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

Secalciferol

Secalciferol is a metabolite of Vitamin D, a possibly anti-inflammatory steroid which is involved in bone ossification. IC50 value:Target: In addition, it is known that Secalciferol mediates calcium and phosphorus homeostasis. Also Secalciferol inhibits calcium channels in osteosarcoma cells via suppressing the effects of 1α, 25-dihydroxyvitamin D3 and testosterone. Alternate studies indicate that Secalciferol can decrease the abundance of p53 and Pi-induced cytochrome c translocation. Furthermore, Secalciferol can increase cell proliferation in resting zone (RC) chondrocytes and inhibits matrix enzymes by possibly inhibiting the degradation of the matrix.

  • CAS Number: 55721-11-4
  • MF: C27H44O3
  • MW: 416.637
  • Catalog: VD/VDR
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 571.1±35.0 °C at 760 mmHg
  • Melting Point: 63-65ºC
  • Flash Point: 241.5±20.5 °C

Angelol H

Angelol H is a natural tcompound isolated from Angelica pubescens MAXIM. (Umbelliferae)[1].

  • CAS Number: 83247-73-8
  • MF: C20H24O7
  • MW: 376.400
  • Catalog: Others
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 579.1±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 203.1±23.6 °C

L-R4W2

L-R4W2 is a potent antagonist of vanilloid receptor 1 (VR1, TRPV1), with an IC50 of 0.1 μM. L-R4W2 may act as a potent analgesic[1][2].

  • CAS Number: 206350-79-0
  • MF: C46H71N21O6
  • MW: 1015.18000
  • Catalog: TRP Channel
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Pyruvic acid

Pyruvic acid is an intermediate metabolite in the metabolism of carbohydrates, proteins, and fats.

  • CAS Number: 127-17-3
  • MF: C3H4O3
  • MW: 88.062
  • Catalog: Others
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 165.0±0.0 °C at 760 mmHg
  • Melting Point: 11-12 °C(lit.)
  • Flash Point: 54.3±15.2 °C

Enpp-1-IN-14

ENPP1-IN-2 is a potent Ectonucleotide Pyrophosphatase/Phosphodiesterase-1 (ENPP1) inhibitor with an IC50 value of 32.38 nM for recombinant human ENPP-1. ENPP1-IN-2 has anti-tumor activity[1].

  • CAS Number: 2687222-59-7
  • MF: C15H22ClN5O4S
  • MW: 403.88
  • Catalog: Phosphodiesterase (PDE)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Barnidipine

Barnidipine hydrochloride (Mepirodipine hydrochloride) is an L-type calcium antagonist (CaA) with high affinity for [3H] initrendipine binding sites (Ki=0.21 nmol/l), has selective action against CaA receptors[1].Barnidipine hydrochloride (Mepirodipine hydrochloride) is an antihypertensive drug and acts by the reduction of peripheral vascular resistance secondary to its vasodilatory action[2].

  • CAS Number: 104757-53-1
  • MF: C27H30ClN3O6
  • MW: 527.997
  • Catalog: Calcium Channel
  • Density: N/A
  • Boiling Point: 614.5ºC at 760 mmHg
  • Melting Point: 223-226°C
  • Flash Point: 325.4ºC

ICT5040

ICT5040 is a small molecule CXCR4 antagonist (IC50=3.8 μM). ICT5040 inhibits CXCL12-mediated proliferation and migration, and suppresses CXCL12-induced intracellular calcium mobilisation in U87 glioma cells[1].

  • CAS Number: 215655-21-3
  • MF: C10H8F3N3OS
  • MW: 275.250
  • Catalog: CXCR
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 343.5±52.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 161.5±30.7 °C

Tempol-d17

Tempol-d17 is the deuterium labeled Tempol[1]. Tempol is a general superoxide dismutase (SOD)-mimetic drug that efficiently neutralizes reactive oxygen species (ROS)[2][3].

  • CAS Number: 100326-46-3
  • MF: C9HD17NO2
  • MW: 189.350
  • Catalog: Autophagy
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: 69-71ºC(lit.)
  • Flash Point: N/A

GNE-317

GNE-317 is a PI3K/mTOR inhibitor, is able to cross the blood-brain barrier (BBB).

  • CAS Number: 1394076-92-6
  • MF: C19H22N6O3S
  • MW: 414.481
  • Catalog: Cancer
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 607.6±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 321.3±34.3 °C

Isoastilbin

Isoastilbin is a dihydroflavonol glycoside compound in Rhizoma Smilacis glabrae and Astragalus membranaceus. Isoastilbin inhibits glucosyltransferase (GTase) with an IC50 value of 54.3 μg/mL, and also inhibits tyrosinase activity. Isoastilbin shows neuroprotective, antioxidation, antimicrobial and anti-apoptotic properties and has the potential for Alzheimer’s disease research[1][21][3].

