIF Prolyl-Hydroxylase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

KDM5-C70

KDM5-C70 is an ethyl ester derivative of KDM5-C49 and a potent, cell-permeable and pan-KDM5 histone demethylase inhibitor. KDM5-C70 has an antiproliferative effect in myeloma cells, leading to genome-wide elevation of H3K4me3 levels[1][2].

  • CAS Number: 1596348-32-1
  • MF: C17H28N4O3
  • MW: 336.429
  • Catalog: Histone Demethylase
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 466.6±45.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 236.0±28.7 °C

(+)-lyoniresinol-3a-O-β-glucoside

(+)-Lyoniresinol 3α-O-β-D-glucopyranoside (Compound 1) is a natural product that can be isolated from the bark of Aegle marmelos CORREA[1].

  • CAS Number: 87585-32-8
  • MF: C28H38O13
  • MW: 582.59
  • Catalog: Others
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 797.2±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 435.9±32.9 °C

ABT 594 hydrochloride

Tebanicline hydrochloride (ABT594 hydrochloride) is a nAChR modulator with potent, orally effective analgesic activity. It inhibits the binding of cytisine to α4β2 neuronal nAChRs with a Ki of 37 pM.

  • CAS Number: 203564-54-9
  • MF: C9H12Cl2N2O
  • MW: 235.11000
  • Catalog: nAChR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Ethyl oxophenylacetate

Ethyl phenylglyoxylate (Ethyl benzoylformate; Phenylglyoxylic acid ethyl ester) is the ethyl ester of phenylglyoxylic acid, used as a synthetic reagent[1].

  • CAS Number: 1603-79-8
  • MF: C10H10O3
  • MW: 178.185
  • Catalog: Others
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 256.5±0.0 °C at 760 mmHg
  • Melting Point: 97ºC
  • Flash Point: 111.4±15.9 °C

Antimalarial agent 12

Antimalarial agent 12 (compound R-3b) is a potent antimalarial agent. Antimalarial agent 12 shows growth inhibition on P. falciparum Dd2 Strain (EC50=155 nM), 3D7 strain (EC50=136 nM). Antimalarial agent 12 has CC50 values of 10,000 to 50,000 nM for HEK-293 and hPHep cell lines. Antimalarial agent 12 has a MIC of >250,000 nM for Escherichia coli[1].

  • CAS Number: 2715225-58-2
  • MF: C26H18BrClN2O2
  • MW: 505.79
  • Catalog: Infection
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

INCB 8761

(Rac)-PF-4136309 is an isoform of PF-4136309 (HY-13245), which is a potent, selective, and orally bioavailable CCR2 antagonist, with IC50s of 5.2 nM, 17 nM and 13 nM for human, mouse and rat CCR2.

  • CAS Number: 857679-55-1
  • MF: C29H31F3N6O3
  • MW: 568.59
  • Catalog: CCR
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 712.2±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 384.5±32.9 °C

Dermaseptin-B9

Dermaseptin-B9 is an antimicrobial peptide isolated from frogs of the Phyllomedusinae subfamily[1].

  • CAS Number: 1235883-50-7
  • MF: C139H236N38O40S
  • MW: 3111.66
  • Catalog: Infection
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Suplatast Tosilate

Suplatast tosilate(IPD 1151T) is a Th2 cytokine inhibitor that attenuates IL-2, IL-5 and IL-13 production and has no effect on IFN-γ production. IC50 value:Target: Th2 cytokine inhibitorSuplatast Tosilate acts as an immunoregulator that suppresses IgE production, eosinophil infiltration and histamine release. Suplatast Tosilate(IPD 1151T) exhibits antiasthmatic, anti-inflammatory and antifibrotic activity in vivo and is orally active.

  • CAS Number: 94055-76-2
  • MF: C23H33NO7S2
  • MW: 499.641
  • Catalog: Interleukin Related
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: 84-87ºC
  • Flash Point: N/A

Endothelial lipase inhibitor-1

Endothelial lipase inhibitor-1 is a potent endothelial lipase inhibitor with an IC50 of 49 nM.

  • CAS Number: 1466427-02-0
  • MF: C22H22N4O4
  • MW: 406.43
  • Catalog: Cardiovascular Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Midodrine

Midodrine is an α1-receptor agonist, for the treatment of dysautonomia and orthostatic hypotension.

  • CAS Number: 42794-76-3
  • MF: C12H18N2O4
  • MW: 254.28200
  • Catalog: Neurological Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

13Z,16Z-Docosadienoic acid

13Z,16Z-Docosadienoic acid, a ω-6 polyunsaturated fatty acid, possesses anti-borreliae effect. 13Z,16Z-Docosadienoic acid, as a long-chain fatty acid (LCFA), is a free fatty acid receptor 4 (FFAR4 or GPR120, a LCFA receptor) agonist[1].

  • CAS Number: 17735-98-7
  • MF: C22H40O2
  • MW: 336.55
  • Catalog: GPR120
  • Density: 0.9±0.1 g/cm3
  • Boiling Point: 456.3±14.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 352.9±15.2 °C

PLB-1001

Bozitinib (PLB-1001) is a highly selective c-MET kinase inhibitor with blood-brain barrier permeability. Bozitinib (PLB-1001) is a ATP-competitive small-molecule inhibitor, binds to the conventional ATP-binding pocket of the tyrosine kinase superfamily[1].

  • CAS Number: 1440964-89-5
  • MF: C20H15F3N8
  • MW: 424.38
  • Catalog: c-Met/HGFR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Casanthranol

Casanthranol is a concentrated mixture of anthranol glycosides from cascara sagrada (dried bark of Rhamnus p.) and used as a laxative in constipation and various medical conditions, stimulant laxative Casanthranol encourages bowel movements by acting on the intestinal wall to increase muscle contractions[1].

  • CAS Number: 8024-48-4
  • MF: C21H22O10
  • MW: 434.39300
  • Catalog: Metabolic Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

KN-92

KN-92 is an inactive derivative of KN-93. KN-93 is a selective inhibitor of Ca2+/calmodulin-dependent kinase II (CaMKII), competitively blocking CaM binding to the kinase (Ki = 370 nM). IC50 value:Target: KN-92 is intended to be used as a control compound in studies designed to elucidate the antagonist activities of KN-93. KN-93 inhibits histamine-induced aminopyrine uptake in parietal cells (IC50 = 300 nM). KN-93 has been used to implicate roles for CaMKII in Ca2+-induced Ca2+ release in cardiac myocytes, constitutive phosphorylation of 5-lipoxygenase in 3T3 cells, and Ca2+-dependent activation of HIF-1α in colon cancer cell.

  • CAS Number: 176708-42-2
  • MF: C24H25ClN2O3S
  • MW: 456.985
  • Catalog: CaMK
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 602.1±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 317.9±34.3 °C

(-)-Catechin gallate(CG)

(-)-Catechin gallate is a minor constituent in green tea catechins. (-)-Catechin gallate inhibits the activity of COX-1 and COX-2 enzymes.

  • CAS Number: 130405-40-2
  • MF: C22H18O10
  • MW: 442.372
  • Catalog: Cancer
  • Density: 1.8±0.1 g/cm3
  • Boiling Point: 861.7±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 305.0±27.8 °C

Vogeloside

Vogeloside is an iridoid that can be isolated from the roots of Triosteum pinnatifidum. Vogeloside inhibits nitric oxide production in LPS-activated macrophages[1].

  • CAS Number: 60077-47-6
  • MF: C17H24O10
  • MW: 388.37
  • Catalog: Inflammation/Immunology
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A