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

Neuropeptide Y (13-36) (porcine) trifluoroacetate salt

Neuropeptide Y (13-36), porcine is a selective neuropeptide Y2 receptor agonist[1].

  • CAS Number: 113662-54-7
  • MF: C135H209N41O36
  • MW: 2982.36000
  • Catalog: Neuropeptide Y Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Doxycycline

Doxycycline, an antibiotic, is an orally active and broad-spectrum metalloproteinase (MMP) inhibitor[1].

  • CAS Number: 564-25-0
  • MF: C22H24N2O8
  • MW: 444.435
  • Catalog: MMP
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 685.2±55.0 °C at 760 mmHg
  • Melting Point: 206-209ºC
  • Flash Point: 368.2±31.5 °C

(Des-Gly2)-Exenatide trifluoroacetate salt

(Des-Gly2)-Exenatide is a potential impurity of Exenatide (HY-13443).

  • CAS Number: 1678416-78-8
  • MF: C182H279N49O59S
  • MW: 4129.52
  • Catalog: Metabolic Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

2,3',4,6-Tetrahydroxybenzophenone

2,3',4,6-Tetrahydroxybenzophenone, a kind of benzophenone, is the immediate precursor of xanthones in higher plants[1].

  • CAS Number: 26271-33-0
  • MF: C13H10O5
  • MW: 246.22
  • Catalog: Others
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 489.3±33.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 263.8±21.9 °C

Ipidacrine

2,3,5,6,7,8-Hexahydro-1H-cyclopenta[b]quinolin-9-amine is a pharmaceutically active compound which is a nootropic agent that acts as cholinesterase inhibitor and is used in treatment of Alzheimer disease[1].

  • CAS Number: 62732-44-9
  • MF: C12H16N2
  • MW: 188.26900
  • Catalog: AChE
  • Density: 1.17 g/cm3
  • Boiling Point: 367.969ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 203.991ºC

Valiolamine

Valiolamine, an aminocyclitol has been isolated from the fermentation broth of Streptomyces hygroscopicus subsp. Valiolamine has potent alpha-glucosidase inhibitory activity against porcine intestinal sucrase, maltase and isomaltase[1].

  • CAS Number: 83465-22-9
  • MF: C7H15NO5
  • MW: 118.177
  • Catalog: Others
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 249.1±25.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 104.4±23.2 °C

MCT1-IN-3

MCT1-IN-3 is a monocarboxylate transporter 1 (MCT1) inhibitor with an IC50 value of 81.0 nM. MCT1-IN-3 has also significant inhibitivity against the multidrug transporter ABCB1. MCT1-IN-3 can be used for the research of cancer[1].

  • CAS Number: 2878360-80-4
  • MF: C22H19N3O4
  • MW: 389.40
  • Catalog: Monocarboxylate Transporter
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Neuraminidase-IN-8

Neuraminidase-IN-8 (Compound 6d) is a potent neuraminidase inhibitor with an IC50 of 0.027 µM. Neuraminidase-IN-8 shows anti-influenza activities[1].

  • CAS Number: 2716197-09-8
  • MF: C18H16FN3O3S
  • MW: 373.40
  • Catalog: Influenza Virus
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

H-DL-Leu-DL-Phe-OH

DL-Leucyl-DL-phenylalanine is a dipeptide and can be used as a substrate to detecte two regions of dipeptidase staining on a gel in Drosophila simulans as well as in Drosophila melanogaster[1][2].

  • CAS Number: 56217-82-4
  • MF: C15H22N2O3
  • MW: 278.34700
  • Catalog: Others
  • Density: 1.144g/cm3
  • Boiling Point: 501.2ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 256.9ºC

MGAT2-IN-1

MGAT2-IN-1 is an orally active inhibitor of monoacylglycerol acyltransferase (MGAT2) with IC50 of 7.8 and 2.4 nM for human and mouse MGAT2, respectively.

  • CAS Number: 1800025-30-2
  • MF: C27H21ClF5N7O3S
  • MW: 654.01
  • Catalog: Acyltransferase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

HAEGT

HAEGT is the first N-terminal 1-5 residues of GLP-1 peptide.

  • CAS Number: 852155-81-8
  • MF: C20H31N7O9
  • MW: 513.5
  • Catalog: Peptides
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

AZ7550-d5

AZ7550-d5 is the deuterium labeled AZ7550 (HY-B0794). AZ7550, an active metabolite of AZD9291 (HY-15772), inhibits the activity of IGF1R with an IC50 of 1.6 μM[1][2].

