Chemsrc provides Signaling Pathways's classification. They are divided into Anti-infection, Antibody-drug Conjugate, Apoptosis, Autophagy, Cell Cycle/DNA Damage, Cytoskeleton, Epigenetics, GPCR/G Protein, Immunology/Inflammation, JAK/STAT Signaling, MAPK/ERK Pathway, Membrane Transporter/Ion Channel, Metabolic Enzyme/Protease, Neuronal Signaling, NF-κB, PI3K/Akt/mTOR, PROTAC, Protein Tyrosine Kinase/RTK, Stem Cell/Wnt, TGF-beta/Smad, Vitamin D Related, Others 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

Benzbromarone

Benzbromarone is a highly effective and well tolerated non-competitive inhibitor of xanthine oxidase, used as an uricosuric agent, used in the treatment of gout.

  • CAS Number: 3562-84-3
  • MF: C17H12Br2O3
  • MW: 424.083
  • Catalog: Xanthine Oxidase
  • Density: 1.7±0.1 g/cm3
  • Boiling Point: 514.1±50.0 °C at 760 mmHg
  • Melting Point: 161 - 163ºC
  • Flash Point: 264.7±30.1 °C

Dihydro Donepezil

Dihydro Donepezil (Dihydro E2020) is a metabolite of Donepezil. Donepezil is a specific and potent AChE inhibitor with IC50s of 8.12 nM and 11.6 nM for bAChE and hAChE, respectively[1].

  • CAS Number: 120012-04-6
  • MF: C24H31NO3
  • MW: 381.50800
  • Catalog: AChE
  • Density: N/A
  • Boiling Point: 520.367ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 268.509ºC

Neuroinflammatory-IN-1

Neuroinflammatory-IN-1 (Compound 5) is an anti-neuroinflammatory agent and displays inhibitory effect on nitric oxide (NO) production with an IC50 value of 65.4 μM[1].

  • CAS Number: 83988-97-0
  • MF: C24H30O4
  • MW: 382.49
  • Catalog: Inflammation/Immunology
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

NR2F6 modulator-1

NR2F6 modulator-1 is a potent nuclear receptor subfamily 2, group F, member 6 (NR2F6) modulator. NR2F6 modulator-1 can be used for researching immune modulation and modulation of cancer stem cell activity[1].

  • CAS Number: 904449-84-9
  • MF: C23H17NO5S
  • MW: 419.45
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Boc-Asp(OtBu)-OH.DCHA

Boc-Asp(OtBu)-OH.DCHA is an aspartic acid derivative[1].

  • CAS Number: 1913-12-8
  • MF: C25H46N2O6
  • MW: 470.642
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

2,3,5-Tri-O-benzyl-D-ribonolactone

2,3,5-Tri-O-benzyl-D-ribono-1,4-lactone is a purine nucleoside analog. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1].

  • CAS Number: 55094-52-5
  • MF: C26H26O5
  • MW: 418.48
  • Catalog: Nucleoside Antimetabolite/Analog
  • Density: 1.21±0.1 g/cm3
  • Boiling Point: 576.8±50.0 °C
  • Melting Point: 54-55 °C
  • Flash Point: N/A

MHY-1685

MHY-1685, a novel mammalian target of rapamycin (mTOR) inhibitor, provides opportunities to improve hCSC-based myocardial regeneration.

  • CAS Number: 27406-31-1
  • MF: C11H8N2O4
  • MW: 232.19
  • Catalog: mTOR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

1,2-Dimyristoyl-sn-glycero-3-phosphocholine-d13

1,2-Dimyristoyl-sn-glycero-3-phosphocholine-d13 is deuterium labeled 1,2-Dimyristoyl-sn-glycero-3-phosphocholine. 1,2-Dimyristoyl-sn-glycero-3-phosphocholine (DMPC) is a synthetic phospholipid used in liposomes. 1,2-Dimyristoyl-sn-glycero-3-phosphocholine

  • CAS Number: 326495-28-7
  • MF: C36H59D13NO8P
  • MW: 691.01
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

2'-Azido-2'-deoxyuridine

2'-Azido-2'-deoxyuridine (N3dUrd) is a ribonucleotide reductase inhibitor. 2'-Azido-2'-deoxyuridine has anti-cancer activity[1].

  • CAS Number: 26929-65-7
  • MF: C9H11N5O5
  • MW: 269.214
  • Catalog: DNA/RNA Synthesis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: 149-153ºC
  • Flash Point: N/A

Lucidadiol

Lucidadiol is a natural compound isolated from Ganoderma lucidum. Lucidadiol exhibits acetylcholinesterase-inhibitory activity, with IC50 values of 31 μM. Lucidadiol shows antiviral activity against influenza virus type A and HSV type 1[1][2].

