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

MLN120B

MLN120B is a specific, ATP competitive IKKβ inhibitor with an IC50 of 60 nM.

  • CAS Number: 783348-36-7
  • MF: C19H15ClN4O2
  • MW: 366.801
  • Catalog: IKK
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 545.0±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 283.4±30.1 °C

Galanin Message Associated Peptide (1-41) amide trifluoroacetate salt

Galanin message associated peptide (1-41) amide is a peptide hormone[1].

  • CAS Number: 132699-74-2
  • MF: C206H326N56O64S1
  • MW: 4643.19
  • Catalog: Neurological Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

(2S)-Amino(cyclopropyl)acetic acid

H-Cyclopropyl-Gly-OH is a Glycine (HY-Y0966) derivative[1].

  • CAS Number: 49606-99-7
  • MF: C5H9NO2
  • MW: 115.131
  • Catalog: Others
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 253.5±23.0 °C at 760 mmHg
  • Melting Point: -300ºC
  • Flash Point: 107.1±22.6 °C

Nystose

Nystose is a tetrasaccharide with two fructose molecules linked via beta (1→2) bonds to the fructosyl moiety of sucrose.

  • CAS Number: 13133-07-8
  • MF: C24H42O21
  • MW: 666.578
  • Catalog: Metabolic Disease
  • Density: 1.84±0.1 g/cm3
  • Boiling Point: 1075.7±65.0 °C at 760 mmHg
  • Melting Point: 130-133 ºC
  • Flash Point: 604.3±34.3 °C

Dodecanoic acid ingenol ester

Dodecanoic acid ingenol ester is a natural compound.

  • CAS Number: 54706-70-6
  • MF: C32H50O7
  • MW: 546.735
  • Catalog: Others
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 655.2±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 201.6±25.0 °C

Yadanziolide C

Yadanziolide C is a quassinoid with antiproliferative and differentiation-inducing properties in promyelocytic HL-60 cells[1].

  • CAS Number: 95258-12-1
  • MF: C20H26O9
  • MW: 410.415
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Simpinicline

Simpinicline (OC-02), a highly selective nicotinic acetylcholine receptor (nAChR) agonist, shows potent antiviral activity against the SARS-CoV-2 variants in cell culture with an IC50 of 0.04 µM[1].

  • CAS Number: 753015-44-0
  • MF: C10H13N3
  • MW: 175.23
  • Catalog: SARS-CoV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Terlipressin Acetate

Terlipressin acetate is a vasopressin analogue with potent vasoactive properties. Terlipressin acetate is a highly selective vasopressin V1 receptor agonist that reduces the splanchnic blood flow and portal pressure and controlling acute variceal bleeding. Terlipressin acetate exerts anti-inflammatory and anti-oxidative effects. Terlipressin acetate has the potential for hepatorenal syndrome and norepinephrine-resistant septic shock treatment[1][2][3][4][5].

  • CAS Number: 914453-96-6
  • MF: C52H74N16O15S2.xC2H4O2
  • MW: 1347.476
  • Catalog: Vasopressin Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

4-(3-Hydroxypropyl)-2,6-dimethoxyphenol

Dihydrosinapyl alcohol, a natural product, can be obtained from lignocellulose by hydrogenation and hydrogenolysis[1][2].

  • CAS Number: 20736-25-8
  • MF: C11H16O4
  • MW: 212.242
  • Catalog: Others
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 371.7±37.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 178.6±26.5 °C

Dehydroglyasperin C

Dehydroglyasperin C, a isoflavone, is a potent NAD(P)H:oxidoquinone reductase (NQO1) and phase 2 enzyme inducer. Dehydroglyasperin C has antioxidant, neuroprotective, cancer chemopreventive, and anti-inflammatory activities[1][2][3].

  • CAS Number: 199331-35-6
  • MF: C21H22O5
  • MW: 354.40
  • Catalog: Cancer
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 588.6±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 309.8±30.1 °C

Ethybenztropine

Ethybenztropine (Ponalid) is a muscarinic receptor blocker. Ethybenztropine is an anticholinergic and antihistaminergic agent[1].

