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

PROTAC FLT-3 degrader 1

PROTAC FLT-3 degrader 1 is an FLT-3 internal tandem duplication (ITD) degrader with an IC50 0.6 nM. Anti-proliferative activity; apoptosis induction[1].

  • CAS Number: 2230826-81-8
  • MF: C52H61N9O9S2
  • MW: 1020.23
  • Catalog: PROTAC
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

threo Ifenprodil hemitartrate

threo Ifenprodil hemitartrate is a σ receptor agonist, with Kis of 59.1 and 2 nM for σ1 and σ2 receptors, respectively. threo Ifenprodil hemitartrate is also a NR2B subunit-selective NMDA receptor antagonist (IC50=0.22 μM). threo Ifenprodil hemitartrate is a hERG potassium channel inhibitor, with an IC 50 of 88 nM, showing antiarrhythmic activity[1][2][3].

  • CAS Number: 1312991-83-5
  • MF: C21H27NO2.1/2C4H6O6
  • MW: 400.50
  • Catalog: Sigma Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

H-Gly-OMe.HCl

Methyl 2-aminoacetate hydrochloride is a Glycine (HY-Y0966) derivative[1].

  • CAS Number: 5680-79-5
  • MF: C3H8ClNO2
  • MW: 125.554
  • Catalog: Others
  • Density: 1.000
  • Boiling Point: 82.1ºC at 760 mmHg
  • Melting Point: 175 °C (dec.)(lit.)
  • Flash Point: N/A

Polyphyllin VI

Polyphyllin VI, an active saponin mainly isolated from traditional medicinal plant Paris polyphylla, possess anti-cancer activities. Polyphyllin VI induces G2/M cell cycle arrest and triggers apoptosis[1][2].

  • CAS Number: 55916-51-3
  • MF: C39H62O13
  • MW: 738.902
  • Catalog: Apoptosis
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 871.2±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 480.7±34.3 °C

4-(Methylamino)butanoic acid-d9 hydrochloride

4-(Methylamino)butanoic acid-d9 hydrochloride is the deuterium labeled 4-(Methylamino)butanoic acid hydrochloride[1].

  • CAS Number: 1219805-36-3
  • MF: C5H3D9ClNO2
  • MW: 162.66
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

L-Lysine-13C6,15N2 dihydrochloride

L-Lysine-13C6,15N2 (dihydrochloride) is a 15N-labeled and 13C-labled Metolcarb. Metolcarb is a N-methylcarbamate pesticide that can be used in many agricultural products[1].

  • CAS Number: 202406-54-0
  • MF: 13C6H16Cl215N2O2
  • MW: 227.05
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Antileishmanial agent-15

Antileishmanial agent-15 (compound 13c) is a potent antileishmanial agent. Antileishmanial agent-15 shows antileishmanial and cytotoxic activity against L. major promastigotes and amastigotes, with IC50 values of 0.78 and 0.99 μM, respectively[1].

  • CAS Number: 2934738-38-0
  • MF: C28H39N5O4
  • MW: 509.64
  • Catalog: Infection
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Ulipristal acetate

Ulipristal (acetate) is a novel selective progesterone receptor modulator (SPRM) for the treatment of benign gynecological conditions such as uterine myoma.

  • CAS Number: 126784-99-4
  • MF: C30H37NO4
  • MW: 475.619
  • Catalog: Endocrinology
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 640.1±55.0 °C at 760 mmHg
  • Melting Point: 183-185ºC
  • Flash Point: 340.9±31.5 °C

7-Methylxanthine

7-Methylxanthine, a methyl derivative of xanthine, is one of the purine components in urinary calculi.

  • CAS Number: 552-62-5
  • MF: C6H6N4O2
  • MW: 166.137
  • Catalog: Metabolic Disease
  • Density: 1.8±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: 300ºC
  • Flash Point: N/A

U-18666A

U18666A, a cell permeable drug, is a cholesterol synthesis and transport inhibitor.

  • CAS Number: 3039-71-2
  • MF: C25H42ClNO2
  • MW: 424.060
  • Catalog: Infection
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

5-HT3 antagonist 5

5-HT3 antagonist 5 is a quinoxalin-2-carboxamide compound, a 5-HT3 receptor antagonist. 5-HT3 antagonist 5 exerts antagonism on 5-HT3 agonist and 2-methyl-5-HT, and shows anti-depressant effect in mice[1].

