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

Utreloxastat

Utreloxastat is a compound used for the research of the disorders including α-synucleinopathies, tauopathies, Amyotrophic lateral sclerosis (ALS), traumatic brain injury, and ischemic-reperfusion related injuries (patent WO2020081879A2, example A1)[1].

  • CAS Number: 1213269-96-5
  • MF: C18H28O2
  • MW: 276.41
  • Catalog: Neurological Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

β-Lactamase-IN-6

β-Lactamase-IN-6 is a β-Lactamase inhibitor that shows high antibacetrial activity.

  • CAS Number: 2326468-84-0
  • MF: C15H23FN2O5S
  • MW: 362.42
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Okanin

Okanin, effective constituent of the flower tea Coreopsis tinctoria, attenuates LPS-induced microglial activation through inhibition of the TLR4/NF-κB signaling pathways[1].

  • CAS Number: 484-76-4
  • MF: C15H12O6
  • MW: 288.25
  • Catalog: Toll-like Receptor (TLR)
  • Density: 1.584g/cm3
  • Boiling Point: 638ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 353.7ºC

RUVBL1/2 ATPase-IN-1

RUVBL1/2 ATPase-IN-1 (compound 18) is a potent and selective inhibitor of RUVBL1/2 ATPase with IC50 values of 6.0 and 7.7 μM, respectively. RUVBL1 and RUVBL2 are highly conserved AAA ATPases (ATPases Associated with various cellular Activities) and highly relevant to the progression of cancer. RUVBL1/2 ATPase-IN-1 has the potential for the research of cancer diseases[1].

  • CAS Number: 423128-55-6
  • MF: C28H28F3N5O
  • MW: 507.55
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Dorzagliatin

Dorzagliatin (HMS5552), a dual-acting glucokinase (GK) activator, improves glycaemic control and pancreatic β-cell function in type 2 diabetes[1].

  • CAS Number: 1191995-00-2
  • MF: C22H27ClN4O5
  • MW: 462.927
  • Catalog: Glucokinase
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 761.7±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 414.5±32.9 °C

GSK345931A

GSK345931A is an EP1 receptor antagonist. GSK345931A shows measurable CNS penetration in the mouse and rat and potent analgesic efficacy in acute and sub-chronic models of inflammatory pain[1].

  • CAS Number: 869499-38-7
  • MF: C22H19ClNNaO3
  • MW: 403.83
  • Catalog: Prostaglandin Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

BB-Cl-Amidine

BB-Cl-Amidine is a peptidylarginine deminase (PAD) inhibitor.

  • CAS Number: 1802637-39-3
  • MF: C26H26ClN5O
  • MW: 459.970
  • Catalog: Inflammation/Immunology
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Kuwanon G

Kuwanon G is a flavonoid isolated from Morus alba, acts as a bombesin receptor antagonist, with potential antimicrobial activity[1][2].

  • CAS Number: 75629-19-5
  • MF: C40H36O11
  • MW: 692.707
  • Catalog: Bacterial
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 942.4±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 293.9±27.8 °C

Bulleyaconitine A

Bulleyaconitine A is an analgesic and antiinflammatory drug isolated from Aconitum plants; has several potential targets, including voltage-gated Na+ channels.

  • CAS Number: 107668-79-1
  • MF: C35H49NO9
  • MW: 627.765
  • Catalog: Sodium Channel
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 690.9±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 371.7±31.5 °C

H-Glu(Met-OH)-OH

H-Glu(Met-OH)-OH could induce oxidation of hydroxyl radical[1].

  • CAS Number: 17663-87-5
  • MF: C10H18N2O5S
  • MW: 278.32500
  • Catalog: Metabolic Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Thalidomide-benzo

Thalidomide-benzo hydrochloride is the Thalidomide-based cereblon ligand used in the recruitment of CRBN protein. Thalidomide-benzo can be connected to the ligand for protein by a linker to form PROTACs[1].

  • CAS Number: 458151-34-3
  • MF: C17H12N2O4
  • MW: 308.29
  • Catalog: Ligand for E3 Ligase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Monohydroxy Netupitant

Monohydroxy Netupitant is the metabolite of Netupitant, which is a highly selective NK1 receptor antagonist.