  • CAS Number: 54081-48-0
  • MF: C21H22O11
  • MW: 450.393
  • Catalog: Bacterial
  • Density: 1.7±0.1 g/cm3
  • Boiling Point: 801.1±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 282.9±27.8 °C

CDK7-IN-15

CDK7-IN-15 is a potent inhibitor of CDK7. CDK7-IN-15 is a pyrimidinyl derivative compound. CDK7-IN-15 has the potential for the research of various cancers, especially the cancer with transcriptional dysregulation (extracted from patent CN114249712A, compound 8)[1].

  • CAS Number: 2765676-02-4
  • MF: C21H24F4N6OS
  • MW: 484.51
  • Catalog: CDK
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

16-Methoxystrychnine

16-Methoxystrychnine is a alkaloid[1].

  • CAS Number: 5096-72-0
  • MF: C22H24N2O3
  • MW: 364.43800
  • Catalog: Others
  • Density: 1.41g/cm3
  • Boiling Point: 567.1ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 296.8ºC

2-Amino(2H6)butanoic acid

H-DL-Abu-OH-d6 is the deuterium labeled H-DL-Abu-OH[1].

  • CAS Number: 350820-17-6
  • MF: C4H3D6NO2
  • MW: 109.16
  • Catalog: Cancer
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 215.2±23.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 83.9±22.6 °C

IDO1-IN-22

IDO1-IN-22 (Compound 3) is a IDO1 inhibitor (biochemical hIDO1 IC50: 67.4 nM, HeLa hIDO1 IC50: 17.6 nM). IDO1-IN-22 has excellent antitumor efficacy in LLC xenograft model, as well as desirable pharmacokinetic (PK) profile[1].

  • CAS Number: 2126853-16-3
  • MF: C12H12BrFN6O3
  • MW: 387.16
  • Catalog: Indoleamine 2,3-Dioxygenase (IDO)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Sevasemten

Sevasemten is an allosteric inhibitor of skeletal muscle myosin. Sevasemten exhibits selectively myosin inhibition with IC50s of ≤10 μM (skeletal), >100 μM (cardiac), respectively[1][2].

  • CAS Number: 2417395-15-2
  • MF: C16H11F4N5O2
  • MW: 381.28
  • Catalog: Myosin
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Ceftizoxime

Ceftizoxime is a bacterial inhibitor which acts by interfering with bacterial cell wall synthesis and inhibiting cross-linking of the peptidoglycan.

  • CAS Number: 68401-81-0
  • MF: C13H13N5O5S2
  • MW: 383.403
  • Catalog: Bacterial
  • Density: 1.9±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: 227 °C(dec.)
  • Flash Point: N/A

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

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

  • CAS Number: 478529-35-0
  • MF: C12H16O7
  • MW: 273.24400
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

1-Methyl-5-p-toluoylpyrrole-2-acetic acid

Tolmetin is an orally active and potent COX inhibitor with IC50s of 0.35 µM and 0.82 µM human COX-1 and COX-2, respectively. Tolmetin is a non-steroidal anti-inflammatory drug (NSAID)[1][2].

  • CAS Number: 26171-23-3
  • MF: C15H15NO3
  • MW: 257.284
  • Catalog: COX
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 483.2±40.0 °C at 760 mmHg
  • Melting Point: 156ºC
  • Flash Point: 246.0±27.3 °C

2-Methylpiperazine-d10

2-Methylpiperazine-d10 is the deuterium labeled 2-Methylpiperazine[1].

  • CAS Number: 2363789-19-7
  • MF: C5H2D10N2
  • MW: 110.22
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

AZ 1729

AZ1729 is a novel direct, positive allosteric modulator of fatty acid receptor FFA2 (pEC50=6.9), selectively activates Gi signaling but lacks the capacity to activate FFA2 Gq/G11-mediated signaling pathways; produces stimulation of [35S]GTPγS binding with pEC50 7.23, inhibits β-adrenoreceptor agonist-promoted lipolysis in primary mouse adipocytes and promotes chemotaxis of isolated human neutrophils.

