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

2',3'-cGAMP-C2-SH

2',3'-cGAMP-C2-SH is a ADC cytotoxin that is extracted from patent US20210015941, example 24[1].

  • CAS Number: 2133823-39-7
  • MF: C22H28N10O12P2S
  • MW: 718.53
  • Catalog: ADC Cytotoxin
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Resolvin D3

Resolvin D3 (RvD3) is a docosahexaenoic acid (DHA) derived mediator. Resolvin D3 is dysregulated in arthritis and reduces arthritic inflammation[1][2].

  • CAS Number: 916888-47-6
  • MF: C22H32O5
  • MW: 376.49
  • Catalog: Inflammation/Immunology
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

VXc-486

VXc-486 is a gyrase B inhibitor, with bactericidal activity. VXc-486 potently inhibits multiple drug-sensitive isolates and drug-resistant isolates of Mycobacterium tuberculosis, with MICs of 0.03 to 0.30 μg/ml and 0.08 to 5.48 μg/ml, respectively[1].

  • CAS Number: 1384984-18-2
  • MF: C21H25FN6O3
  • MW: 428.460
  • Catalog: Bacterial
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Rhoeadine

Rhoeadine is an alkaloid. Rhoeadine is derived from natural Papaver setigerum[1].

  • CAS Number: 2718-25-4
  • MF: C21H21NO6
  • MW: 383.39
  • Catalog: Others
  • Density: 1.45g/cm3
  • Boiling Point: 489.3ºC at 760 mmHg
  • Melting Point: 222ºC
  • Flash Point: 142.9ºC

4-(N,N-dihexadecyl)amino-7-nitrobenz-2-oxa-1,3-diazole

NBD Dihexadecylamine is a fluorescent probe used for labeling phospholipids.

  • CAS Number: 117056-66-3
  • MF: C38H68N4O3
  • MW: 628.97
  • Catalog: Others
  • Density: 0.986g/cm3
  • Boiling Point: 695.2ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 374.3ºC

PCAF-IN-2

PCAF-IN-2 (compound 17) is a potent PCAF inhibitor with an IC50 value of 5.31 µM. PCAF-IN-2 shows anti-tumour activity. CAF-IN-2 induces apoptosis and arrest the cell cycle at the G2/M phase[1].

  • CAS Number: 56173-05-8
  • MF: C10H7F3N6
  • MW: 268.20
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

tilmicosin

Tilmicosin is a macrolide antibiotic, is used in veterinary medicine for the treatment of bovine respiratory disease and ovine respiratory disease associated with Mannheimia (Pasteurella) haemolytica.

  • CAS Number: 108050-54-0
  • MF: C46H80N2O13
  • MW: 869.133
  • Catalog: Bacterial
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 926.6±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 514.2±34.3 °C

Atractylenolide III

Atractylenolide III is a major component of Atractylodes rhizome can induce apoptosis of the lung carcinoma cells.IC50 value:Target: Anticancer natural compoundin vitro: ATL-III inhibited cell growth, increased lactate dehydrogenase release and modulated cell cycle on human lung carcinoma A549 cells. ALT-III induced the activation of caspase-3 and caspase-9 and cleavage of poly-(ADP)-ribose polymerase. ATL-III induced the release of cytochrome c, upregulation of bax expression, and translocation of apoptosis-inducing factor [1]. Atractylenolide II did not show cytoprotective effects, but oral administration of atractylenolide III dose-dependently prevented ethanol-induced PRGM cell death and cell membrane damage. The EC50 values were 0.27 and 0.34 mm, respectively [2]. Against adult D. pteronyssinus, atractylenolide III (LD50, 73.8 mg/m2) and atractylon (72.1 mg/m2) were eight times more active than Deet and 2.5-fold more toxic than dibutyl phthalate [3].in vivo: In the in-vivo assay, atractylenolide III 10 mg/kg significantly reduced 70% ethanol-induced Wistar rat gastric ulcer. Atractylenolide III could inhibit matrix metalloproteinase (MMP)-2 and MMP-9 expression through upregulation of tissue inhibitors of metalloproteinase from the gastric ulcerated tissues [2].

  • CAS Number: 73030-71-4
  • MF: C15H20O3
  • MW: 248.318
  • Catalog: Cancer
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 424.6±45.0 °C at 760 mmHg
  • Melting Point: 200-201ºC
  • Flash Point: 181.1±21.5 °C

Cefetamet Pivoxil

Cefetamet pivoxyl is a cephalosporin antibiotic. Cefetamet pivoxyl inhibits 355 enteropathogens Keime, Gram-negative bacteria (ausgenommen Pseudomonas aeruginosa) and Legionella pneumophila[1].

