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

Asimadoline

Asimadoline is a potent κ opioid receptor agonist with IC50s of 5.6 and 1.2 nM for guinea pig and human recombinant κ opioid receptor, respectively.

  • CAS Number: 153205-46-0
  • MF: C27H30N2O2
  • MW: 414.539
  • Catalog: Opioid Receptor
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 605.8±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 320.2±31.5 °C

Adenosine receptor inhibitor 2

Adenosine receptor inhibitor 2 (compound 14b) is a potent AR (adenosine receptor) inhibitor. Adenosine receptor inhibitor 2 shows dual affinity toward A1/A2A ARs with higher affinity for the A1- than the A2AAR. Adenosine receptor inhibitor 2 has Ki values of 52.2 nM for the A1AR and 167 nM for the A2AAR[1].

  • CAS Number: 2550401-76-6
  • MF: C17H20BrN5O2
  • MW: 406.28
  • Catalog: Adenosine Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Bim 21009

Bim 21009 is an inhibitor of gonadorelin.

  • CAS Number: 106881-54-3
  • MF: C74H92ClN17O13
  • MW: 1463.08
  • Catalog: GNRH Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

BI-853520

BI 853520 (IN-10018) is an orally active and potent focal adhesion kinase (FAK) inhibitor (recombinant FAK IC50=1 nM). BI 853520 shows anti-proliferative activity against cancer cells[1][2].

  • CAS Number: 1227948-82-4
  • MF: C28H28F4N6O4
  • MW: 588.55
  • Catalog: FAK
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

(S)-2-(tert-butoxycarbonyl)isoxazolidine-3-carboxylic acid

(S)-2-(tert-Butoxycarbonyl)isoxazolidine-3-carboxylic Acid is a Glycine (HY-Y0966) derivative[1].

  • CAS Number: 1372202-46-4
  • MF: C9H15NO5
  • MW: 217.219
  • Catalog: Others
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 342.2±31.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 160.8±24.8 °C

Piptocarphin F

Piptocarphin F (Compound 5) is a sesquiterpene lactone. Piptocarphin F shows cytotoxic activity on human leukemia cell lineHL-60 (IC50=5.69 μmol*L-1)[1].

  • CAS Number: 76215-53-7
  • MF: C21H28O8
  • MW: 408.44
  • Catalog: Cancer
  • Density: 1.3g/cm3
  • Boiling Point: 573.4ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 197ºC

KBP-7018

A novel potent, multikinase inhibitor with IC50 of 10, 7.6 and 25 nM for c-Kit, RET and PDGFRβ, respectively; also potently inhibits FLT3, VEGFR2, Fyn, PDGFRα and VEGFR2; shows promising outcomes for the treatments of idiopathic pulmonary fibrosis (IPF).

  • CAS Number: 1613437-66-3
  • MF: C31H30N4O5
  • MW: 538.604
  • Catalog: c-Kit
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Sideritoflavone

Sideritoflavone is a flavonoid. Sideritoflavone can be isolated from Baccharis densiflora. Sideritoflavone is toxic to JIMT-1 breast cancer cells[1].

  • CAS Number: 70360-12-2
  • MF: C18H16O8
  • MW: 360.31
  • Catalog: Cancer
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 660.4±55.0 °C at 760 mmHg
  • Melting Point: 212℃ (ethanol )
  • Flash Point: 243.1±25.0 °C

TLR7/8 agonist 7

TLR7/8 agonist 7 (compound 10) is a TLR7/8 agonist. TLR7/8 agonist 7 activates a variety of immune cells and it can be used to synthesize immune stimulating antibody conjugate (ISAC) molecules. TLR7/8 agonist 7 can be used for the research of immunity[1].

  • CAS Number: 2567953-47-1
  • MF: C26H37N7O2
  • MW: 479.62
  • Catalog: Toll-like Receptor (TLR)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Pomalidomide-d4

Pomalidomide-d4 is the deuterium labeled Pomalidomide. Pomalidomide, the third-generation immunomodulatory agent, acts as molecular glue. Pomalidomide interacts with the E3 ligase cereblon and induces degradation of essential Ikaros transcription factors<

  • CAS Number: 1416575-78-4
  • MF: C13H7D4N3O4
  • MW: 277.27
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

8-Br-GTP

8-Br-GTP, a GTP analog, is a competitive FtsZ polymerization and GTPase activity (Ki of 31.8 μM) inhibitor. 8-Br-GTP can be used for nucleic acid modification[1].

