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

5-(N,N-Hexamethylene)-amiloride

5-(N,N-Hexamethylene)-amiloride (Hexamethylene amiloride) derives from an amiloride and is a potent Na+/H+ exchanger inhibitor, which decreases the intracellular pH (pHi) and induces apoptosis in leukemic cells. 5-(N,N-Hexamethylene)-amiloride (Hexamethylene amiloride) is also an inhibitor of the HIV-1 Vpu virus ion channel and inhibits mouse hepatitis virus (MHV) replication and human coronavirus 229E (HCoV229E) replication in cultured L929 cells with EC50s of 3.91 μM and 1.34 μM, respectively[1][2].

  • CAS Number: 1428-95-1
  • MF: C12H18ClN7O
  • MW: 311.77100
  • Catalog: HIV
  • Density: 1.63g/cm3
  • Boiling Point: 638.2ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 339.8ºC

PD-159020

PD-159020 is a non-selective ETA/ETB antagonist, with IC50s of 30 and 50 nM for hETA and hETB, respectively.

  • CAS Number: 177904-00-6
  • MF: C32H25NO8
  • MW: 551.543
  • Catalog: Endothelin Receptor
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 758.3±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 412.4±32.9 °C

B-Raf IN 13

B-Raf IN 13 is a BRAF inhibitor with an IC50 of 3.55 nM in BRAF V600E enzyme assay. B-Raf IN 13 has anticaner effects (WO2020261156A1, Example 74)[1].

  • CAS Number: 2573782-74-6
  • MF: C19H19ClFN3O4S
  • MW: 439.89
  • Catalog: Raf
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Bis-PEG1-acid

Bis-PEG1-acid is a PEG-based PROTAC linker can be used in the synthesis of PROTACs[1].

  • CAS Number: 5961-83-1
  • MF: C6H10O5
  • MW: 162.14100
  • Catalog: PROTAC Linker
  • Density: 1.316g/cm3
  • Boiling Point: 371.4ºC at 760 mmHg
  • Melting Point: 60-61°C(lit.)
  • Flash Point: 158.7ºC

AZD7254

AZD7254 is an orally active Smoothened (SMO) inhibitor with an EC50 of 1.0 nM against sonic Hh protein (shh)[1].

  • CAS Number: 1126366-28-6
  • MF: C24H22N4O2
  • MW: 398.46
  • Catalog: Smo
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

7-Methyl-d3-1-octyl-7,8,8,8-d4 Alcohol

7-Methyl-d3-1-octyl-7,8,8,8-d3 Alcohol is the deuterium labeled 7-Methyl-d3-1-octyl Alcohol[1].

  • CAS Number: 1794753-02-8
  • MF: C9H13D7O
  • MW: 151.30
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

SPPHPSPAFSPAFDNLYYWDQ

SPPHPSPAFSPAFDNLYYWDQ is a multi-epitope class II rat HER2/neu peptide. SPPHPSPAFSPAFDNLYYWDQ can be used for the research class II HER2-DC1 vaccine studies[1].

  • CAS Number: 1443436-80-3
  • MF: C116H150N26O33
  • MW: 2436.59
  • Catalog: Inflammation/Immunology
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

H-Val-Ala-OH

H-Val-Ala-OH (Valyl-alanine) is a dipeptide formed from L-Valine and L-Alanine residues. H-Val-Ala-OH has a role as a metabolite[1].

  • CAS Number: 27493-61-4
  • MF: C8H16N2O3
  • MW: 188.22400
  • Catalog: Metabolic Disease
  • Density: 1.134g/cm3
  • Boiling Point: 401.8ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 196.8ºC

BAY-1316957

BAY-1316957 is a highly potent and selective EP4 receptor antagonist with an IC50 of 15.3 nM. Good oral bioavailability[1].

  • CAS Number: 1613264-40-6
  • MF: C27H27N3O3
  • MW: 441.52
  • Catalog: Prostaglandin Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

WAY-604440

WAY-604440 is an active molecule.

  • CAS Number: 501113-03-7
  • MF: C16H13ClN4OS
  • MW: 344.82
  • Catalog: Others
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 597.0±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 314.9±32.9 °C

CT7001 hydrochloride

CT7001 hydrochloride is a selective CDK7 inhibitor, with IC50s of 41 nM and 578 nM for CDK7/CycH/MAT1 and CDK2/cycE1, respectively.

