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

N-Acetyldopamine dimer-3

N-Acetyldopamine dimer-3 (compound 11) is a natural product that can be found in Aspongopus chinensis[1].

  • CAS Number: 315188-81-9
  • MF: C20H22N2O6
  • MW: 386.40
  • Catalog: Metabolic Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

IU1-248

IU1-248, a derivative of IU1, is a potent and selective USP14 inhibitor with an IC50 of 0.83 μM.

  • CAS Number: 2307472-03-1
  • MF: C20H23N3O2
  • MW: 337.42
  • Catalog: Deubiquitinase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

(+)-Cloprostenol

(+)-Cloprostenol is a prostaglandin F2α (PGF2α) analogue, and shows selective agonistic activity at the prostaglandin receptor.

  • CAS Number: 54276-21-0
  • MF: C22H29ClO6
  • MW: 424.915
  • Catalog: Prostaglandin Receptor
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 628.0±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 333.6±31.5 °C

CCT007093

CCT 007093 is an effective PPM1D inhibitor that selectively reduces viability of human tumour cell lines.IC50 value: Target: PPM1DAs expected of a specific inhibitor, the toxicity of CCT007093 to PPM1D overexpressing cell lines after inhibitor treatment is P38 dependent [1]. Knockdown of WIP1 or treatment with the WIP1 inhibitor CCT007093 results in increased phosphorylation of known WIP1 targets, reduced HDM2 expression, and reduced growth specifically in WIP1 wild-type and high-expressing medulloblastoma cells [2]. CCT007093 treatment appeared to promote apoptosis in breast cancer cells and skin transformed keratinocytes that ectopically expressed Wip1, demonstrating that the effect of CCT007093 differs based on the level of Wip1 expression [3].

  • CAS Number: 176957-55-4
  • MF: C15H12OS2
  • MW: 272.385
  • Catalog: Cancer
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 484.7±45.0 °C at 760 mmHg
  • Melting Point: 222-223℃
  • Flash Point: 246.9±28.7 °C

GLP-1R agonist 4

GLP-1R agonist 4 is a potent agonist of GLP-1R. Glucagon-like peptide-1 (GLP-1) is an intestinal hypoglycemic hormone secreted by L-cells in the lower gastrointestinal tract. GLP-1R agonist 4 has the potential for the research of diabetes (extracted from patent WO2019239319A1, compound 96)[1].

  • CAS Number: 2401894-26-4
  • MF: C32H30ClF2N3O5
  • MW: 610.05
  • Catalog: Glucagon Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Tetrahydrobiopterin

Tetrahydrobiopterin is a cofactor of the aromatic amino acid hydroxylases enzymes and also acts as an essential cofactor for all nitric oxide synthase (NOS) isoforms.

  • CAS Number: 17528-72-2
  • MF: C9H15N5O3
  • MW: 241.25
  • Catalog: NO Synthase
  • Density: 1.89g/cm3
  • Boiling Point: 506.6ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 260.2ºC

Bcl-2-IN-4

Bcl-2-IN-4 is a potent, orally active and selective Bcl-2 inhibitor with an IC50 of 1.5 nM. Bcl-2-IN-4 displays >200-fold selectivity over Bcl-xL (IC50 of 411 nM). Bcl-2-IN-4 inhibits RS4; 11 cell proliferation with an IC50 of 2.7 nM (WO2021180040A1; compound 2)[1].

  • CAS Number: 2703134-40-9
  • MF: C46H50ClN9O7S
  • MW: 908.46
  • Catalog: Bcl-2 Family
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

HCV-IN-33

HCV-IN-33 (Compound (S)-3i) is an HCV entry inhibitor[1].

  • CAS Number: 2757963-83-8
  • MF: C31H36ClN5
  • MW: 514.10
  • Catalog: HCV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

metronidazole hydrochloride

Metronidazole hydrochloride (SC 326421) is an orally active nitroimidazole antibiotic, can be used to research anaerobic infections. Metronidazole hydrochloride can cross blood brain barrier and results inflammation and skeletal muscle contraction under long-term application[1][2][3][4].

  • CAS Number: 69198-10-3
  • MF: C6H10ClN3O3
  • MW: 207.61500
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: 405.4ºC at 760 mmHg
  • Melting Point: 158-160ºC
  • Flash Point: 199ºC

RH01386

RH01386 is a small molecule that protect pancreatic β cells against endoplasmic reticulum stress-induced cell death; increases the survival of human primary β cells and rodent β cell lines subjected to ER stressors including palmitate; also restores ER stress-impaired glucose-stimulated insulin secretion responses.

  • CAS Number: 301177-36-6
  • MF: C18H15F3N4O3S
  • MW: 424.398
  • Catalog: Metabolic Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

NSC 745887

NSC745887 (compound 25) is an anti-cancer agent. NSC745887 exhibits dose-dependent inhibition of proliferation in all 60 cancer cell lines[1].