  • CAS Number: 23197-98-0
  • MF: C10H15BrN5O14P3
  • MW: 602.07600
  • Catalog: Bacterial
  • Density: 2.89g/cm3
  • Boiling Point: 1354.2ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 772.8ºC

Isoleucyl tRNA synthetase-IN-2

Isoleucyl tRNA synthetase-IN-2 (compound 36a) is a potent and selective isoleucyl-tRNA synthetase (IleRS) inhibitor, with a Ki,app of 114 nM[1].

  • CAS Number: 2494195-61-6
  • MF: C22H33N5O8S
  • MW: 527.59
  • Catalog: Infection
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Zalifrelimab

Zalifrelimab (AGEN1884) is a fully human IgG1 monoclonal antibody targeting CTLA-4 (CTLA-4). Zalifrelimab antagonizes the inhibitory checkpoints of immune cell activation regulated by CTLA-4 signaling[1].

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

ALK5-IN-34

ALK5-IN-34 is an selective orally active activin receptor-like kinase (ALK) inhibitor. ALK5-IN-34 can inhibit the activity of ALK5-IN-34 with an IC50 value of ≤10 nM. ALK5-IN-34 also has inhibitory of tumor growth and can be used for the research of proliferative diseases, such as cancer[1].

  • CAS Number: 2785430-90-0
  • MF: C23H23N7O
  • MW: 413.48
  • Catalog: TGF-beta/Smad
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

CAY10581

CAY10581, a pyranonaphthoquinone derivative, is a highly specific and reversible uncompetitive IDO Inhibitor with an IC50 of 55 nM[1][2].

  • CAS Number: 1018340-07-2
  • MF: C22H21NO4
  • MW: 363.406
  • Catalog: Indoleamine 2,3-Dioxygenase (IDO)
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 548.8±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 285.7±30.1 °C

HER2-IN-13

HER2-IN-13 (Compound 33) is an HER2 inhibitor with an IC50 of 8 nM. HER2-IN-13 also inhibits wt-EGFR with an IC50 of 0.40 μM[1].

  • CAS Number: 2414056-34-9
  • MF: C26H23ClF2N8O3
  • MW: 568.96
  • Catalog: EGFR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Boc-Ala-Gly-OH

(S)-2-(2-((tert-Butoxycarbonyl)amino)propanamido)acetic acid is a Glycine (HY-Y0966) derivative[1].

  • CAS Number: 28782-78-7
  • MF: C10H18N2O5
  • MW: 246.26000
  • Catalog: Others
  • Density: 1.19g/cm3
  • Boiling Point: 484.4ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 246.8ºC

Indirubin-3'-monoxime

Indirubin-3'-monoxime is a potent GSK-3β inhibitor, and weakly inhibits 5-Lipoxygenase, with IC50s of 22 nM and 7.8-10 µM, respectively; Indirubin-3'-monoxime also shows inhibitory activities against CDK5/p25 and CDK1/cyclin B, with IC50s of 100 and 180 nM.

  • CAS Number: 160807-49-8
  • MF: C16H11N3O2
  • MW: 277.277
  • Catalog: 5-Lipoxygenase
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 532.2±50.0 °C at 760 mmHg
  • Melting Point: 241 °C
  • Flash Point: 275.7±30.1 °C

Anticancer agent 50

Anticancer agent 50 (compound 6) is a potent ABCB1 efflux pump modulator. Anticancer agent 50 shows cytotoxic effects and antiproliferative effects. Anticancer agent 50 decreases the expression of cyclin D1 and induces p53 expression. Anticancer agent 50 has the potential for the research of T-lymphoma[1].

  • CAS Number: 2487457-15-6
  • MF: C30H32N2O4Se
  • MW: 563.55
  • Catalog: MDM-2/p53
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

JC-171

JC-171 is a selective NLRP3 inflammasome inhibitor that inhibits LPS/ATP-induced IL-1β release from macrophages with IC50 of 8.45 uM; interferes with NLRP3/ASC interaction induced by LPS/ATP stimulation both in vtiro and in vivo; delays the progression and reduces the severity of experimental autoimmune encephalomyelitis (EAE).