  • CAS Number: 901599-43-7
  • MF: C16H13N3O2
  • MW: 279.29
  • Catalog: 5-HT Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

11-Deoxymogroside IIIE

11-Deoxymogroside IIIE is a natural product isolated from Siraitia grosvenorii.

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

(-)-taxifolin

(-)-Taxifolin is the less active enantiomer of Taxifolin. Taxifolin exhibits important anti-tyrosinase activity. Taxifolin exhibits significant inhibitory activity against collagenase with an IC50 value of 193.3 μM[1]. Taxifolin is an important natural compound with antifibrotic activity. Taxifolin is a free radical scavenger with antioxidant capacity[2].

  • CAS Number: 111003-33-9
  • MF: C15H12O7
  • MW: 304.252
  • Catalog: Inflammation/Immunology
  • Density: 1.7±0.1 g/cm3
  • Boiling Point: 687.6±55.0 °C at 760 mmHg
  • Melting Point: 232-234 ºC (ethanol )
  • Flash Point: 264.2±25.0 °C

Euphol Acetate

Euphol acetate is a triterpene that can be isolated from Euphorbia broteri. Euphol acetate is an inhibitor of hepatic transport proteins organic anion-transporting polypeptide 1/3 (OATP1B1/3)[1][2].

  • CAS Number: 13879-04-4
  • MF: C32H52O2
  • MW: 468.75
  • Catalog: Metabolic Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

8-NH2-ATP tetrasodium

8-NH2-ATP tetrasodium, an inactive form of ATP, is produced by 8-NH2-Ado. 8-NH2-Ado tetrasodium induces apoptosis-related cleavage of poly (ADP-ribose) polymerase[1][2].

  • CAS Number: 35892-97-8
  • MF: C10H13N6Na4O13P3
  • MW: 610.12
  • Catalog: DNA/RNA Synthesis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Acerogenin G

Acerogenin G is a synthetic diarylheptane. Acerogenin G is first isolated from Acer nikoense[1].

  • CAS Number: 130233-83-9
  • MF: C19H22O3
  • MW: 298.38
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

PAT1inh-B01

PAT1inh-B01 is a selective SLC26A6 inhibitor. PAT1inh-B01 inhibits PAT1 (a Cl-/HCO3- exchanger)-mediated anion exchange (IC50: 350 nM). PAT1inh-B01 blocks fluid absorption in small intestine. PAT1inh-B01 can be used for research of small intestinal hyposecretory disorders[1].

  • CAS Number: 1775330-54-5
  • MF: C22H18BrF3N6O2
  • MW: 535.32
  • Catalog: Inflammation/Immunology
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Methylnissolin-3-O-glucoside

Methylnissolin-3-O-glucoside (Methylnissolin-3-O-β-D-glucoside) is a flavonoid from the roots of Astragalus membranaceus with anti-inflammatory effects[1].

  • CAS Number: 94367-42-7
  • MF: C23H26O10
  • MW: 462.44700
  • Catalog: Inflammation/Immunology
  • Density: 1.456±0.06 g/cm3 (20 °C, 760 mmHg)
  • Boiling Point: 646.3±55.0 °C (760 mmHg)
  • Melting Point: N/A
  • Flash Point: N/A

Carvacrol methyl ether

Carvacrol methyl ether, a Carvacrol analog, can be isolated from plant volatile oil. Carvacrol methyl ether exhibits antibacterial activity[1][2].

  • CAS Number: 6379-73-3
  • MF: C11H16O
  • MW: 164.24400
  • Catalog: Bacterial
  • Density: 0.936 g/mL at 20ºC(lit.)
  • Boiling Point: 217.7ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 75ºC

Tetrahydrouridine

Tetrahydrouridine is potent inhibitor of cytidine deaminase (CDA), which competitively blocks the enzyme's active site more effectively than intrinsic cytidine.

  • CAS Number: 18771-50-1
  • MF: C9H16N2O6
  • MW: 248.233
  • Catalog: Cancer
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 668.6±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 358.2±31.5 °C

Chromotrope 2R

Chromotrope 2R can be used as a chromogenic analytical probe for the quantification of proteins. Basic proteins stained red and the peak wavelength red shifts from 501.6 nm to 567 nm[1].

  • CAS Number: 4197-07-3
  • MF: C16H10N2Na2O8S2
  • MW: 468.369
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Bromo-PEG3-C2-phosphonic acid

Bromo-PEG3-C2-phosphonic acid is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].

