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

S49076

S49076 is a novel, potent inhibitor of MET, AXL/MER, and FGFR1/2/3 with IC50 values below 20 nM.

  • CAS Number: 1265965-22-7
  • MF: C22H22N4O4S
  • MW: 438.500
  • Catalog: c-Met/HGFR
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Odatroltide

Odatroltide, as a nanoscale P-selectin inhibitor, is a nano-delivery system of 6,7-dihydroxyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid and KPAK to target the thrombus[1].

  • CAS Number: 1639303-73-3
  • MF: C32H51N7O8
  • MW: 661.79
  • Catalog: Cardiovascular Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

poststerone

Poststerone is a nature product. Poststerone is a metabolite of insect metamorphosing substances from Cyathula capata[1].

  • CAS Number: 10162-99-9
  • MF: C21H30O5
  • MW: 362.46
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

SHP2-IN-20

SHP2-IN-20 (compound 193) is a SHP2 inhibitor with an IC50 value of 3 nM. SHP2-IN-20 can be used for glioblastoma research[1].

  • CAS Number: 2941498-94-6
  • MF: C25H24F2N6
  • MW: 446.50
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

OSS_128167

OSS_128167 is a selective SIRT6 inhibitor with IC50s of 89, 1578 and 751 μM for SIRT6, SIRT1 and SIRT2, respectively.

  • CAS Number: 887686-02-4
  • MF: C19H14N2O6
  • MW: 366.32
  • Catalog: Sirtuin
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Forsythoside H

Forsythoside H, a caffeoyl phenylethanoid glycoside (CPG) isolated from the fruits of Forsythia suspense (Thunb.) Vahl, may possesses anti-inflammatory activities[1].

  • CAS Number: 1178974-85-0
  • MF: C29H36O15
  • MW: 624.587
  • Catalog: Inflammation/Immunology
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 937.7±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 304.4±27.8 °C

D-Xylofuranose, 1,2,3,5-tetraacetate

D-Xylofuranose, 1,2,3,5-tetraacetate is the raw material for nucleotides synthesis[1].

  • CAS Number: 42927-46-8
  • MF: C13H18O9
  • MW: 318.27700
  • Catalog: DNA/RNA Synthesis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

RS Domain derived peptide

RS Domain derived peptide is a biological active peptide. (This peptide is a substrate for Clk/Sty and is phosphorylated by Clk/Sty protein kinase (Km=102 microM).)

  • CAS Number: 182570-72-5
  • MF: C44H85N25O15
  • MW: 1204.30
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

CY 208-243

CY 208-243 is a selective dopamine D1 receptor agonist which exhibits antiparkinsonian activity[1].

  • CAS Number: 100999-26-6
  • MF: C19H18N2
  • MW: 274.36000
  • Catalog: Dopamine Receptor
  • Density: 1.225 g/cm3
  • Boiling Point: 466.5ºC at 760 mmHg
  • Melting Point: 227-228ºC
  • Flash Point: 236ºC

L-Methionine-13C5

L-Methionine-13C5 is the 13C-labeled L-Methionine. L-Methionine is the L-isomer of Methionine, an essential amino acid for human development. Methionine acts as a hepatoprotectant.

  • CAS Number: 202326-57-6
  • MF: 13C5H11NO2S
  • MW: 154.17
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Baohuoside II

IKarisoside A(Icarisoside-A) is a natural compound isolated from Epimedium koreanum (Berberidaceae); has anti-inflammatory properties.IC50 value:Target: in vitro: Ikarisoside A inhibited the expression of LPS-stimulated inducible nitric oxide synthase (iNOS) and the production of nitric oxide (NO) in LPS-stimulated RAW 264.7 cells and mouse bone marrow-derived macrophages (BMMs) in a concentration-dependent manner. In addition, Ikarisoside A reduced the release of pro-inflammatory cytokines, such as tumor necrosis factor-alpha (TNF-alpha) and interleukin-1 beta (IL-1 beta). Furthermore, Ikarisoside A inhibited the activity of p38 kinase and nuclear factor-kappaB (NF-kappaB) [1]. Ikarisoside A is a potent inhibitor of osteoclastogenesis in RANKL-stimulated RAW 264.7 cells as well as in bone marrow-derived macrophages.The inhibitory effect of Ikarisoside A resulted in decrease of osteoclast-specific genes like matrix metalloproteinase 9 (MMP9), tartrate-resistant acid phosphatase (TRAP), receptor activator of NF-kappaB (RANK), and cathepsin K. Moreover, Ikarisoside A blocked the resorbing capacity of RAW 264.7 cells on calcium phosphate-coated plates. Ikarisoside A also has inhibitory effects on the RANKL-mediated activation of NF-kappaB, JNK, and Akt [2].

