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

Cyclorasin 9A5

Cyclorasin 9A5 is an 11-residue cell-permeable cyclic peptide that orthosterically inhibits the Ras-Raf protein interaction with an IC50 of 120 nM[1].

  • CAS Number: 1782098-79-6
  • MF: C75H108FN25O13
  • MW: 1586.82
  • Catalog: Ras
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

ASP 2535

A potent, selective, brain permeable, orally available glycine transporter-1 (GlyT1) inhibitor with IC50 of 92 nM (rat GlyT1), 50-fold selectivity over GlyT2; shows minimal affinity for many other receptors except for μ-opioid receptors (IC50=1.83 uM); inhibits ex vivo [(3)H]-glycine uptake in mouse cortical homogenate, improves cognition in animal models of cognitive impairment in schizophrenia and Alzheimer's disease. Schizophrenia Phase 1 Discontinued

  • CAS Number: 374886-51-8
  • MF: C22H18N6O
  • MW: 382.418
  • Catalog: GlyT
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 607.3±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 321.1±34.3 °C

trans-2-Undecenoic acid

trans-2-Undecenoic acid ((E)-2-Undecenoic acid) is an α,β-unsaturated carboxylic acid and is characterized by acid dimers. The corresponding dimers are connected via intermolecular hydrogen bonds of the carboxylic groups C=O···H-O[1].

  • CAS Number: 15790-94-0
  • MF: C11H20O2
  • MW: 184.27500
  • Catalog: Others
  • Density: 0.929g/cm3
  • Boiling Point: 295.4ºC at 760mmHg
  • Melting Point: 8.5 °C(estimate)
  • Flash Point: 201.1ºC

LHRH (chicken) trifluoroacetate salt

[Gln8]-C517 (LH-RH), chicken is an avian hypothalamic peptide, which stimulates release of gonadotropins from anterior pituitary, thus regulating reproductive functions.

  • CAS Number: 47922-48-5
  • MF: C54H71N15O14
  • MW: 1154.23000
  • Catalog: Others
  • Density: 1.398g/cm3
  • Boiling Point: 1812ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 1049.7ºC

Fradafiban

Fradafiban is a nonpeptide platelet glycoprotein IIb/IIIa antagonist, which binds to the human platelet GP IIb/IIIa complex with a Kd value of 148 nM.

  • CAS Number: 148396-36-5
  • MF: C20H21N3O4
  • MW: 367.39800
  • Catalog: Integrin
  • Density: 1.38g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

CGP-53153

CGP-53153 is a steroidal inhibitor of 5 alpha reductase with IC50s of 36 and 262 nM in rat and human prostatic tissue, respectively.

  • CAS Number: 149281-19-6
  • MF: C23H33N3O2
  • MW: 383.52700
  • Catalog: 5 alpha Reductase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

SU3327

SU3327 is a potent, selective and substrate-competitive JNK inhibitor with an IC50 of 0.7 μM. SU3327 also inhibits protein-protein interactions between JNK and JNK Interacting Protein (JIP) with an IC50 of 239 nM. SU3327 shows less active against p38α and Akt kinase[1][2].

  • CAS Number: 40045-50-9
  • MF: C5H3N5O2S3
  • MW: 261.30500
  • Catalog: JNK
  • Density: 1.888g/cm3
  • Boiling Point: 549.841ºC at 760 mmHg
  • Melting Point: 160 °C(dec.)
  • Flash Point: 286.334ºC

Linalool oxide

Linalool oxide is a secondary metabolite in elongating wheat plants with antinociceptive and anticonvulsant effects. Linalool oxide shows anxiolytic activity[1][2][3].

  • CAS Number: 60047-17-8
  • MF: C10H18O2
  • MW: 170.24900
  • Catalog: Neurological Disease
  • Density: 0.945 g/mL at 20 °C(lit.)
  • Boiling Point: 188°C
  • Melting Point: N/A
  • Flash Point: 63°C

Elamipretide TFA

Elamipretide TFA (MTP-131 TFA; RX-31 TFA; SS-31 TFA) is a cardiolipin peroxidase inhibitor and mitochondria-targeting peptide[1].