  • CAS Number: 1805789-54-1
  • MF: C22H31ClN6O
  • MW: 430.97
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Sideroxylin

Sideroxylin is a C-methylated flavone isolated from Callistemon lanceolatus and exerts antimicrobial activity against Staphylococcus aureus. Sideroxylin inhibits ovarian cancer cell proliferation and induces apoptosis, causing DNA fragmentation, depolarization of the mitochondrial membrane, the generation of reactive oxygen species (ROS)[1].

  • CAS Number: 3122-87-0
  • MF: C18H16O5
  • MW: 312.317
  • Catalog: Bacterial
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 565.5±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 210.3±23.6 °C

D-Phenyl-D5-Alanine

D-Phenylalanine-d5 is the deuterium labeled D-Phenylalanine. D-Phenylalanine is the synthetic dextro isomer of phenylalanine. D-Phenylalanine inhibits biofilm development of Pseudoalteromonas sp. SC2014[1].

  • CAS Number: 362049-55-6
  • MF: C9H6D5NO2
  • MW: 170.220
  • Catalog: Others
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 307.5±30.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 139.8±24.6 °C

probenecid

Probenecid is a potent and selective agonist of transient receptor potential vanilloid 2 (TRPV2) channels.

  • CAS Number: 57-66-9
  • MF: C13H19NO4S
  • MW: 285.359
  • Catalog: Bacterial
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 438.0±47.0 °C at 760 mmHg
  • Melting Point: 194-196°C
  • Flash Point: 218.7±29.3 °C

Arprinocid

Arprinocid is a purine analog with activity against murine Toxoplasma gondii[1].

  • CAS Number: 55779-18-5
  • MF: C12H9ClFN5
  • MW: 277.68
  • Catalog: Infection
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 504.6±60.0 °C at 760 mmHg
  • Melting Point: 441ºC
  • Flash Point: 259.0±32.9 °C

OP-3633

OP-3633 is a potent and selective steroidal glucocorticoid receptor (GR) antagonist with an IC50 of 29 nM, with inhibition of GR transcriptional activity. OP-3633 exhibits low progesterone receptor (PR) agonism and androgen receptor (AR) antagonism[1].

  • CAS Number: 2102494-14-2
  • MF: C30H39NO2
  • MW: 445.64
  • Catalog: Glucocorticoid Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

2-Ethoxybenzamide

2-Ethoxybenzamide is widely used as an antipyretic anodyne.

  • CAS Number: 938-73-8
  • MF: C9H11NO2
  • MW: 165.189
  • Catalog: Others
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 302.0±25.0 °C at 760 mmHg
  • Melting Point: 129-134 °C
  • Flash Point: 153.7±19.5 °C

MeOSuc-Ala-Ala-Pro-Val-pNA

MeOSuc-Ala-Ala-Pro-Val-pNA is a sensitive fluorogenic substrate of human leukocyte and porcine pancreatic elastase[1].

  • CAS Number: 70967-90-7
  • MF: C27H38N6O9
  • MW: 590.62500
  • Catalog: Others
  • Density: 1.297g/cm3
  • Boiling Point: 908.4ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 503.2ºC

TSPO ligand-3

TSPO ligand-3 is a ligand of AUTAC2. AUTAC2 contains an p-fluorobenzylguanine (FBnG) and an synthetic ligand of FKBP (SLF) moiety, which can cause significant silencing of FKBP12 in HeLa cells[1].

  • CAS Number: 2241669-89-4
  • MF: C34H44N2O9
  • MW: 624.72
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

DDAO phosphate diammonium

DDAO phosphate (diammonium) is a fluorescent phosphatase substrate. DDAO phosphate (diammonium) has tunable excitation wavelength (600-650nm) and long emission wavelength (λem=656nm). DDAO phosphate (diammonium) can be used to detect the activity of different enzymes such as β-galactosidase, sulfatase, protein phosphatase 2A, carboxylesterase 2, human albumin and esterase.

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

1,2,3,6-Tetrahydro-2,3'-bipyridine

(R,S)-Anatabine is a a minor tobacco alkaloid found in the Solanaceae family of plants that can be used as a specific marker for the detection of tobacco use[1].

