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

6,7-Dihydroxycoumarin-4-acetic Acid

6,7-Dihydroxy-4-coumarinylacetic acid is a potent and selective inhibitor of ALR2. 6,7-Dihydroxy-4-coumarinylacetic acid inhibits ALR2, SDH andALR1 with IC50s of 9.6, 288 and 66.3 μM, respectively. 6,7-Dihydroxy-4-coumarinylacetic acid clearly suppresses galactitol accumulation[1].

  • CAS Number: 88404-14-2
  • MF: C11H8O6
  • MW: 236.17800
  • Catalog: Aldose Reductase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: 230ºC
  • Flash Point: N/A

H-Ser(Bzl)-OH.HCl

H-Ser(Bzl)-OH.HCl is a serine derivative[1].

  • CAS Number: 76614-98-7
  • MF: C10H14ClNO3
  • MW: 231.67600
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Pemetrexed-d5

Pemetrexed-d5 is the deuterium labeled Pemetrexed[1]. Pemetrexed (LY231514) is an antifolate, the Ki values of the pentaglutamate of Pemetrexed (LY231514) are 1.3, 7.2, and 65 nM for inhibits thymidylate synthase (TS), dihydrofolate reductase (DHFR), and glycinamide ribonucleotide formyltransferase (GARFT), respectively[2].

  • CAS Number: 1129408-57-6
  • MF: C20H16D5N5O6
  • MW: 432.44
  • Catalog: Autophagy
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Firzacorvir

Firzacorvir is a cyclic sulfamide compound and modulates HBV core protein. Firzacorvir has anti-HBV activity with EC50 < 1 μΜ[1].

  • CAS Number: 2243747-96-6
  • MF: C18H18ClFN6O3S2
  • MW: 484.96
  • Catalog: HBV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

7-Hydroxy-4'-methoxyflavone

Pratol is a potent inhibitor of NF-κB. Pratol significantly reduces NO and prostaglandin PGE2 production without any cytotoxic in LPS-stimulated RAW 264.7 cells. Pratol reduces proinflammatory cytokines. Pratol can be used in study inflammatory diseases and cancer[1].

  • CAS Number: 487-24-1
  • MF: C16H12O4
  • MW: 268.26
  • Catalog: Inflammation/Immunology
  • Density: 1.329g/cm3
  • Boiling Point: 479.4ºC at 760mmHg
  • Melting Point: 263-264ºC
  • Flash Point: 183.4ºC

Carboxy-PTIO

Carboxy-PTIO is a potent nitric oxide (NO) scavenger that can make a quick reaction with NO to produce NO2. Carboxy-PTIO can prevent hypotension and endotoxic shock through the direct scavenging action against NO in lipopolysaccharide-stimulated rat model[1][2][3].

  • CAS Number: 145757-47-7
  • MF: C14H17N2O4?
  • MW: 277.30
  • Catalog: NO Synthase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Cysteine thiol probe

Cysteine Thiol Probe is a thiol-based probe designed to label electrophilic natural products. Cysteine Thiol Probe possesses each of the characteristics of an ideal pharmacophore probe, and has a chromophore. Cysteine Thiol Probe is capable of engaging enone-, β-lactam-, and β-lactone-based electrophilic metabolites[1][2].

  • CAS Number: 1947408-74-3
  • MF: C11H12BrNO3S
  • MW: 318.19
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

H-Pro-Met-OH

H-Pro-Met-OH is a dipeptide containing proline and methionine, which can serve as a substrate for prolinase. H-Pro-Met-OH can also be used for the synthesis of polypeptides[1][2].

  • CAS Number: 52899-08-8
  • MF: C10H18N2O3S
  • MW: 246.33
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

ATX-002

ATX-002 is a property-tunable lipid for RNA drug delivery.

  • CAS Number: 1777792-34-3
  • MF: C39H72N2O5S
  • MW: 681.06
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

H-Cys(NPys)-Arg-Arg-Arg-Arg-Arg-Arg-Arg-Arg-Arg-NH2 trifluoroacetate salt

Cys(Npys)-(Arg)9 is a cell penetrating peptide. Cys(Npys)-(Arg)9 is comprised of 9 D-Arginine residues and an activated cysteine residue C(Npys). Cys(Npys)-(Arg)9 can be used as a carrier peptide applicable in conjugation and cell permable studies[1].