  • CAS Number: 2112809-98-8
  • MF: C16H17ClN2O5S
  • MW: 384.831
  • Catalog: NOD-like Receptor (NLR)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Manumycin A

Manumycin A is an antibiotic. Manumycin A acts as a selective, competitive inhibitor of protein farnesyltransferase (FTase) with respect to farnesylpyrophosphate (Ki =1.2 μM), and as a noncompetitive inhibitor with respect to the Ras protein. Manumycin A induces apoptosis and exerts antitumor activity[1] [2][3].

  • CAS Number: 52665-74-4
  • MF: C31H38N2O7
  • MW: 550.643
  • Catalog: Apoptosis
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 863.6±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 476.1±34.3 °C

LIT-001 free base

LIT-001 (LIT001) is the first nonpeptide Oxytocin receptor (OT-R) agonist with EC50 of 55 nM, Emax=96%; efficiently relieved social interaction deficits in Oprm1−/− mice, a mouse model of autism.

  • CAS Number: 2245072-20-0
  • MF: C28H33N7O2S
  • MW: 531.679
  • Catalog: Oxytocin Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

25-Deacetylcucurbitacin A

25-Deacetylcucurbitacin A is a Cucurbitane-Type triterpenoid and has the potential to be an anti-cancer agent and JAK/STAT3 signaling pathway inhibitor[1].

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

PKC-theta inhibitor

PKC-theta inhibitor is a selective PKC-θinhibitor, with an IC50 of 12 nM.

  • CAS Number: 736048-65-0
  • MF: C20H25F3N6O3
  • MW: 454.45
  • Catalog: PKC
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

EGFR-IN-55

EGFR-IN-55 (Compound 8a) is a potent EGFR inhibitor with IC50 values of 70 nM and 3.9 nM against EGFRWT and EGFRL858R/T790M, respectively. EGFR-IN-55 arrests NCI-H1975 cells in G0/G1 phase and shows anticancer activity[1].

  • CAS Number: 2057423-46-6
  • MF: C25H25Cl2N7O2
  • MW: 526.42
  • Catalog: EGFR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

4F 4PP oxalate

4F 4PP (oxalate) is a selective 5-HT2A antagonist with almost as high affinity (Ki= 5.3 nM) as ketanserin but with a much lower affinity for 5-HT2C sites (Ki= 620 nM)[1][2][3][4].

  • CAS Number: 144734-36-1
  • MF: C24H28FNO5
  • MW: 429.48100
  • Catalog: 5-HT Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

(S,E)-Cyclooct-2-enol

(S,E)-Cyclooct-2-enol is a Click Amino Acid that can be used as a linker in the synthesis of PROTAC molecules. TCO-NHS ester contains a TCO group that can undergo an inverse electron demand Diels-Alder reaction (iEDDA) with molecules containing a Tetrazine group.

  • CAS Number: 93301-76-9
  • MF: C8H14O
  • MW: 126.19600
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

NSC31205

Pim-1/2 kinase inhibitor 1 is an orally active pim-1/2 kinase inhibitor. Pim-1/2 kinase inhibitor 1 blocks the ability of Pim kinases to phosphorylate peptides, and inhibits the pim protein kinase directed phosphorylation of 4E-BP1 and p27Kip1. Pim-1/2 kinase inhibitor 1 can be used in study of cancer, especially prostate cancer[1].

  • CAS Number: 6320-51-0
  • MF: C11H9NO3S
  • MW: 235.25900
  • Catalog: Pim
  • Density: 1.391g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

3-O-Acetyl-11-hydroxy-beta-boswellic acid

3-O-Acetyl-11-hydroxy-beta-boswellic acid is a potent 5-lipoxygenase (5-LO) inhibitor[1].

  • CAS Number: 146019-25-2
  • MF: C32H50O5
  • MW: 514.746
  • Catalog: 5-Lipoxygenase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: 160-162 °C
  • Flash Point: N/A

Lansiumarin C

Lansiumarin C, a lansiumarin, can be isolated from the branches of Clausena lansium (Rutaceae)[1].

  • CAS Number: 205115-75-9
  • MF: C21H22O5
  • MW: 354.396
  • Catalog: Others
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 544.4±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 283.0±30.1 °C