  • CAS Number: 65243-33-6
  • MF: C20H25N5O7S2
  • MW: 511.57
  • Catalog: Bacterial
  • Density: 1.55 g/cm3
  • Boiling Point: N/A
  • Melting Point: 158-160ºC
  • Flash Point: N/A

Fmoc-D-4-Fluorophe

Fmoc-D-Phe(4-F)-OH is a phenylalanine derivative[1].

  • CAS Number: 177966-64-2
  • MF: C24H20FNO4
  • MW: 405.418
  • Catalog: Others
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 623.9±55.0 °C at 760 mmHg
  • Melting Point: 180ºC
  • Flash Point: 331.1±31.5 °C

Ceftizoxime Sodium

Ceftizoxime sodium (SKF-88373) is third generation cephalosporin effective against Gram-negative and Gram-positive bacteria. It binds penicillin-binding proteins (PBPs) and inhibits the bacterial cell wall synthesis.

  • CAS Number: 68401-82-1
  • MF: C13H12N5NaO5S2
  • MW: 405.385
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

3,4,6-Tri-O-acetyl-D-glucal-13C-1

3,4,6-Tri-O-acetyl-D-glucal-13C-1 is the 13C labeled 3,4,6-Tri-O-acetyl-D-glucal[1].

  • CAS Number: 478529-36-1
  • MF: C12H16O7
  • MW: 273.24400
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

AMPK activator 2

AMPK activator 2 (compound 7a), a fluorine-containing proguanil derivative, up-regulates AMPK signal pathway and downregulates mTOR/4EBP1/p70S6K. AMPK activator 2 inhibits proliferation and migration of human cancer cell lines (UMUC3, T24, A549)[1].

  • CAS Number: 2410961-69-0
  • MF: C13H18F3N5
  • MW: 301.31
  • Catalog: AMPK
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

scopolin

Scopolin is a coumarin isolated from Arabidopsis thaliana (Arabidopsis) roots[1]. Scopolin attenuated hepatic steatosis through activation of SIRT1-mediated signaling cascades[2].

  • CAS Number: 531-44-2
  • MF: C16H18O9
  • MW: 354.309
  • Catalog: Sirtuin
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 650.2±55.0 °C at 760 mmHg
  • Melting Point: 217ºC
  • Flash Point: 241.5±25.0 °C

3'-Adenylic acid

Adenosine 3′-monophosphate (3′-AMP), a nucleotide, is a cyclic AMP production agonist[1].

  • CAS Number: 84-21-9
  • MF: C10H14N5O7P
  • MW: 347.221
  • Catalog: Nucleoside Antimetabolite/Analog
  • Density: 2.3±0.1 g/cm3
  • Boiling Point: 815.5±75.0 °C at 760 mmHg
  • Melting Point: -210ºC (dec.)
  • Flash Point: 447.0±37.1 °C

TAS-114

TAS-114 is a dual dUTPase/dihydropyrimidine dehydrogenase (DPD) inhibitor, can improving the therapeutic efficacy of fluoropyrimidine[1].

  • CAS Number: 1198221-21-4
  • MF: C21H29N3O6S
  • MW: 451.54
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Nudiposide

Nudiposide is a aromatic glucoside that can be isolated from Berchemia racemosa[1].

  • CAS Number: 62058-46-2
  • MF: C27H36O12
  • MW: 552.57
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

BAY 8002

BAY-8002 is a potent, selective, orally active inhibitor of monocarboxylate transporter 1 (MCT1), with an IC50 of 85 nM in the MCT1-expressing DLD-1 cells, displays excellent selectivity against MCT4. Anti-tumor activity[1].

  • CAS Number: 724440-27-1
  • MF: C20H14ClNO5S
  • MW: 415.85
  • Catalog: Monocarboxylate Transporter
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

GNE-6776

GNE-6776 is a selective USP7 inhibitor.

  • CAS Number: 2009273-71-4
  • MF: C20H20N4O2
  • MW: 348.4
  • Catalog: Deubiquitinase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

EML4-ALK kinase inhibitor 1

EML4-ALK kinase inhibitor 1 is a potent oral active inhibitor of echinoderm microtubule-associated protein-like 4-anaplastic lymphoma kinase (EML4-ALK), with an IC50 of 1 nM[1].

  • CAS Number: 1373409-08-5
  • MF: C31H48N8O3
  • MW: 580.76
  • Catalog: ALK
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

SANT-1

SANT-1 is a potent Smo antagonist, inhibits Hedgehog signaling, with IC50s of 20 nM and 30 nM in Shh-LIGHT2 and SmoA1-LIGHT2 assay, respectively[1].