  • CAS Number: 524-83-4
  • MF: C22H27NO
  • MW: 321.45600
  • Catalog: mAChR
  • Density: 1.1g/cm3
  • Boiling Point: 422.8ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 124ºC

CW 008

CW 008, a derivative of pyrazole-pyridine, is a CREB or PKA pathway agonist. CW 008 also is a stem cell differentiating agent. CW 008 stimulates osteoblast differentiation of human MSCs and increases bone formation in ovariectomized mice. CW008 promotes osteogenesis by activating cAMP/PKA/CREB signaling pathway and inhibiting leptin secretion[1][2][3].

  • CAS Number: 1134613-19-6
  • MF: C21H14F2N6O2
  • MW: 420.372
  • Catalog: Epigenetic Reader Domain
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

TNIK inhibitor X

TNIK inhibitor X is a potent inhibitor of Traf2- and Nck-interacting kinase (TNIK) (in vitro enzyme IC50=9 nM) with a reasonable selectivity over 30-folds against the majority of a panel of 50 kinases profiled; inhibits cell viability of PAMC82 and T47D cells harboring TNIK amplification with IC50 of 1.77 and 0.385 uM, respectively; shows no inhibitory activity against TNIK-non-amplified AZ-521 cells (IC50>30 uM); suppresses pAKT and induction of LC3 in TNIK-amplified PAMC82 cells, shows minimal effects on either Wnt signaling-mediated transcription.

  • CAS Number: 933886-36-3
  • MF: C19H17N5O3S
  • MW: 395.437
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

AOH1996

AOH1996 is an orally active ligand of replisome component PCNA (Proliferating cell nuclear antigen), targeting to transcription-replication conflict (TRC). AOH1996 stabilizes the interaction of PCNA and RNA polymerase II, causing proteasome-dependent degradation of rpb1 and lethal DNA damages. AOH1996 also interferes the interaction of PCNA and its binding proteins, leading to DNA replication stress and inducing apoptosis. AOH1996 exerts synergistic effect with DNA damage agents, to inhibit tumor cells[1][2].

  • CAS Number: 2089314-64-5
  • MF: C26H22N2O4
  • MW: 426.46
  • Catalog: Cancer
  • Density: 1.269±0.06 g/cm3(Predicted)
  • Boiling Point: 703.9±50.0 °C(Predicted)
  • Melting Point: N/A
  • Flash Point: N/A

PD-1/PD-L1-IN-32

PD-1/PD-L1-IN-32 (compound A56) is a potent PD-1/PD-L1 inhibitor (IC50=2.4 nM), with anticancer activity. PD-1/PD-L1-IN-32 significantly inhibits tumor growth in hPD-L1 MC38 humanized mouse model, without obvious toxicity against mouse normal ability[1].

  • CAS Number: 2765535-21-3
  • MF: C29H25ClFN3O3
  • MW: 517.98
  • Catalog: PD-1/PD-L1
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Permethrin-d5

Permethrin-d5 (NRDC-143-d5) is the deuterium labeled Permethrin. Permethrin (NRDC-143) is an insecticide, acaricide, and insect repellent; functions as a neurotoxin, affecting neuron membranes by prolonging sodium channel activation[1][2].

  • CAS Number: 1794760-19-2
  • MF: C21H15D5Cl2O3
  • MW: 396.32
  • Catalog: Infection
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

n-[bis(methylthio)methylene]glycine methyl ester

N-[Bis(methylthio)methylene]glycine methyl ester is a Glycine (HY-Y0966) derivative[1].

  • CAS Number: 58091-08-0
  • MF: C6H11NO2S2
  • MW: 193.28700
  • Catalog: Others
  • Density: 1.217 g/mL at 25ºC(lit.)
  • Boiling Point: 259ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: >230 °F

AWL-II-38.3

AWL-II-38.3 is a potent ephrin-A receptor (EphA3) kinase inhibitor. AWL-II-38.3 does not exhibit significant cellular activity against Src-family kinases nor against b-raf[1][2][1][2].

  • CAS Number: 1135205-94-5
  • MF: C23H18F3N5O3
  • MW: 469.42
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Y-29794 oxalate

Y-29794 oxalate is a selective, orally active and blood-brain barrier permeable non-peptide prolyl endopeptidase inhibitor. Y-29794 oxalate blocks the IRS1-AKT-mTORC1 pathway and inhibits tumor growth. Y-29794 oxalate is also effective in inhibiting the progression of Aβ-like deposition in the hippocampus of aging-accelerated mice (SAM)[1][2][3].