  • CAS Number: 910808-12-7
  • MF: C30H32F6N4O2
  • MW: 594.59100
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

2-Ketoglutaric acid-d6

2-Ketoglutaric acid-d6 is the deuterium labeled 2-Ketoglutaric acid[1]. 2-Ketoglutaric acid (Alpha-Ketoglutaric acid) is an intermediate in the production of ATP or GTP in the Krebs cycle. 2-Ketoglutaric acid also acts as the major carbon skeleton for nitrogen-assimilatory reactions. 2-Ketoglutaric acid is a reversible inhibitor of tyrosinase (IC50=15 mM)[2].

  • CAS Number: 1173021-86-7
  • MF: C5D6O5
  • MW: 152.13500
  • Catalog: Tyrosinase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

4-Methoxycinnamaldehyde

4-Methoxycinnamaldehyde (p-Methoxycinnamaldehyde), an active constituent of Agastache rugosa, exhibits cytoprotective activity against respiratory syncytial virus (RSV) in human larynx carcinoma cell line. 4-Methoxycinnamaldehyde effectively inhibits cytopathic effect of RSV with an estimated IC50 of 0.055 μg/mL[1].

  • CAS Number: 1963-36-6
  • MF: C10H10O2
  • MW: 162.185
  • Catalog: RSV
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 308.7±17.0 °C at 760 mmHg
  • Melting Point: 55-60ºC(lit.)
  • Flash Point: 146.5±14.5 °C

5,6-Epoxyergosterol

5,6-Epoxyergosterol is a natural product that can be isolated from endophytic fungus Phyllosticta capitalensis[1].

  • CAS Number: 23637-31-2
  • MF: C28H44O2
  • MW: 412.648
  • Catalog: Others
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 513.6±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 210.6±24.4 °C

Hemicholinium 3

Hemicholinium 3 is a competitive inhibitor of the high affinity choline transporter (HACU) with a Ki value of 25 nM. Hemicholinium 3, a neuromuscular blocking agent which inhibits the synthesis and the release of acetylcholine (ACh)[1]. Hemicholinium 3 inhibits the Epibatidine-evoked contraction and [3H]acetylcholine release with IC50s of 897 nM and 693 nM, respectively[2].

  • CAS Number: 312-45-8
  • MF: C24H34Br2N2O4
  • MW: 574.35
  • Catalog: AChE
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: 180 °C
  • Flash Point: N/A

A727500

Apomorphine is an orally active agonist of Dopamine receptor. Apomorphine can be used in study Parkinson, biphasic dyskinesias, urinary dysfunction,,dystonia, dyspnoea, anismus and belching[1].

  • CAS Number: 58-00-4
  • MF: C17H17NO2
  • MW: 267.32
  • Catalog: 5-HT Receptor
  • Density: 1.299 g/cm3
  • Boiling Point: 473.4ºC at 760 mmHg
  • Melting Point: 195ºC (decomposes)
  • Flash Point: 268.8ºC

SGLT1/2-IN-1

SGLT1/2-IN-1 is a dual SGLT1/SGLT2 inhibitor extract from WO2015032272A1, compound 2 [1].

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

6-Benzylaminopurine-d5

6-Benzylaminopurine-d5 (Benzyladenine-d5) is the deuterium labeled 6-Benzylaminopurine. 6-Benzylaminopurine is a cytokinin[1].

  • CAS Number: 2322358-20-1
  • MF: C12H6D5N5
  • MW: 230.28
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Esmolol-d7 (hydrochloride)

Esmolol-d7 hydrochloride is the deuterium labeled Esmolol hydrochloride. Esmolol hydrochloride is a beta adrenergic receptor blocker[1][2].

  • CAS Number: 1346598-13-7
  • MF: C16H19D7ClNO4
  • MW: 338.878
  • Catalog: Autophagy
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

FASN-IN-2

FASN-IN-2 is a Fatty Acid Synthase (FASN) inhibitor extracted from patent WO2012122391A1, compound 152, has an IC50 of 0.052 μM and an EC50 of 0.072 μM[1].