  • CAS Number: 1606994-55-1
  • MF: C34H50F3N9O7
  • MW: 753.81
  • Catalog: Mitochondrial Metabolism
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Alectinib-d6

Alectinib-d6 is deuterium labeled Alectinib. Alectinib (CH5424802) is a potent, selective, and orally available ALK inhibitor with an IC50 of 1.9 nM and a Kd value of 2.4 nM (in an ATP-competitive manner), and also inhibits ALK F1174L and ALK R1275Q with IC50s of 1 nM and 3.5 nM, respectively[1]. Alectinib demonstrates effective central nervous system (CNS) penetration[2].

  • CAS Number: 1616374-19-6
  • MF: C30H28D6N4O2
  • MW: 488.65
  • Catalog: ALK
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Dehydro-alpha-lapachone

Dehydro-α-lapachone can be isolated from the methanol extract of stems of Catalpa ovata G Don. Dehydro-α-lapachone inhibits mycelial growth of Botrytis cinerea with IC50 value 0.41 mg/L[1].

  • CAS Number: 15297-92-4
  • MF: C15H12O3
  • MW: 240.25
  • Catalog: Fungal
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 395.2±42.0 °C at 760 mmHg
  • Melting Point: 145 °C
  • Flash Point: 177.0±27.9 °C

(-)-citronellal

(S)-(-)-Citronellal ((-)-Citronellal) is a monoterpenoid compound found in Corymbia citriodora and Cymbopogon nardus essential oils[1][2].

  • CAS Number: 5949-05-3
  • MF: C10H18O
  • MW: 154.249
  • Catalog: Others
  • Density: 0.8±0.1 g/cm3
  • Boiling Point: 208.4±9.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 75.6±0.0 °C

Malacidin B

Malacidin B is a macrocyclic lipopeptide antibiotic that shows antibacterial activity in a calcium-dependent manner[1][2].

  • CAS Number: 2254483-96-8
  • MF: C57H90N12O20
  • MW: 1263.39
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

(-)-BAY-1251152

(-)-BAY-1251152 is an enanthiomer of BAY-1251152 with rotation (-). BAY-1251152 is a potent and highly selective PTEF/CDK9 inhibitor.

  • CAS Number: 1610358-59-2
  • MF: C19H18F2N4O2S
  • MW: 404.43
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

GB-6

GB-6 is a short linear peptide that targets the gastrin releasing peptide receptor (GRPR). GRPR is overexpressed in pancreatic cancer. Based on the tumor selectivity and tumor-specific accumulation properties of GB-6, GB-6 labeled with near infrared (NIR) fluorescent dyes or radionuclide netium-99m (99mTc) can be used as a high-contrast imaging probe. GB-6 has excellent in vivo stability, with tumor to pancreatic and intestinal fluorescence signal ratios of 5.2 and 6.3, respectively, in SW199 0 subcutaneous xenograft models. GB-6 can rapidly target tumors and accurately delineate tumor boundaries, which has broad application prospects[1].

  • CAS Number: 2413262-74-3
  • MF: C32H45N11O8
  • MW: 711.77
  • Catalog: Bombesin Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

N-Benzyl-2-methylpropan-2-amine-d9

N-Benzyl-2-methylpropan-2-amine-d9 is the deuterium labeled N-Benzyl-2-methylpropan-2-amine[1].

  • CAS Number: 1060688-77-8
  • MF: C11H17N
  • MW: 163.259
  • Catalog: Others
  • Density: 0.9±0.1 g/cm3
  • Boiling Point: 220.5±9.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 80.0±0.0 °C

TVB-3664

TVB-3664 is an orally available, reversible, potent, selective and highly bioavailable fatty acid synthase (FASN) inhibitor, with IC50 values of 18 nM and 12 nM for human and mouse cell palmitate synthesis, respectively. TVB-3664 significantly reduces tubulin palmitoylation and mRNA expression[1][2].

  • CAS Number: 2097262-58-1
  • MF: C25H23F3N4O2
  • MW: 468.47
  • Catalog: Fatty Acid Synthase (FAS)
  • Density: 1.36±0.1 g/cm3(Predicted)
  • Boiling Point: 665.7±55.0 °C(Predicted)
  • Melting Point: N/A
  • Flash Point: N/A

Amyloid β-Protein (1-12) trifluoroacetate salt

Amyloid β-Protein (1-12) is a biologically active peptide.

