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

Udenafil

Udenafil(DA8159) is a PDE5 inhibitor used in urology to treat erectile dysfunction.Target: PDE5Udenafil is an oral PDE5 inhibitor. Udenafil significantly increased cAMP and cGMP levels and were more highly distributed in the prostate than plasma. The T/P ratio of udenafil was higher than tadalafil. These findings may help in the assessment of the feasibility of using PDE5 Is to concurrently treat both LUTS and erectile dysfunction [1]. After 12 weeks of treatment, the patients treated with udenafil showed significantly greater change from baseline in the IIEF-EF domain score compared with placebo (placebo, 0.20; 100-mg udenafil, 7.52; and 200-mg udenafil, 9.93, respectively) (P < 0.0001). udenafil significantly enhanced the rates of successful penetration (SEP Q2) and maintenance of erection (SEP Q3) (P < 0.0001) [2].

  • CAS Number: 268203-93-6
  • MF: C25H36N6O4S
  • MW: 516.66
  • Catalog: Phosphodiesterase (PDE)
  • Density: 1.35g/cm3
  • Boiling Point: 697ºC at 760 mmHg(计算值)
  • Melting Point: 157-159°C
  • Flash Point: 375.3ºC(计算值)

TLR7 agonist 10

TLR7 agonist 10 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: 2389988-34-3
  • MF: C14H19N5O6
  • MW: 353.33
  • Catalog: Nucleoside Antimetabolite/Analog
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

ML 18

ML-18 is a non-peptide bombesin receptor subtype-3 (BRS-3) antagonist with an IC50 of 4.8 μM.

  • CAS Number: 1422269-30-4
  • MF: C32H35N5O5
  • MW: 569.651
  • Catalog: Bombesin Receptor
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 803.5±75.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 439.7±37.1 °C

Isoquercitrin

Quercetin-3-glucoside is a naturally occurring polyphenol that has antioxidant, anti-proliferative, and anti-inflammatory properties.Quercetin-3-glucoside alleviates ethanol-induced hepatotoxicity, oxidative stress, and inflammatory responses via the Nrf2/ARE antioxidant signaling pathway[1].Quercetin-3-glucoside regulates the expression of nitric oxide synthase 2 (NO2) via modulating the nuclear factor-κB (NF-κB) transcription regulation system. Quercetin-3-glucoside has high bioavailability and low toxicity, is a promising candidate agent to prevent birth defects in diabetic pregnancies[2].

  • CAS Number: 482-35-9
  • MF: C21H20O12
  • MW: 464.376
  • Catalog: NO Synthase
  • Density: 1.9±0.1 g/cm3
  • Boiling Point: 872.6±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 307.5±27.8 °C

Peonidin-3-O-arabinoside chloride

Peonidin-3-O-arabinoside chloride (Compound Ⅻ) is an anthocyanin that can be isolated from Vaccinium myrtillus L.[1].

  • CAS Number: 524943-91-7
  • MF: C21H21ClO10
  • MW: 468.838
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Oxantel

Oxantel (CP-14445), a m-oxyphenol derivative of Pyrantel (HY-12641), is a N-subtype AChR agonist. Oxantel is an anthelmintic, with excellent trichuricidal properties[1][2].

  • CAS Number: 36531-26-7
  • MF: C13H16N2O
  • MW: 216.27900
  • Catalog: nAChR
  • Density: 1.09g/cm3
  • Boiling Point: 383.1ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 185.5ºC

A-381393

A-381393 is a potent, selective, brain penetrate dopamine D4 receptor antagonist, with Kis of 1.5, 1.9 and 1.6 nM for human dopamine D4.4, D4.2, and D4.7 receptor, respectively, >2700-fold selectivity over D1, D2, D3 and D5 dopamine receptors. A-381393 shows moderate affinity for 5-HT2A (Ki, 370 nM)[1].

  • CAS Number: 726174-00-1
  • MF: C20H24N4
  • MW: 320.43
  • Catalog: Dopamine Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

O-2050-D3,13C

rel-O-2050 (Compound O-2050) is a neutral cannabinoid CB1 receptor antagonist. rel-O-2050 also decreases food intake in mice[1].

  • CAS Number: 851320-29-1
  • MF: C23H31NO4S
  • MW: 417.56200
  • Catalog: Cannabinoid Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

DFPM

A small molecule that rapidly downregulates abscisic acid (ABA)-dependent gene expression (IC50=3 and 1.5 uM for RD29B and RAB18 promoters), also inhibits ABA-induced stomatal closure; stimulates expression of plant defense-related genes, major early regulators of pathogen-resistance responses, including EDS1, PAD4, RAR1, and SGT1b, are required for DFPM-interference with ABA signal transduction, disrupts cytosolic Ca(2+) signaling and downstream anion channel activation in a PAD4-dependent manner.