  • CAS Number: 55395-07-8
  • MF: C26H28O10
  • MW: 500.495
  • Catalog: Inflammation/Immunology
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 782.1±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 264.7±26.4 °C

Folinic acid

Folinic acid is an adjuvant used in cancer chemotherapy involving the drug methotrexate.Target: AntifolateFolinic acid is a 5-formyl derivative of tetrahydrofolic acid. It is readily converted to other reduced folic acid derivatives (e.g., tetrahydrofolate), and, thus, has vitamin activity that is equivalent to that of folic acid. Since it does not require the action of dihydrofolate reductase for its conversion, its function as a vitamin is unaffected by inhibition of this enzyme by drugs such as methotrexate. In 1980s, however, folinic acid was found to reactivate the dihydrofolate reductase itself even when methotrexate exists. Although the mechanism is not very clear, the polyglutamylation of methotrexate and dihydrofolate in malignant cells is considered to play an important role in the selective reactivation of dihydrofolate reductase by folinic acid in normal cells [1]. Folinic acid is generally administered along with MTX as a rescue agent to decrease MTX-induced toxicity. However, information regarding the inhibitory effect of folinic acid against cytogenetic damage caused by MTX is limited. This study was conducted to assess the cytogenetic effect of MTX and its inhibition by folinic acid (FA) using the micronucleus and chromosomal aberration assays concurrently [2].

  • CAS Number: 58-05-9
  • MF: C20H23N7O7
  • MW: 473.43900
  • Catalog: Antifolate
  • Density: 1.68g/cm3
  • Boiling Point: N/A
  • Melting Point: 245ºC (decomp)
  • Flash Point: N/A

KW-2449

KW-2449 is a multi-targeted kinase inhibitor of FLT3, ABL, ABLT315I and Aurora kinase with IC50s of 6.6, 14, 4 and 48 nM, respectively.

  • CAS Number: 1000669-72-6
  • MF: C20H20N4O
  • MW: 332.399
  • Catalog: Aurora Kinase
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 604.1±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 319.1±31.5 °C

Evifacotrep

Evifacotrep, a short transient receptor potential channel 5 (TRPC5) antagonist (WO2020061162, compound 100), can be used for the research of neurological diseases[1].

  • CAS Number: 2413739-88-3
  • MF: C18H12ClF4N5O2
  • MW: 441.77
  • Catalog: TRP Channel
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

D-Ribofuranose (9CI)

D-Ribofuranose (D-Ribose) is an endogenous metabolite present in Cerebrospinal_Fluid that can be used for the research of Ribose 5 Phosphate Isomerase Deficiency and Medium Chain Acyl Co A Dehydrogenase Deficiency[1][2].

  • CAS Number: 613-83-2
  • MF: C5H10O5
  • MW: 150.130
  • Catalog: Cardiovascular Disease
  • Density: 1.7±0.1 g/cm3
  • Boiling Point: 375.4±42.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 180.8±27.9 °C

Pomalidomide-C11-NH2

Pomalidomide-C11-NH2 is the Pomalidomide-based cereblon (CRBN) ligand used in the recruitment of CRBN protein. Pomalidomide-C11-NH2 can be connected to the ligand for protein by a linker to form PROTAC[1].

  • CAS Number: 2648285-39-4
  • MF: C24H34N4O4
  • MW: 442.55
  • Catalog: Ligand for E3 Ligase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Tamsulosin-d4 hydrochloride

Tamsulosin-d4 (hydrochloride) is deuterium labeled Tamsulosin (hydrochloride). Tamsulosin hydrochloride ((R)-(-)-YM12617) is an inhibitor of α1-adrenergic receptor. Tamsulosin hydrochloride is used for the research of prostatic hyperplasia. Tamsulosin hydrochloride attenuates abdominal aortic aneurysm growth in animal models[1].

  • CAS Number: 2518100-55-3
  • MF: C20H25D4ClN2O5S
  • MW: 449.00
  • Catalog: Adrenergic Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

(Ethoxymethyl)benzene

(Ethoxymethyl)benzene is an endogenous metabolite.

  • CAS Number: 539-30-0
  • MF: C9H12O
  • MW: 136.19100
  • Catalog: Metabolic Disease
  • Density: 0.938 g/cm3
  • Boiling Point: 185ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 52.9ºC

metixene

Metixene (Piperidine) is an anticholinergic and antiparkinsonian agent. Metixene potently inhibits binding of quinuclidinyl benzilate (QNB) with the muscarinic receptor, IC50 and Ki values of 55 nM and 15 nM, respectively. Metixene can be used for the research of parkinsonian[1][2][3].