  • CAS Number: 146794-84-5
  • MF: C25H36N2O5S2
  • MW: 508.69
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Tabimorelin hemifumarate

Tabimorelin (NN703) hemifumarate is an orally active growth hormone (GH) secretagogue. Tabimorelin hemifumarate is also a potent inhibitor of CYP3A4 activity[1].

  • CAS Number: 242143-80-2
  • MF: C32H40N4O3.1/2C4H4O4
  • MW: 586.72
  • Catalog: Cytochrome P450
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Xylopine

Xylopine is an aporphine alkaloid with cytotoxic activity on cancer cells. Xylopine induces oxidative stress, causes G2/M cell cycle arrest and apoptosis in cancer cells[1].

  • CAS Number: 517-71-5
  • MF: C18H17NO3
  • MW: 295.33200
  • Catalog: Apoptosis
  • Density: 1.289g/cm3
  • Boiling Point: 483.4ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 193.7ºC

AC 55649

AC-55649 is a potent, highly isoform-selective agonist of human RARβ2 receptor, with a pEC50 of 6.9.

  • CAS Number: 59662-49-6
  • MF: C21H26O2
  • MW: 310.43000
  • Catalog: RAR/RXR
  • Density: 1.037g/cm3
  • Boiling Point: 462ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 216.9ºC

2′-Deoxy-6-O-methylinosine

2′-Deoxy-6-O-methylinosine 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: 37109-88-9
  • MF: C11H14N4O4
  • MW: 266.25
  • Catalog: Nucleoside Antimetabolite/Analog
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

PT-2385

PT-2385 is a selective HIF-2α antagonist with a Ki of less than 50 nM.

  • CAS Number: 1672665-49-4
  • MF: C17H12F3NO4S
  • MW: 383.342
  • Catalog: HIF/HIF Prolyl-Hydroxylase
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 524.7±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 271.1±30.1 °C

GLP-1R agonist 9

GLP-1R agonist 9 (Compound 96) is a GLP-1R agonist with EC50 values of 1.1 nM and 11 nM against CHO GLP-1R Clone H6 and CHO GLP-1R Clone C6, respectively[1].

  • CAS Number: 2401894-00-4
  • MF: C32H30ClF2N3O5
  • MW: 610.05
  • Catalog: Metabolic Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Leachianone A

Leachianone A, isolated from Radix Sophorae, has anti-malarial, anti-inflammatory, and cytotoxic potent[1]. Leachianone A induces apoptosis involved both extrinsic and intrinsic pathways[2].

  • CAS Number: 97938-31-3
  • MF: C26H30O6
  • MW: 438.513
  • Catalog: Apoptosis
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 649.7±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 218.3±25.0 °C

Nτ-methylhistamine

2-(1-Methyl-1H-imidazol-4-yl)ethan-1-amine is a histamine (Him) metabolite.

  • CAS Number: 501-75-7
  • MF: C6H11N3
  • MW: 125.17
  • Catalog: Others
  • Density: 1.11g/cm3
  • Boiling Point: 296.7ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 133.2ºC

SPC4061

SPC4061 an antisense nucleotide, is a potent PCSK9 inhibitor. SPC4061 targets the lock-in nucleic acid (LNA) of PCSK9 for the study of hypercholesterolemia and related diseases[1][2].

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

Dopamine serotonin antagonist-1

Dopamine serotonin antagonist-1 is a dual dopamine and serotonin receptor antagonist with Kis of 200, 2500, 420, 39, 84, 40 nM for dopamine D1, D2,D4, and serotonin S2A, S2C, S3, respectively.

  • CAS Number: 1977-07-7
  • MF: C18H20N4
  • MW: 292.37800
  • Catalog: Dopamine Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

1-Hexadecanol

1-Hexadecanol is a fatty alcohol, a lipophilic substrate.

  • CAS Number: 36653-82-4
  • MF: C16H34O
  • MW: 242.441
  • Catalog: Others
  • Density: 0.8±0.1 g/cm3
  • Boiling Point: 310.9±5.0 °C at 760 mmHg
  • Melting Point: 49-51 °C
  • Flash Point: 135.0±0.0 °C