  • CAS Number: 301338-95-4
  • MF: C16H15Cl2NOS
  • MW: 340.267
  • Catalog: Others
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 461.2±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 232.7±31.5 °C

(25R)-Ruscogenin-3-yl α-L-rhamnopyranosyl-(1→2)-[β-D-xylopyranosyl-(1→4)]-β-D-glucopyranoside

(25R)-Ruscogenin-3-yl α-L-rhamnopyranosyl-(1→2)-[β-D-xylopyranosyl-(1→4)]-β-D-glucopyranoside (compound 1) is a steroidal saponin , can be isolated from the roots of Ophiopogon japonicus[1].

  • CAS Number: 1220707-31-2
  • MF: C44H70O17
  • MW: 871.02
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

t-Boc-N-amido-PEG5-NHS ester

Boc-N-PEG5-C2-NHS ester is a PEG-based PROTAC linker can be used in the synthesis of PROTACs[1].

  • CAS Number: 2055040-78-1
  • MF: C22H38N2O11
  • MW: 506.54
  • Catalog: PROTAC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Demethylcantharidate disodium

Demethylcantharidate disodium, an endogenous metabolite, induces apoptosis in hepatocellular carcinoma cells via ER stress. Demethylcantharidate disodium shows excellent anticancer activity against multiple types of cancer[1].

  • CAS Number: 129-67-9
  • MF: C8H8Na2O5
  • MW: 230.13
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: 447.8ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 190.5ºC

Glutarylcarnitine

Glutarylcarnitine is the diagnostic metabolite for malonic aciduria and glutaric aciduria type I monitored in most tandem mass spectrometry newborn screening programmes.

  • CAS Number: 102636-82-8
  • MF: C12H21NO6
  • MW: 275.29800
  • Catalog: Metabolic Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Heclin

A small molecule inhibitor of HECT-type ubiquitin ligase with IC50 of 6.8/6.3/6.9 uM for Smurf2/Nedd4/WWP1, respectively; does not block E2 binding but causes a conformational change that results in oxidation of the active site Cys; is active against a range of HECT ligases but does not perturb the ubiquitin system more generally.

  • CAS Number: 890605-54-6
  • MF: C17H17NO3
  • MW: 283.322
  • Catalog: E1/E2/E3 Enzyme
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 495.4±45.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 253.4±28.7 °C

H-Thr-Arg-OH sulfate salt

H-Thr-Arg-OH is a biologically active peptide.

  • CAS Number: 13448-26-5
  • MF: C10H21N5O4
  • MW: 275.30500
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

INH154

INH154 is a highly potent inhibitor for Nek2 and Hec1 binding (INH), with IC50s of 200 nM and 120 nM for INH in Hela and MB468 cells.

  • CAS Number: 1587705-63-2
  • MF: C22H24N4OS
  • MW: 392.52
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

A1AR antagonist 5

A1AR antagonist 5 (compound 20) is a potent and selective A1AR (A1 adenosine receptor) antagonist, with a pIC50 of 5.83 and a pKi of 6.11[1].

  • CAS Number: 1030509-01-3
  • MF: C17H15ClN4O
  • MW: 326.78
  • Catalog: Adenosine Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

veratraldehyde

Veratraldehyde is an important chemical used in perfumery, agrochemical, and pharmaceutical industries.

  • CAS Number: 120-14-9
  • MF: C9H10O3
  • MW: 166.174
  • Catalog: Others
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 281.0±0.0 °C at 760 mmHg
  • Melting Point: 40-43 °C(lit.)
  • Flash Point: 110.4±8.2 °C

Pyridoxine

Pyridoxine is a pyridine derivative. Pyridoxine exerts antioxidant effects in cell model of Alzheimer's disease via the Nrf-2/HO-1 pathway.

  • CAS Number: 65-23-6
  • MF: C8H11NO3
  • MW: 169.178
  • Catalog: Keap1-Nrf2
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 491.9±40.0 °C at 760 mmHg
  • Melting Point: 159-162ºC
  • Flash Point: 251.3±27.3 °C

Epirosmanol

Epirosmanol is a nature diterpene lactone from S. officinalis. Epirosmanol shows anti-cancer activity and inhibits melanin biosynthesis against melanoma cells. Epirosmanol also exhibits DPPH radical scavenging activity[1][2].