  • CAS Number: 4969-02-2
  • MF: C20H23NS
  • MW: 309.46800
  • Catalog: Neurological Disease
  • Density: N/A
  • Boiling Point: bp0.07 171-175°
  • Melting Point: N/A
  • Flash Point: N/A

9-Anthracenecarboxylic acid

Anthracene-9-carboxylic acid (9-Anthracenecarboxylic acid) is an anthracene derivative traditionally used to block and identify Ca2+-activated Cl- currents (CaCCs) in various cell types, like diverse smooth muscle cells, epithelial cells and salivary gland cells[1].

  • CAS Number: 723-62-6
  • MF: C15H10O2
  • MW: 222.239
  • Catalog: Chloride Channel
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 467.5±14.0 °C at 760 mmHg
  • Melting Point: 213-217 °C(lit.)
  • Flash Point: 206.1±14.8 °C

Ursodeoxycholic acid sodium

Ursodeoxycholic acid (Ursodeoxycholate) sodium is a secondary bile acid issued from the transformation of (cheno)deoxycholic acid by intestinal bacteria, acting as a key regulator of the intestinal barrier integrity and essential for lipid metabolism. Ursodeoxycholic acid sodium acts as signaling molecule, exerting its effects by interacting with bile acid activated receptors, including G-protein coupled bile acid receptor 5 (TGR5, GPCR19) and the farnesoid X receptor (FXR). Ursodeoxycholic acid sodium can be used for the research of a variety of hepatic and gastrointestinal diseases. Orally active[1][2].

  • CAS Number: 2898-95-5
  • MF: C24H39NaO4
  • MW: 414.554
  • Catalog: GPCR19
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Eflornithine (hydrochloride, hydrate)

Eflornithine hydrochloride, hydrate is a specific, irreversible inhibitor of the enzyme ornithine decarboxylase. Eflornithine is a medication for the treatment of African trypanosomiasis and excessive facial hair growth in women.

  • CAS Number: 96020-91-6
  • MF: C6H15ClF2N2O3
  • MW: 236.64500
  • Catalog: Others
  • Density: 1.293g/cm3
  • Boiling Point: 347ºC at 760mmHg
  • Melting Point: >210ºC (dec.)
  • Flash Point: 163.7ºC

lemborexant

Lemborexant (E-2006) is a dual antagonist of the orexin OX1 and OX2 receptors which is under development for treatment of insomnia.

  • CAS Number: 1369764-02-2
  • MF: C22H20F2N4O2
  • MW: 410.417
  • Catalog: Orexin Receptor (OX Receptor)
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 596.1±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 314.3±30.1 °C

2-Deoxy-D-glucose-13C-1

2-Deoxy-D-glucose-13C-1 is the 13C labeled 2-Deoxy-D-glucose. 2-Deoxy-D-glucose is a glucose analog that acts as a competitive inhibitor of glucose metabolism, inhibiting glycolysis via its actions on hexokinase[1][2].

  • CAS Number: 119897-50-6
  • MF: C6H12O5
  • MW: 165.14900
  • Catalog: HSV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Royal Jelly acid

Royal Jelly acid (Queen Bee Acid) is a fatty acid constituent of royal jelly, promotes the growth and protection of neurons, reduces anxiety-like phenotypes[1].

  • CAS Number: 14113-05-4
  • MF: C10H18O3
  • MW: 186.25
  • Catalog: Neurological Disease
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 339.2±15.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 173.1±16.9 °C

Diethylaminoethyl

Aprophen (Aprofene) is an antimuscarinic inhibitor. Aprophen can be used for the research of central nervous system[1].

  • CAS Number: 3563-01-7
  • MF: C21H27NO2
  • MW: 325.44500
  • Catalog: mAChR
  • Density: 1.041g/cm3
  • Boiling Point: 434.8ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 132.5ºC

Nortrachelogenin 4'-O-β-gentiobioside

Nortrachelogenin 4'-O-β-gentiobioside (compound 20) is a lignan isolated from the aerial parts of Trachelospermius[1].

  • CAS Number: 1961246-09-2
  • MF: C32H42O17
  • MW: 698.67
  • Catalog: Others
  • Density: 1.59±0.1 g/cm3(Predicted)
  • Boiling Point: 962.6±65.0 °C(Predicted)
  • Melting Point: N/A
  • Flash Point: N/A

WAY-304671

WAY-304671 is an active molecule and a potential ubiquitin ligase inhibitor.

  • CAS Number: 330837-95-1
  • MF: C16H9ClN2OS2
  • MW: 344.83846
  • Catalog: Others
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Mal-amido-PEG3-acid

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

  • CAS Number: 2055353-75-6
  • MF: C16H24N2O8
  • MW: 372.37
  • Catalog: PROTAC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

(+)-4-CHLOROTARTRANILICACID

L-Allooctopine is a competitive inhibitor of D-octopine[1].

  • CAS Number: 63358-47-4
  • MF: C9H18N4O4
  • MW: 246.26400
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A