  • CAS Number: 2719690-99-8
  • MF: C27H26D5N7O2
  • MW: 490.61
  • Catalog: EGFR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

5’-Deoxy-5’-(4-morpholinyl)thymidine

5’-Deoxy-5’-(4-morpholinyl)thymidine 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: 2305415-93-2
  • MF: C14H21N3O5
  • MW: 311.33
  • Catalog: Nucleoside Antimetabolite/Analog
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

ML344

ML344 is a CqsS/LuxQ agonist probe that acts as an inducer of light production without autoinducers.

  • CAS Number: 894856-92-9
  • MF: C13H19N5
  • MW: 245.32
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Rocaglamide

Rocaglamide is a potent NF-κB activation inhibitor.

  • CAS Number: 84573-16-0
  • MF: C29H31NO7
  • MW: 505.559
  • Catalog: NF-κB
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 667.3±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 357.4±31.5 °C

SARS-CoV-2-IN-68

SARS-CoV-2-IN-68 (compound 6C) is a covalent SARS-CoV-2 PLpro/Mpro inhibitor with potent antiviral activities. SARS-CoV-2-IN-68 binds to Zn-finger domain of PLpro[1].

  • CAS Number: 2682897-84-1
  • MF: C14H12N2OSe
  • MW: 303.22
  • Catalog: SARS-CoV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Brompheniramine Maleate

Brompheniramine maleate is a histamine H1 receptors antagonist.Target: Histamine H1 ReceptorBrompheniramine maleate, is an antihistamine drug of the propylamine (alkylamine) class. It is readily available over the counter and is indicated for the treatment of the symptoms of the common cold and allergic rhinitis. It is a first-generation antihistamine. Brompheniramine has antidepressant properties, inhibiting reuptake of the neurotransmitter serotonin. Based on this knowledge, Arvid Carlsson and his colleagues, working at the Swedish company Astra AB, were able to derive the first marketed selective serotonin reuptake inhibitor, zimelidine, from brompheniramine. Brompheniramine had a long half-life and large volume of distribution in normal adults. It also had a prolonged antihistaminic effect in the skin as evidenced by suppression of the wheal and flare response to histamine and by suppression of pruritus [1, 2].

  • CAS Number: 980-71-2
  • MF: C20H23BrN2O4
  • MW: 435.312
  • Catalog: Histamine Receptor
  • Density: N/A
  • Boiling Point: 403ºC at 760 mmHg
  • Melting Point: 134-135ºC
  • Flash Point: N/A

NPS-2143 hydrochloride

NPS-2143(SB 262470A ) is a selective potent calcium ion-sensing receptor antagonist with IC50 of 43 and 41 nM for cytoplasmic Ca2+ concentrations and parathyroid hormone secretion, respectively.IC50 value: 43 nM(for Ca2+ receptor) [1]Target: CaSRin vitro: NPS 2143, even when tested at much higher concentrations (3 microM), did not affect the activity of a number of other G protein-coupled receptors, including those most structurally homologous to the Ca2+ receptor. NPS 2143 stimulated parathyroid hormone (PTH) secretion from bovine parathyroid cells (EC50 of 41 nM) over a range of extracellular Ca2+ concentrations and reversed the effects of the calcimimetic compound NPS R-467 on [Ca2+]i and on secretion of PTH [1]. The first reported calcilytic compound was NPS 2143, an orally active molecule which elicits rapid, 3- to 4-fold increases in circulating levels of PTH [2].in vivo: When infused intravenously in normal rats, NPS 2143 caused a rapid and large increase in plasma levels of PTH. Ca2+ receptor antagonists are termed calcilytics and NPS 2143 is the first substance (either atomic or molecular) shown to possess such activity [1]. When administered together with an antiresorptive agent (estradiol), NPS 2143 causes an increase in trabecular bone volume and bone mineral density in osteopenic rats [2].

  • CAS Number: 324523-20-8
  • MF: C24H26Cl2N2O2
  • MW: 445.381
  • Catalog: CaSR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

AS-605240

AS-605240 is a specific and orally active inhibitor of the PI3Kγ, with an IC50 of 8 nM, and a Ki of 7.8 nM.