  • CAS Number: 1148026-99-6
  • MF: C8H18BrO6P
  • MW: 321.103
  • Catalog: PROTAC Linker
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 458.1±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 230.9±31.5 °C

Orziloben

Orziloben is a medium chain fatty acid (MCFA) analogue[1].

  • CAS Number: 1555822-28-0
  • MF: C13H18O3
  • MW: 222.28
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Bromoethanol-d4

Bromoethanol-d4 is the deuterium labeled Bromoethanol[1].

  • CAS Number: 81764-55-8
  • MF: C2HBrD4O
  • MW: 128.98900
  • Catalog: Others
  • Density: 1.819 g/mL at 25ºC(lit.)
  • Boiling Point: 56-57ºC20 mm Hg(lit.)
  • Melting Point: N/A
  • Flash Point: >230 °F

H-(Gly)3-Lys(N3)-OH

The azide function is widely used for coupling to alkyne-containing fragments via the renowned Click reaction. Polyglycine fragments containing up to 7 glycines are reported to bind to surfaces and have potential application in nanotechnology constructs: constructs of Gly7-NHCH2-fragment containing peptides bind on mica surface in aqueous solution[1][2].

  • CAS Number: 2250437-45-5
  • MF: C12H21N7O5
  • MW: 343.34
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

ANAT inhibitor-2

ANAT inhibitor-2 is a ANAT inhibitor for canavan disease, with an IC50 value of 20 μM.

  • CAS Number: 1048244-34-3
  • MF: C22H23F2NO3
  • MW: 387.42
  • Catalog: Neurological Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Isoquinoline,1,2,3,4-tetrahydro-1-(phenylmethyl)-

1-Benzyl-1,2,3,4-tetrahydro-isoquinoline is an endogenous metabolite present in Cerebrospinal_Fluid that can be used for the research of Parkinson's Disease[1][2].

  • CAS Number: 19716-56-4
  • MF: C16H17N
  • MW: 223.31300
  • Catalog: Neurological Disease
  • Density: 1.06g/cm3
  • Boiling Point: 358.7ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 180.1ºC

Usnic acid

(+)-Usnic acid is isolated from isolated from lichens, binds at the ATP-binding pocket of mTOR, and inhibits mTORC1/2 activity. (+)-Usnic acid inhibits the phosphorylation of mTOR downstream effectors: Akt (Ser473), 4EBP1, S6K, induces autophay, with anti-cancer activity[1].

  • CAS Number: 7562-61-0
  • MF: C18H16O7
  • MW: 344.315
  • Catalog: mTOR
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 638.2±55.0 °C at 760 mmHg
  • Melting Point: 201-203 °C(lit.)
  • Flash Point: 236.0±25.0 °C

Moexipril HCl

Moexipril HCl is a potent orally active non-sulfhydryl angiotensin converting enzyme(ACE) inhibitor, which is used for the treatment of hypertension and congestive heart failure. Target: ACEMoexipril is a long-acting ACE inhibitor suitable for once-daily administration, and like some ACE inhibitors, moexipril is a prodrug and needs to be hydrolyzed in the liver into its active carboxylic metabolite, moexiprilat, to become effective [1]. Upon oral administration of moexipril (10 mg/kg/day) to spontaneously hypertensive rats, plasma angiotensin II concentration decreased to undetectable levels, plasma ACE activity was inhibited by 98% and plasma angiotensin I concentration increased 8.6-fold 1 h after dosing. At 24 h, plasma angiotensin I and angiotensin II concentrations had returned to pretreatment levels, whereas plasma ACE activity was still inhibited by 56%. Four-week oral administration of moexipril (0.1-30 mg/kg/day) to spontaneously hypertensive rats lowered blood pressure and differentially inhibited ACE activity in plasma, lung, aorta, heart and kidney in a dose-dependent fashion [2, 3].

  • CAS Number: 82586-52-5
  • MF: C27H35ClN2O7
  • MW: 535.03
  • Catalog: Angiotensin-converting Enzyme (ACE)
  • Density: N/A
  • Boiling Point: 709.3ºC at 760 mmHg
  • Melting Point: 141-161ºC
  • Flash Point: 382.8ºC

Pefcalcitol

Pefcalcitol is a new antipsoriatic antedrug candidates having 16-en-22-oxa-vitamin D3 structures.

  • CAS Number: 381212-03-9
  • MF: C26H34F5NO4
  • MW: 519.544
  • Catalog: Inflammation/Immunology
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 614.0±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 325.1±31.5 °C