  • CAS Number: 304909-07-7
  • MF: C23H27N5
  • MW: 373.49
  • Catalog: Hedgehog
  • Density: 1.13g/cm3
  • Boiling Point: 547.4ºC at 760mmHg
  • Melting Point: 104-106ºC
  • Flash Point: 284.8ºC

Caplacizumab

Caplacizumab (Cablivi) is a humanized anti-von Willebrand factor (vWF) nanobody. Caplacizumab inhibits the vWF-mediated platelet adhesion and prevents further microthrombi formation. Caplacizumab can be used for the research of thrombotic thrombocytopenic purpura (TTP)[1].

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

MID-1

MID-1 is an inhibitor of MG53-IRS-1 (Mitsugumin 53-Insulin Receptor Substrate-1) interaction. MID-1 disrupts molecular association of MG53 with IRS-1 and abolishes MG53-induced IRS-1 ubiquitination and degradation in skeletal muscle, leading to elevated IRS-1 expression level and increased insulin signaling and glucose uptake[1].

  • CAS Number: 312608-54-1
  • MF: C12H11N3O4S
  • MW: 293.29844
  • Catalog: Metabolic Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

a-FABP-IN-1

a-FABP-IN-1 (Compound 5g) is a potent and selective human adipocyte fatty acid-binding protein (a-FABP) inhibitor with a Ki below 1.0 nM. a-FABP-IN-1 inhibits the pro-inflammatory cytokine production[1].

  • CAS Number: 1310361-52-4
  • MF: C29H23ClN2O3S
  • MW: 515.02
  • Catalog: FABP
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 654.3±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 349.5±31.5 °C

Benzoyloxypeoniflorin

Benzoyloxypaeoniflorin, isolated from the root of Paeonia suffruticosa, is a tyrosinase inhibitor against mushroom tyrosinase with IC50 of 0.453 mM. Benzoyloxypaeoniflorin is NF-κB Inhibitor and contributes to improving blood circulation through its inhibitory effect on both platelet aggregation and blood coagulation[1][2][3].

  • CAS Number: 72896-40-3
  • MF: C30H32O13
  • MW: 600.567
  • Catalog: Tyrosinase
  • Density: 1.6±0.0 g/cm3
  • Boiling Point: 789.1±0.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 258.6±0.0 °C

5’-O-(4,4’-Dimethoxytrityl)-2’-beta-C-methyl adenosine

5’-O-(4,4’-Dimethoxytrityl)-2’-beta-C-methyl adenosine is an adenosine analog. Adenosine analogs mostly act as smooth muscle vasodilators and have also been shown to inhibit cancer progression. Its popular products are adenosine phosphate, Acadesine (HY-13417), Clofarabine (HY-A0005), Fludarabine phosphate (HY-B0028) and Vidarabine (HY-B0277)[1].

  • CAS Number: 2305415-95-4
  • MF: C32H33N5O6
  • MW: 583.63
  • Catalog: Nucleoside Antimetabolite/Analog
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Viridicatumtoxin

Viridicatumtoxin is a new mycotoxin extracted from Penicillium viridicatum with a LD50 of 122.4 mg/kg in rats.

  • CAS Number: 39277-41-3
  • MF: C30H31NO10
  • MW: 565.56800
  • Catalog: Infection
  • Density: 1.64g/cm3
  • Boiling Point: 711.8ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 384.3ºC

VPC-13789

VPC-13789 is a potent, selective, and orally bioavailable antiandrogen. VPC-13789 can be used for the research of castration-resistant prostate cancer (CRPC) therapeutics. VPC-13789 inhibits androgen receptor (AR) transcriptional activity in LNCaP cells (IC50=0.19 μM)[1].

  • CAS Number: 2761146-51-2
  • MF: C21H16F3N3O
  • MW: 383.37
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

MPG, HIV related

MPG, HIV related is 27-aa peptide, derived from both the nuclear localisation sequence of SV40 large T antigen and the fusion peptide domain of HIV-1 gp41 and is a potent delivery agent for the generalised delivery of nucleic acids and of oligonucleotides into cultured cells.

  • CAS Number: 395069-92-8
  • MF: C126H201N35O33S
  • MW: 2766.22
  • Catalog: Peptides
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

teriflunomide

(E/Z)-Teriflunomide ((E/Z)-A77 1726) is the active metabolite of Leflunomide (HY-B0083). Leflunomide is an immunomodulatory agent that may exert effects by inhibiting the mitochondrial enzyme dihydroorotate dehydrogenase (DHODH). Leflunomide can be used for the research of rheumatoid arthritis (RA)[1].

  • CAS Number: 108605-62-5
  • MF: C12H9F3N2O2
  • MW: 270.207
  • Catalog: Infection
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 363.0±42.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 173.3±27.9 °C