  • CAS Number: 648450-29-7
  • MF: C12H7N3O2S
  • MW: 257.268
  • Catalog: Autophagy
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Trombodipine

Trombodipine is an antithrombotic agent.

  • CAS Number: 113658-85-8
  • MF: C21H24N2O7S
  • MW: 448.48900
  • Catalog: Cardiovascular Disease
  • Density: 1.327g/cm3
  • Boiling Point: 623.2ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 330.7ºC

Vinconate

Vinconate is an indolonaphthyridine derivative and can stimulate the muscariic acetylcholine receptor.

  • CAS Number: 70704-03-9
  • MF: C18H20N2O2
  • MW: 296.36400
  • Catalog: mAChR
  • Density: 1.27g/cm3
  • Boiling Point: 363.6ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 173.7ºC

K-Ras-IN-1

K-Ras-IN-1 is a K-Ras inhibitor, by binding to K-Ras in a hydrophobic pocket that is occupied by Tyr-71 in the apo-Ras crystal structure.(the detailed information refer to the reference)

  • CAS Number: 84783-01-7
  • MF: C11H13NOS
  • MW: 207.292
  • Catalog: Ras
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 332.1±44.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 154.7±28.4 °C

Chetoseminudin B

Chetoseminudin B possesses mushroom tyrosinase inhibitory activity with IC50 of 31.7 μM[1].

  • CAS Number: 658711-87-6
  • MF: C17H21N3O3S2
  • MW: 379.50
  • Catalog: Tyrosinase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

VTP50469

VTP50469 is a potent, highly selective and orally active Menin-MLL interaction inhibitor with a Ki of 104 pM. VTP50469 has potently anti-leukemia activity[1][2].

  • CAS Number: 2169916-18-9
  • MF: C32H47FN6O4S
  • MW: 630.82
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

L-Isovaline

L-Isovaline is a valine derivative[1].

  • CAS Number: 595-40-4
  • MF: C5H11NO2
  • MW: 117.146
  • Catalog: Others
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 213.6±23.0 °C at 760 mmHg
  • Melting Point: 289.39°C (estimate)
  • Flash Point: 83.0±22.6 °C

Senecivernine

Senecivernine is a pyrrolizidine alkaloid isolated from Senecio species, exhibits a weakly mutagenic activity[1][2].

  • CAS Number: 72755-25-0
  • MF: C18H25NO5
  • MW: 335.39500
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

(S)-3-((TERT-BUTOXYCARBONYL)AMINO)-3-(3,4-DIMETHOXYPHENYL)PROPANOIC ACID

(S)-Boc-3,4-dimethoxy-β-Phe-OH is a phenylalanine derivative[1].

  • CAS Number: 499995-84-5
  • MF: C16H23NO6
  • MW: 325.357
  • Catalog: Others
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 483.9±45.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 246.4±28.7 °C

Ipecoside

Ipecoside is an alkaloid isolated from Psychotria[1].

  • CAS Number: 15401-60-2
  • MF: C27H35NO12
  • MW: 565.56600
  • Catalog: Others
  • Density: 1.5g/cm3
  • Boiling Point: 821.6ºC at 760 mmHg
  • Melting Point: 177-180 ºC
  • Flash Point: 450.7ºC

Gefapixant citrate

Gefapixant citrate is an orally active and potent purinergic P2X3 receptor (P2X3R) antagonist, with IC50 values of ~30 nM versus recombinant hP2X3 homotrimers and 100-250 nM at hP2X2/3 heterotrimeric receptors. Gefapixant citrate can be used for the research of chronic cough and knee osteoarthritis[1][2][3].

  • CAS Number: 2310299-91-1
  • MF: C20H27N5O11S
  • MW: 545.52
  • Catalog: P2X Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Zederone

Zederone, a germacrane-type sesquiterpene, has potently cytotoxic against human white blood cancer cells and human prostate cancer cells. Zederone significantly inhibits the proliferation and downregulates the protein expressions of mTOR, and phosphorylated p70 S6 kinase (p-p70s6K) in SKOV3 cells[1][2].

  • CAS Number: 7727-79-9
  • MF: C15H18O3
  • MW: 246.302
  • Catalog: mTOR
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 365.3±42.0 °C at 760 mmHg
  • Melting Point: 153.4-153.9℃ (acetone hexane )
  • Flash Point: 174.7±27.9 °C