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

2-Oxovaleric acid

2-Oxovaleric acid is a keto acid that is found in human blood.

  • CAS Number: 1821-02-9
  • MF: C5H8O3
  • MW: 116.11500
  • Catalog: Others
  • Density: 1.110 g/mL at 20 °C(lit.)
  • Boiling Point: 88-90 °C12 mm Hg(lit.)
  • Melting Point: 7-9 °C(lit.)
  • Flash Point: 94°C

Fmoc-Asn(Trt)-Ser(psi(Me,Me)pro)-OH

Fmoc-Asn(Trt)-Ser(psi(Me,Me)pro)-OH is a dipeptide.

  • CAS Number: 920519-33-1
  • MF: C44H41N3O7
  • MW: 723.81200
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

2-Phenylacetamide

2-Phenylacetamide is an endogenous metabolite.

  • CAS Number: 103-81-1
  • MF: C8H9NO
  • MW: 135.163
  • Catalog: Metabolic Disease
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 312.2±21.0 °C at 760 mmHg
  • Melting Point: 156 °C
  • Flash Point: 142.6±22.1 °C

N-(2H3)Ethanoyl(2H4)acetamide

Diacetamide-d7 is the deuterium labeled Diacetamide[1].

  • CAS Number: 33945-50-5
  • MF: C4D7NO2
  • MW: 108.147
  • Catalog: Others
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 223.5±0.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 101.8±18.9 °C

Dihydrodehydrodiconiferyl alcohol 9-Oglucoside

Dihydrodehydrodiconiferyl alcohol 9-Oglucoside can be extracted from G. mangostana L[1].

  • CAS Number: 106758-58-1
  • MF: C26H34O11
  • MW: 522.54
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Cinperene

Cinperene is an atropine-like drug which can block pilocarpine-induced lacrimation and salivation.

  • CAS Number: 14796-24-8
  • MF: C25H28N2O2
  • MW: 388.50200
  • Catalog: Neurological Disease
  • Density: 1.157g/cm3
  • Boiling Point: 596.7ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 314.7ºC

BMS-753426

BMS-753426 is a potent and orally bioavailable antagonist of CCR2.

  • CAS Number: 1004536-52-0
  • MF: C25H33F3N6O2
  • MW: 506.56
  • Catalog: CCR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Anticancer agent 48

Anticancer agent 48 (compound 48) is a broad spectrum anticancer agent. Anticancer agent 48 inhibits tubulin polymerization. Anticancer agent 48 shows antiproliferative activity. Anticancer agent 48 shows antitumor activity in vivo. Anticancer agent 48 has the potential for the research of solid and hematological tumors[1].

  • CAS Number: 2395009-13-7
  • MF: C26H25N3O4
  • MW: 443.49
  • Catalog: Microtubule/Tubulin
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Maceneolignan H

Maceneolignan H (Compound 8) is a neolignane compound isolated from the arils of Myristica fragrans. Maceneolignan H is a selective CCR3 antagonist (EC50 = 1.4 μM). Maceneolignan H has the potential for the research of allergic diseases[1].

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

PF-06455943

PF-06455943 is a leucine rich repeat kinase 2 (LRRK2) inhibitor with IC50 value of 3 nM. PF-06455943 also is a PET radioligand. PF-06455943 can be used for the research of ADME/neuro PK characterization and Parkinson disease (PD)[1][2].

  • CAS Number: 1527474-15-2
  • MF: C17H14FN5O
  • MW: 323.32
  • Catalog: LRRK2
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Bruceine B

Bruceine B inhibits protein synthesis and nucleic acid synthesis[1].

  • CAS Number: 25514-29-8
  • MF: C23H28O11
  • MW: 480.46200
  • Catalog: Infection
  • Density: 1.52g/cm3
  • Boiling Point: 701.8ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 241.4ºC

L-1-Phosphatidylethanolamine

Glycerophospholipids, cephalins are a class of phospholipids. Complete hydrolysis of Glycerophospholipids and cephalins yielded 1 mol glycerol, phosphoric acid, ethanolamine and 2 mol fatty acid[1].

  • CAS Number: 39382-08-6
  • MF: C40H80NO8P
  • MW: 734.039
  • Catalog: Others
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 751.1±70.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 408.1±35.7 °C