  • CAS Number: 2743-90-0
  • MF: C10H12N2
  • MW: 160.216
  • Catalog: Others
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 269.0±28.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 116.5±24.0 °C

Alanine-15N

DL-Alanine-15N is the 15N labeled DL-Alanine[1]. DL-alanine, an amino acid, is the racemic compound of L- and D-alanine. DL-alanine is employed both as a reducing and a capping agent, used with silver nitrate aqueous solutions for the production of nanoparticles. DL-alanine can be used for the research of transition metals chelation, such as Cu(II), Zn(II), Cd(11). DL-alanine, a sweetener, is classed together with glycine, and sodium saccharin. DL-alanine plays a key role in the glucose-alanine cycle between tissues and liver[2][3][4][5][6][7].

  • CAS Number: 71261-64-8
  • MF: C3H7NO2
  • MW: 89.093
  • Catalog: Metabolic Disease
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 212.9±23.0 °C at 760 mmHg
  • Melting Point: 289ºC (dec.)(lit.)
  • Flash Point: 82.6±22.6 °C

etoricoxib

Etoricoxib is a non steroidal anti-inflammatory agent, acting as a selective and orally active COX-2 inhibitor, with IC50s of 1.1 μM and 116 μM for COX-2 and COX-1 in human whole blood.

  • CAS Number: 202409-33-4
  • MF: C18H15ClN2O2S
  • MW: 358.842
  • Catalog: Inflammation/Immunology
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 510.0±50.0 °C at 760 mmHg
  • Melting Point: 134-135°C
  • Flash Point: 262.2±30.1 °C

ZM 336372

ZM 336372 is a potent inhibitor of the protein kinase c-Raf. The IC50 value is 0.07 μM in the standard assay, which contains 0.1 mM ATP.

  • CAS Number: 208260-29-1
  • MF: C23H23N3O3
  • MW: 389.447
  • Catalog: Cancer
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 484.4±45.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 246.8±28.7 °C

(1S,3R,6S,8R,9S,10E,12S,14S)-6,9,14-Tris(acetyloxy)-3,12-dihydroxy-1,5,16,16-tetramethyltricyclo[9.3.1.14,8]hexadeca-4,10-dien-2-one

Taxuspine W is a natural product, that can be isolated from the Japanese Yew Taxus cuspidata[1].

  • CAS Number: 181309-92-2
  • MF: C26H36O9
  • MW: 492.56
  • Catalog: Others
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 605.1±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 195.1±25.0 °C

Bavituximab

Bavituximab (Anti-Human Phosphatidylserine Recombinant Antibody) is a phosphatidylserine (PS)-targeting monoclonal antibody, suppresses tumor growth by targeting tumor vasculature and reactivating antitumor immunity. Bavituximab plus Paclitaxel (HY-B0015) and Carboplatin (HY-17393), have enhanced inhibition on non-small-cell lung cancer[1].

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

Glycerol phosphate dehydrogenase

Glycerol phosphate dehydrogenase catalyzes the conversion of dihydroxyacetone phosphate to α-glycerol phosphate[1].

  • CAS Number: 9075-65-4
  • MF: C21H14BrF3N2O2S
  • MW: 495.312
  • Catalog: Metabolic Disease
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 621.8±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 329.9±34.3 °C

BTZ043

BTZ043 is an inhibitor of decaprenyl-phosphoribose-epimerase (DprE1), with MICs of of 2.3 nM and 9.2 nM for M. tuberculosis H37Rv and Mycobacterium smegmatis, respectively.

  • CAS Number: 1161233-85-7
  • MF: C17H16F3N3O5S
  • MW: 431.386
  • Catalog: Bacterial
  • Density: 1.7±0.1 g/cm3
  • Boiling Point: 547.6±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 285.0±32.9 °C

CX 717

CX 717 is a positive allosteric modulator of AMPA receptor. Antidepressant-like effect. CX 717 can be used for the research of adult attention deficit hyperactivity disorder (ADHD)[1][2].

  • CAS Number: 867276-98-0
  • MF: C11H11N3O3
  • MW: 233.223
  • Catalog: iGluR
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 422.1±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 209.1±31.5 °C

VER 49009

VER-49009 is a Hsp90 inhibitor, with an IC50 of 25 nM and a Kd of 78 nM.

  • CAS Number: 558640-51-0
  • MF: C19H18ClN3O4
  • MW: 387.817
  • Catalog: Cancer
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 620.2±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 328.9±31.5 °C