  • CAS Number: 93380-12-2
  • MF: C20H26O5
  • MW: 346.41700
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: 574.2±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: N/A

Tyrphostin AG 1296

Tyrphostin AG1296 is a potent and selective inhibitor of platelet-derived growth factor receptor (PDGFR), with an IC50 of 0.8 μM. Tyrphostin AG1296 inhibits signaling of human PDGF α- and β-receptors as well as of the related stem cell factor receptor (c-Kit). Tyrphostin AG1296 is also a potent inhibitor of FLT3, with an IC50 in the micromolar range[1][2][3].

  • CAS Number: 146535-11-7
  • MF: C16H14N2O2
  • MW: 266.295
  • Catalog: Apoptosis
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 420.2±40.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 151.8±17.6 °C

Boc-D-3,3-Diphenylalanine

Boc-D-Ala(3,3-diphenyl)-OH is a phenylalanine derivative[1].

  • CAS Number: 143060-31-5
  • MF: C20H23NO4
  • MW: 341.401
  • Catalog: Others
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 502.7±50.0 °C at 760 mmHg
  • Melting Point: 157 °C (dec.)(lit.)
  • Flash Point: 257.8±30.1 °C

4-Methoxybenzenecarboximidamide

4-Methoxybenzimidamide is a reagent used for the determination of reducing carbohydrates and glycoproteins.

  • CAS Number: 22265-37-8
  • MF: C8H10N2O
  • MW: 150.178
  • Catalog: Metabolic Disease
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 255.1±42.0 °C at 760 mmHg
  • Melting Point: 120-124ºC
  • Flash Point: 108.1±27.9 °C

N2-iso-Butyroyl-2’-fluoro-2’-deoxyarabinoguanosine

N2-iso-Butyroyl-2’-fluoro-2’-deoxyarabinoguanosine 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: 308356-20-9
  • MF: C14H18FN5O5
  • MW: 355.32
  • Catalog: Nucleoside Antimetabolite/Analog
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

alpha-Viniferin

α-Viniferin is an anti-inflammatory compound from Caragana chamlagu root[1].

  • CAS Number: 62218-13-7
  • MF: C42H30O9
  • MW: 678.682
  • Catalog: Inflammation/Immunology
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

JNJ-54717793

JNJ-54717793, as a brain penetrant, is an orally active, selective and high affinity orexin-1 receptor (OX1R) antagonist (plasma EC50=85 ng/mL). The Ki values of JNJ-54717793 for hOX1R (human OX1R) and hOX2R are 16 nM and 700 nM, respectively. JNJ-54717793 is a potent compound of anxiety disorders[1][2].

  • CAS Number: 1628843-99-1
  • MF: C22H18F4N6O
  • MW: 458.41
  • Catalog: Orexin Receptor (OX Receptor)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Bisindolylmaleimide I HCl

Bisindolylmaleimide I (GF109203X) hydrochloride is a cell-permeable and reversible PKC inhibitor (IC50 of 20 nM, 17 nM, 16 nM, and 20 nM for PKCα, PKCβI, PKCβII, and PKCγ. Bisindolylmaleimide I hydrochloride is also a GSK-3 inhibitor[1][2][3].

  • CAS Number: 176504-36-2
  • MF: C25H25ClN4O2
  • MW: 448.94500
  • Catalog: PKC
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

MBP146-78

MBP146-78 is a potent and selective inhibitor of cGMP dependent protein kinases.

  • CAS Number: 188343-77-3
  • MF: C21H22FN3
  • MW: 335.41800
  • Catalog: Parasite
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

EZH2-IN-7

EZH2-IN-7 is a potent inhibitor of EZH2. EZH2 overexpression or mutations in the SET region (Y641F, Y641N, A687V, A677G point mutations) all lead to abnormal elevation of H3K27me3 and promote the growth and development of many types of tumors, such as breast cancer, prostate cancer, leukemia, etc. EZH2-IN-7 has the potential for the research of cancer diseases (extracted from patent WO2021129629A1, compound 259)[1].

  • CAS Number: 2659225-28-0
  • MF: C31H37D2N5O3S
  • MW: 563.75
  • Catalog: Histone Methyltransferase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Culmerciclib maleate

Culmerciclib maleate is a cyclin dependent kinase (CDK) inhibitor, and has antineoplastic activity[1].

  • CAS Number: 2197922-55-5
  • MF: C28H31FN8O4
  • MW: 562.60
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A