  • CAS Number: 2016864-46-1
  • MF: C18H16FN5OS
  • MW: 369.418
  • Catalog: Metabolic Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

D-64131

D-64131 is a novel inhibitor of Tubulin polymerization that competitively binds with [(3)H]colchicine to αβ-Tubulin. IC50 Value: N/ATarget: Microtubule/Tubulinin vitro: D-64131 is cytotoxic and inhibits tumor cell proliferation in vitro (IC50 = 74 nM). D-64131 prevents growth of tumor models in mice following oral administration in vivo. D-64131 has significant potential in cancer treatment. The proliferation of tumor cells from 12 of 14 different organs and tissues was inhibited with mean IC(50)s of 62 nM by D-64131.in vivo: In animal studies, no signs of systemic toxicity were observed after p.o. dosages of up to 400 mg/kg of D-64131. In xenograft experiments with the human amelanoic melanoma MEXF 989, D-64131 was highly active with treatment resulting in a growth delay of 23.4 days at 400 mg/kg. Therefore, D-64131 and analogues have the potential to be developed for cancer therapy, replacing or supplementing standard therapy regimens with tubulin-targeting drugs from natural sources.

  • CAS Number: 74588-78-6
  • MF: C16H13NO2
  • MW: 251.280
  • Catalog: Microtubule/Tubulin
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 455.2±25.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 229.1±23.2 °C

Mefox

Mefox is a degradation product of folic acid (HY-16637)[1].

  • CAS Number: 79573-48-1
  • MF: C20H23N7O7
  • MW: 473.44
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

CONVALLATOXIN

Convallatoxin is a cardiac glycoside isolated from Adonis amurensis Regel et Radde. Convallatoxin ameliorates colitic inflammation via activation of PPARγ and suppression of NF-κB. Convallatoxin is a P-glycoprotein (P-gp) substrate and recognized Val982 as an important amino acid involved in its transport. Convallatoxin is an enhancer of ligand-induced MOR endocytosis with high potency and efficacy. Anti-inflammatory and anti-proliferative properties[1][2][3].

  • CAS Number: 508-75-8
  • MF: C29H42O10
  • MW: 550.63800
  • Catalog: PPAR
  • Density: 1.41 g/cm3
  • Boiling Point: 757.3ºC at 760 mmHg
  • Melting Point: 235-242ºC
  • Flash Point: 247.1ºC

2-Nitroimidazole

Azomycin is an antibiotic which can be active against aerobic Gram-positive and Gram-negative bacteria.

  • CAS Number: 527-73-1
  • MF: C3H3N3O2
  • MW: 113.075
  • Catalog: Bacterial
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 373.6±25.0 °C at 760 mmHg
  • Melting Point: 287 °C (dec.)(lit.)
  • Flash Point: 179.7±23.2 °C

JTC-801

JTC-801 is a selective opioid receptor-like1 (ORL1) receptor antagonist, binding to ORL1 receptor with a Ki value of 8.2 nM.

  • CAS Number: 244218-51-7
  • MF: C26H26ClN3O2
  • MW: 447.957
  • Catalog: Opioid Receptor
  • Density: N/A
  • Boiling Point: 580.9ºC at 760mmHg
  • Melting Point: 235℃
  • Flash Point: 305.1ºC

DIF-3

DIF-3 reduces the expression levels of cyclin D1 and c-Myc by facilitating their degradation via activation of GSK-3β. DIF-3 inhibits Wnt/β-catenin signaling pathway-related proteins in DLD-1 cells. DIF-3 exerts a strong antiproliferative effect on the human cervical cancer cell line HeLa by inducing cyclin D1 degradation and inhibiting cyclin D1 mRNA expression[1].

  • CAS Number: 113411-17-9
  • MF: C13H17ClO4
  • MW: 272.72500
  • Catalog: CDK
  • Density: 1.24g/cm3
  • Boiling Point: 416.9ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 205.9ºC

Cyclo(D-Ala-L-Pro)

Cyclo(D-Ala-L-Pro) is a cyclodipeptide[1].

  • CAS Number: 36238-64-9
  • MF: C8H12N2O2
  • MW: 168.19300
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Isolupalbigenin

Isolupalbigenin is an inhibitor of NO. Isolupalbigenin has anti-proliferative activity on HL-60 cells with an IC50 of 5.1 μM[1].

  • CAS Number: 162616-70-8
  • MF: C25H26O5
  • MW: 406.47
  • Catalog: NO Synthase
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 621.5±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 212.3±25.0 °C

D-(+)-Trehalose-d14

D-(+)-Trehalose-d14 is the deuterium labeled D-(+)-Trehalose. D-(+)-Trehalose, isolated from Saccharomyces cerevisiae, can be used as a food ingredient and pharmaceutical excipi[1][2].

  • CAS Number: 2028292-31-9
  • MF: C12H8D14O11
  • MW: 356.38
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

VU 0364770

VU0364770 is an allosteric of metabotropic glutamate receptor 4 (mGlu4) modulator, which exhibits a EC50 of 1.1±0.2 μM at human mGlu4.

  • CAS Number: 61350-00-3
  • MF: C12H9ClN2O
  • MW: 232.66600
  • Catalog: Neurological Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A