  • CAS Number: 1417221-06-7
  • MF: C62H118N40O12S2
  • MW: 1679.991
  • Catalog: Others
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

PQR-530

PQR-530 is a potent, oral and brain-penetrant dual pan-PI3K/mTORC1/2 inhibitor, exhibiting antitumor activity.

  • CAS Number: 1927857-61-1
  • MF: C18H23F2N7O2
  • MW: 407.42
  • Catalog: Cancer
  • Density: 1.338±0.06 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

BRD4-IN-2

BRD4-IN-2 is a bromodomain BRD4 inhibitor with an IC50 value of 9.9 nM.

  • CAS Number: 2679925-55-2
  • MF: C43H48N8O11
  • MW: 852.89
  • Catalog: Inflammation/Immunology
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Z-Ser(Tos)-OMe

Z-Ser(Tos)-OMe is a serine derivative[1].

  • CAS Number: 1492-52-0
  • MF: C19H21NO7S
  • MW: 407.43800
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

SN50

SN50 is a cell permeable inhibitor of NF-κB translocation. Sequence: Ala-Ala-Val-Ala-Leu-Leu-Pro-Ala-Val-Leu-Leu-Ala-Leu-Leu-Ala-Pro-Val-Gln-Arg-Lys-Arg-Gln-Lys-Leu-Met-Pro;AAVALLPAVLALLAPVQRKRQKLMP.

  • CAS Number: 213546-53-3
  • MF: C129H230N36O29S
  • MW: 2781.50000
  • Catalog: Peptides
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

ADG-2e

ADG-2e is a potent antibacterial agent with MICs of 16, 4, 2, and 2 μg/mL for E. coli [KCTC 1682], P. aeruginosa [KCTC 1637], B.subtilis [KCTC 3068], and S. aureus [KCTC 1621], respectively. ADG-2e shows anti-metastatic activity against breast cancer cells[1].

  • CAS Number: 2419951-75-8
  • MF: C42H67N11O4
  • MW: 790.05
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

TB500

TB500 is a synthetic version of an active region of thymosin β4. TB500 is claimed to promote endothelial cell differentiation, angiogenesis in dermal tissues, keratinocyte migration, collagen deposition and decrease inflammation.

  • CAS Number: 885340-08-9
  • MF: C38H68N10O14
  • MW: 889.01
  • Catalog: Peptides
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Nanterinone

Nanterinone (UK 61260) is a positive inotropic and arterial vasodilating agent. Nanterinone is a phosphodiesterase inhibitor[1].

  • CAS Number: 102791-47-9
  • MF: C15H15N3O
  • MW: 253.29900
  • Catalog: Phosphodiesterase (PDE)
  • Density: 1.24g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

hCAIX-IN-6

Compounds 6B and 14g showed significant inhibitory effect on tumor related subtype HCA IX with low nanomolar potency, while 6K was effective on HCA XII. Compounds 6B, 14g and 6K can be considered as the leading molecules for the development of future cancer therapeutic drugs based on new mechanisms of action.

  • CAS Number: 2451479-86-8
  • MF: C18H12N2O4S
  • MW: 352.36
  • Catalog: Carbonic Anhydrase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

DSTYSLSSTLTLSK

DSTYSLSSTLTLSK is a generic human peptide and can be used for infliximab quantitative detection[1]. Infliximab (Avakine) is a chimeric monoclonal IgG1 antibody that specifically binds to TNF-α.

  • CAS Number: 177792-42-6
  • MF: C64H107N15O26
  • MW: 1502.62
  • Catalog: Inflammation/Immunology
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Evogliptin

Evogliptin (DA-1229) is an orally active DPP4 inhibitor with significant and sustained hypoglycaemic effects in mouse models. Evogliptin also inhibits the production of inflammatory and fibrotic signals in hepatocytes by inducing autophagy. Evogliptin can be used in studies of type 2 diabetes, osteoporosis, renal impairment and chronic liver inflammation[1][2][3][4].

  • CAS Number: 1222102-29-5
  • MF: C19H26F3N3O3
  • MW: 401.42300
  • Catalog: Autophagy
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

α,α-Trehalose 6-phosphate potassium

α,α-Trehalose 6-phosphate (Tre6P) potassium is an endogenous metabolite. α,α-Trehalose 6-phosphate is a 6-phosphate derivative of α,α′-trehalose. α,α-Trehalose 6-phosphate is rapidly converted to the pathway end product, α,α′-trehalose, through the action of Tre6P phosphatase (T6PP)[1].