  • CAS Number: 252351-95-4
  • MF: C30H48O3
  • MW: 456.700
  • Catalog: HSV
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 569.8±50.0 °C at 760 mmHg
  • Melting Point: 163-165℃
  • Flash Point: 312.4±26.6 °C

Hypoglaunine A

Hypoglaunine A is a sesquiterpene pyridine alkaloid isolated from the bark of the roots of Tripterygium hypoglaucum, a traditional Chinese medicine often used as a cancer and insecticide treatment[1].

  • CAS Number: 228259-16-3
  • MF: C41H47NO20
  • MW: 873.807
  • Catalog: Others
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 865.6±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 477.3±34.3 °C

Bavtavirine

Bavtavirine is a potent non-nucleoside reverse transcriptase inhibitors (NNRTIs). Bavtavirine is part of highly active antitiretroviral therapy (HAART) treatment regimen. Bavtavirine can be used for HIV disease research[1].

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

β-Amyloid 1-9

β-Amyloid (1-9), an N-terminal fragment of beta amyloid, consists of amino acid residues 1 to 9. β-Amyloid (1-9) contains a B cell epitope, but it does not include T cell epitopes. Omission of residues 1 to 9 from the full-length Alzheimer'sβ-Amyloid peptide 1 to 40 does not prevent the peptide from forming amyloid fibrils or eliminate fibril polymorphism [1][2].

  • CAS Number: 147529-30-4
  • MF: C42H60N14O17
  • MW: 1033.01
  • Catalog: Neurological Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

BTK-IN-27

BTK-IN-27 (example 8) is a BTK inhibitor (IC50: 0.2 nM). BTK-IN-27 shows anti-proliferative activity in TMD8 cells (IC50: < 5 nM). BTK-IN-27 can be used for research of cancer, lymphoma, leukemia and immunological diseases[1].

  • CAS Number: 1841502-36-0
  • MF: C31H35N7O2
  • MW: 537.66
  • Catalog: Btk
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

CCMI

CCMI is a potent and selective α7 nAChR-positive allosteric modulator, does not bind to or activate α7 nAChRs via the orthosteric site, and causes significant positive modulation of agonist-induced currents at α7 nAChRs. CCMI has potential in CNS diseases with cognitive dysfunction[1].

  • CAS Number: 917837-54-8
  • MF: C19H15Cl2N3O2
  • MW: 388.24700
  • Catalog: nAChR
  • Density: 1.412±0.06 g/cm3(Predicted)
  • Boiling Point: 605.4±55.0 °C
  • Melting Point: N/A
  • Flash Point: N/A

Insulin icodec

Insulin icodec is a basal insulin analog. Insulin icodec can be used for the research of type 2 diabetes[1].

  • CAS Number: 1188379-43-2
  • MF: C280H435N71O87S6
  • MW: 6380.26
  • Catalog: Metabolic Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

3-Cyclopropyl-L-alanine

(S)-2-Amino-3-cyclopropylpropanoic acid is an alanine derivative[1].

  • CAS Number: 102735-53-5
  • MF: C6H11NO2
  • MW: 129.15700
  • Catalog: Others
  • Density: 1.218 g/cm3
  • Boiling Point: 258ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 109.9ºC

Bictegravir

Bictegravir is a novel, potent inhibitor of HIV-1 integrase with an IC50 of 7.5 nM.

  • CAS Number: 1611493-60-7
  • MF: C21H18F3N3O5
  • MW: 449.380
  • Catalog: HIV
  • Density: 1.62±0.1 g/cm3
  • Boiling Point: 682.5±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 366.6±31.5 °C

Isoliensinine

Isoliensinine is a bisbenzylisoquinoline alkaloid extracted from the seed embryo of Nelumbo nucifera, with anti-oxidant and anti-inflammatory and anti-cancer activities. Isoliensinine induces apoptosis in triple-negative human breast cancer cells[1][2].

  • CAS Number: 6817-41-0
  • MF: C37H42N2O6
  • MW: 610.739
  • Catalog: Apoptosis
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 723.1±60.0 °C at 760 mmHg
  • Melting Point: 69-71℃
  • Flash Point: 391.1±32.9 °C

H-D-Arg-OH

D-arginine (H-D-Arg-OH) is the D-isomer of arginine. Arginine is an α-amino acid that is used in the biosynthesis of proteins. D-Arginine is an inactive form of L-arginine[1].