  • CAS Number: 1399177-37-7
  • MF: C27H29N5O
  • MW: 439.55
  • Catalog: Fatty Acid Synthase (FAS)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

3M-011

A potent TLR7/8 agonist and cytokine inducer; stimulates type I interferon (IFN) and other cytokines such as TNF-alpha, IL-12, and IFN-gamma from rat peripheral blood mononuclear cells; induces IL-12 and COX-2 expression in mDC from HIV+ and HIV- individuals, and inhibits H3N2 influenza viral replication in the nasal cavity; potentiates NK cytotoxicity, and shows antitumor effects in scid/B6 mice and scid/NOD mice.

  • CAS Number: 642473-62-9
  • MF: C18H25N5O3S
  • MW: 391.488
  • Catalog: Influenza Virus
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 624.7±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 331.6±34.3 °C

VU0652835

VU0652835 is a metabotropic glutamate receptor subtype 5 (mGlu5) negative allosteric modulator with an IC50 of 81 nM[1].

  • CAS Number: 1848252-81-2
  • MF: C16H19N3O3S
  • MW: 333.41
  • Catalog: mGluR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

L-Tyrosine β-naphthylamide

L-Tyrosine β-naphthylamide is a tyrosine derivative[1].

  • CAS Number: 4357-95-3
  • MF: C19H18N2O2
  • MW: 306.35800
  • Catalog: Others
  • Density: 1.296g/cm3
  • Boiling Point: 610.3ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 322.9ºC

N3-Gly-Gly-OH

N3-Gly-Gly-OH is a click chemistry reagent. Click chemistry has great potential for use in binding between nucleic acids, lipids, proteins, and other molecules, and has been used in many research fields because of its beneficial characteristics, including high yield, high specificity, and simplicity[1].

  • CAS Number: 855750-87-7
  • MF: C4H6N4O3
  • MW: 158.11500
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Pachysamine M

Pachysamine M (Compound 5) is a pregnane alkaloid.Pachysamine M is isolated from naturalPachysandra terminalisSieb. et Zucc[1].

  • CAS Number: 1253202-75-3
  • MF: C28H44N2O2
  • MW: 440.66
  • Catalog: Others
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 582.5±42.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 306.1±27.9 °C

RO 08-2750

Ro 08-2750 is a non-peptide and reversible nerve growth factor (NGF) inhibitor which binds to NGF, and with an IC50 of ~ 1 µM. Ro 08-2750 inhibits NGF binding to p75NTR selectively over TRKA[1].

  • CAS Number: 37854-59-4
  • MF: C13H10N4O3
  • MW: 270.243
  • Catalog: Neurological Disease
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

7-Chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Fluoroquinolonic acid is a bacteriostatic antibiotic. Fluoroquinolonic acid has broad-spectrum activity against Gram-positive and Gram-negative bacteria[1].

  • CAS Number: 86393-33-1
  • MF: C13H9ClFNO3
  • MW: 281.667
  • Catalog: Bacterial
  • Density: 1.7±0.1 g/cm3
  • Boiling Point: 467.3±45.0 °C at 760 mmHg
  • Melting Point: 242-245 °C(lit.)
  • Flash Point: 236.4±28.7 °C

MSDC-0602K

MSDC-0602K (Azemiglitazone potassium), a PPARγ-sparing thiazolidinedione (Ps-TZD), binds to PPARγ with the IC50 of 18.25 μM[1]. MSDC-0602K modulates the mitochondrial pyruvate carrier (MPC). MSDC-0602K can be used for the research of fatty liver including dysfunctional lipid metabolism, inflammation, and insulin resistance[2]. MSDC-0602K, an insulin sensitizer, improves insulinemia and fatty liver disease in mice, alone and in combination with Liraglutide[3].

  • CAS Number: 1314533-27-1
  • MF: C19H16KNO5S
  • MW: 409.50
  • Catalog: PPAR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Voclosporin-d4

Voclosporin is a calcineurin (CN) inhibitor.

  • CAS Number: 515814-01-4
  • MF: C63H111N11O12
  • MW: 1214.62000
  • Catalog: Inflammation/Immunology
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A