  • CAS Number: 136632-28-5
  • MF: C12H21K2O14P
  • MW: 498.46
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Flocoumafen

Flocoumafen (WL 108366), a second-generation anticoagulant rodenticide (ARs), belongs to the family of vitamin K antagonist (VKA) molecules[1][2].

  • CAS Number: 90035-08-8
  • MF: C33H25F3O4
  • MW: 542.544
  • Catalog: Cardiovascular Disease
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 672.4±55.0 °C at 760 mmHg
  • Melting Point: 181-191 (cis-isomer). 163-166 (trans- isomer)ºC
  • Flash Point: 360.5±31.5 °C

p-Aniline-MMAE

p-Aniline-MMAE is a p-Aniline conjugated monomethyl auristatin E (MMAE). p-Aniline-MMAE can be used in the synthesis of ADC[1].

  • CAS Number: 2748039-81-6
  • MF: C47H74N6O9
  • MW: 867.13
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Methylnissolin

Methylnissolin (Astrapterocarpan), isolated from Astragalus membranaceus, inhibits platelet-derived growth factor (PDGF)-BB-induced cell proliferation with an IC50 of 10 μM. Methylnissolin inhibits PDGF-BB-induced phosphorylation of extracellular signal-regulated kinase 1/2 (ERIC1/2) mitogen-activated protein (MAP) kinase. Methylnissolin inhibits PDGF-BB-induced vascular smooth muscle cell proliferation by inhibition of the ERK1/2 MAP kinase cascade[1].

  • CAS Number: 73340-41-7
  • MF: C17H16O5
  • MW: 300.306
  • Catalog: ERK
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 428.9±45.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 213.2±28.7 °C

Corn Steep Liquor

Corn steep liquor, a food industrial by-product, is a nutritional additive in the liquid culture medium of fungus. Corn steep liquor can increase the production of fairy chemicals and mycelia[1][2].

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

DH 97

DH97 is a potent and selective antagonist of MT2 melatonin receptor, with a pKi of 8.03 for human MT2. DH97 shows 89- and 229-fold selectivity for human MT2 over human mt1 and Xenopus mel1c receptor subtypes. DH97 can inhibit melatonin-induced enhancement of electrically-evoked responses[1][2].

  • CAS Number: 220339-00-4
  • MF: C22H26N2O
  • MW: 334.455
  • Catalog: Melatonin Receptor
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 580.1±38.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 304.6±26.8 °C

SARS-CoV-IN-4

SARS-CoV-IN-4 (compound 13) is a potent and specific inhibitor of SARS-CoV nsp14 N7-methyltransferase, with an IC50 of 0.6 μM (SARS-CoV nsp14)[1].

  • CAS Number: 2445585-37-3
  • MF: C28H31ClN12O11S
  • MW: 779.14
  • Catalog: SARS-CoV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

1-Boc-2-methyl-4-oxo-D-proline

1-Boc-2-methyl-4-oxo-D-proline is a proline derivative[1].

  • CAS Number: 144527-34-4
  • MF: C12H19NO5
  • MW: 257.28
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

3β-acetoxy-eupha- 7,25-dien-24(R)-ol

(3β,24R)-3-(Acetyloxy)eupha-7,25-dien-24-ol is an euphane triterpene compound isolated from the barks of Broussonetia papyrifera[1].

  • CAS Number: 1352001-09-2
  • MF: C32H52O3
  • MW: 484.754
  • Catalog: Others
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 542.3±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 195.1±22.9 °C

1-epi-Calcitriol

Impurity B of Calcitriol, Calcitriol(1,25-Dihydroxyvitamin D3; Rocaltrol ) is the hormonally active form of vitamin D, Calcitriol is the active metabolite of vitamin D3 that activates the vitamin D receptor (VDR).IC50 value:Target: vitamin D receptorCalcitriol(1,25-Dihydroxyvitamin D3; Rocaltrol ) displays calcemic actions. Calcitriol stimulates intestinal and renal Ca2+ absorption and regulates bone Ca2+ turnover. Calcitriol (1,25-Dihydroxyvitamin D3; Rocaltrol )exhibits antitumor activity; Calcitriol(1,25-Dihydroxyvitamin D3; Rocaltrol ) inhibits in vivo and in vitro cell proliferation in a wide range of cells including breast, prostate, colon, skin and brain carcinomas and myeloid leukemia cells.

  • CAS Number: 66791-71-7
  • MF: C27H44O3
  • MW: 416.63600
  • Catalog: VD/VDR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A