  • CAS Number: 157-06-2
  • MF: C6H14N4O2
  • MW: 174.201
  • Catalog: Others
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 367.6±52.0 °C at 760 mmHg
  • Melting Point: 221-224ºC
  • Flash Point: 176.1±30.7 °C

Cyclic Arg-Gly-Asp-D-Tyr-Lys

Cyclo(RGDyK) trifluoroacetate is a potent and selective αVβ3 integrin inhibitor with an IC50 of 20 nM.

  • CAS Number: 250612-42-1
  • MF: C31H43F6N9O12
  • MW: 847.72
  • Catalog: Integrin
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Elobixibat hydrate

Elobixibat hydrate is a potent ileal bile acid transporter (IBAT) inhibitor, with IC50 values of 0.53 ± 0.17 nM, 0.13 ± 0.03 nM, and 5.8 ± 1.6 nM for human IBAT, mouse IBAT, and canine IBAT. Elobixibat hydrate can be used for chronic idiopathic constipation (CIC) research[1].

  • CAS Number: 1633824-78-8
  • MF: C36H47N3O8S2
  • MW: 713.90
  • Catalog: Metabolic Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Fmoc-N-(allyl)-glycine

N-(((9H-Fluoren-9-yl)methoxy)carbonyl)-N-allylglycine is a Glycine (HY-Y0966) derivative[1].

  • CAS Number: 222725-35-1
  • MF: C20H19NO4
  • MW: 337.36900
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

25-O-acetyl-7,8-didehydro-cimigenol-3-O-b-Dxylopyaranoside

25-O-acetyl-7,8-didehydro-cimigenol-3-O-b-Dxylopyaranoside is a cycloartane triterpenoid. 25-O-acetyl-7,8-didehydro-cimigenol-3-O-b-Dxylopyaranoside can be isolated from Cimicifuga acerina[1].

  • CAS Number: 228251-30-7
  • MF: C37H56O10
  • MW: 660.83
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Desthiobiotin-peg4-alkyne

Desthiobiotin-PEG4-propargyl is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].

  • CAS Number: 1951424-89-7
  • MF: C21H37N3O6
  • MW: 427.54
  • Catalog: PROTAC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Acetyl coenzyme A trilithium

Acetyl-coenzyme A (Acetyl-CoA) trilithium is a membrane-impermeant central metabolic intermediate, participates in the TCA cycle and oxidative phosphorylation metabolism. Acetyl-coenzyme A trilithium regulates various cellular mechanisms by providing (sole donor) acetyl groups to target amino acid residues for post-translational acetylation reactions of proteins. Acetyl Coenzyme A trilithium is also a key precursor of lipid synthesis[1][2][3][4].

  • CAS Number: 75520-41-1
  • MF: C23H35Li3N7O17P3S
  • MW: 827.370
  • Catalog: Autophagy
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Simazine

Simazine is a triazine herbicide widely used in agriculture, pot-plant and tree production. Simazine is phytotoxicity and not highly toxic to soil microflora and algae[1].

  • CAS Number: 122-34-9
  • MF: C7H12ClN5
  • MW: 201.657
  • Catalog: Others
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 268.9±23.0 °C at 760 mmHg
  • Melting Point: 225°C
  • Flash Point: 116.4±22.6 °C

SKF-83566

SKF-83566 is a potent, blood-brain permeable and orally active D1-like dopamine receptor (D1DR) antagonist and a weaker competitive antagonist at the vascular 5-HT2 receptor (Ki=11 nM)[1][3]. SKF-83566 is a competitive DAT (dopamine transporter) inhibitor with an IC50 of 5.7 μM[2]. SKF-83566 also shows selective inhibition for adenylyl cyclase 2 (AC2) over AC1 and AC5 in the isolated rabbit thoracic aorta[4]. SKF-83566 can be used for research of parkinson’s disease and nicotine craving alleviation[5].

  • CAS Number: 99295-33-7
  • MF: C17H19BrClNO
  • MW: 368.69600
  • Catalog: 5-HT Receptor
  • Density: N/A
  • Boiling Point: 447.5ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 224.4ºC

CCK-B Receptor Antagonist 1

CCK-B Receptor Antagonist 1 is an antagonist of cholecystokinin B (CCK-B) receptor, and has the potential of reducing the secretion of gastric acid.

  • CAS Number: 168161-71-5
  • MF: C28H30N6O3
  • MW: 498.58
  • Catalog: Cholecystokinin Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

LP-471756

LP-471756 is a potent GPR139 antagonist with an IC50 value of 640 nM. LP-471756 inhibits LP-360924-stimulated cAMP production[1][2].

  • CAS Number: 413605-11-5
  • MF: C19H23NO2S
  • MW: 329.46
  • Catalog: GPR139
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A