  • CAS Number: 54490-26-5
  • MF: C16H8N2O2
  • MW: 260.25
  • Catalog: Cancer
  • Density: 1.448±0.06 g/cm3(Predicted)
  • Boiling Point: 491.6±40.0 °C(Predicted)
  • Melting Point: N/A
  • Flash Point: N/A

Triphala

Triphala, an Ayurvedic polyherbal formulation comprising of equiproportional fruit parts of Terminalia chebula, Terminalia bellerica, and Phyllanthus emblica[1]. Triphala inhibits NF-κB activation. Triphala exerts antifungal action[2]. Anti-adipogenic, anti-inflammatory, and anti-neoplastic activities.

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

Antitubercular agent-26

Antitubercular agent-26 (Compound 32) is an orally active anti-tubercular agent with an extracellular IC50 of 0.50 μM and an intracellular IC50 of 0.51 μM against M. tuberculosis H37Rv. Antitubercular agent-26 shows good metabolic stability, low risk of cardiotoxicity and no genotoxicity[1].

  • CAS Number: 1845720-46-8
  • MF: C22H23N5O3S2
  • MW: 469.58
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Invopressin

Invopressin (Compound 42) is a vasopressin V1A receptor partial agonist (EC50: 1.0 nM). Invopressin can be used for research of cirrhosis, including bacterial peritonitis, HRS2 and refractory ascites[1].

  • CAS Number: 1488411-60-4
  • MF: C110H161N31O27S2
  • MW: 2413.78
  • Catalog: Vasopressin Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Larixyl acetate

Larixyl acetate is a potent and selective TRPC6 inhibitor with IC50 values of 0.58 μM and 6.83 μM against hTRPC6-YFP and hTRPC3-YFP, respectively. Larixyl acetate prevents HPV and is effective in protecting against traumatic brain injury-induced systemic endothelial dysfunction[1][2].

  • CAS Number: 4608-49-5
  • MF: C22H36O3
  • MW: 348.51900
  • Catalog: TRP Channel
  • Density: 1.00±0.1 g/cm3 (20ºC 760 Torr)
  • Boiling Point: 419.3±28.0 °C
  • Melting Point: 82ºC
  • Flash Point: N/A

(+)-trans-Isolimonene

(+)-trans-Isolimonene is a natural monoterpene isolated from essential oil[1].

  • CAS Number: 5113-87-1
  • MF: C10H16
  • MW: 136.23400
  • Catalog: Others
  • Density: 0.824g/cm3
  • Boiling Point: 167.3ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 41.3ºC

BrBzGCp2

BrBzGCp2 is a Glyoxalase 1 (GLO1) inhibitor, with a GC50 of 4.23 μM in HL-60 cells. BrBzGCp2 possesses antitumor and neuroprotective activity[1][2].

  • CAS Number: 166038-00-2
  • MF: C32H46BrN6O12S2
  • MW: 850.77500
  • Catalog: Neurological Disease
  • Density: 1.38g/cm3
  • Boiling Point: 790.6ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 431.9ºC

SC-58125

SC-58125 is a potent and selective inhibitor of cyclooxygenase 2 (COX-2), with an IC50 of 0.04 μM. SC-58125 exhibits antitumor activity in vitro and in vivo, and it also can inhibit edema at the inflammatory site and is analgesic[1][2][3].

  • CAS Number: 162054-19-5
  • MF: C17H12F4N2O2S
  • MW: 384.348
  • Catalog: COX
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 512.6±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 263.8±30.1 °C

Akuammidine

Akuammidine, isolated from the seeds of Picralima nitida, shows a preference for μ-opioid binding sites with Ki values of 0.6, 2.4 and 8.6 μM at μ-, σ- and κ-opioid binding sites, respectively. Akuammidine possesses anti-inflammatory and anti-asthmatic properties[1][2].

  • CAS Number: 639-36-1
  • MF: C21H24N2O3
  • MW: 352.427
  • Catalog: Opioid Receptor
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 513.0±50.0 °C at 760 mmHg
  • Melting Point: 243-246℃
  • Flash Point: 264.0±30.1 °C

Ethyl 2-((tert-butoxycarbonyl)((1-(hydroxymethyl)cyclopropyl)methyl)amino)acetate

Ethyl 2-((tert-butoxycarbonyl)((1-(hydroxymethyl)cyclopropyl)methyl)amino)acetate is a Glycine (HY-Y0966) derivative[1].

  • CAS Number: 1998216-45-7
  • MF: C14H25NO5
  • MW: 287.352
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

N-(Amino-PEG1)-N-bis(PEG2-propargyl)

N-(Amino-PEG1)-N-bis(PEG2-propargyl) is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].

  • CAS Number: 2100306-47-4
  • MF: C18H32N2O5
  • MW: 356.457
  • Catalog: PROTAC Linker
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 443.9±40.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 222.2±27.3 °C

Cotoin

Cotoin is a natural product isolated from the stem bark of Garcinia virgate[1].

  • CAS Number: 479-21-0
  • MF: C14H12O4
  • MW: 244.243
  • Catalog: Others
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 402.2±45.0 °C at 760 mmHg
  • Melting Point: 131-132°
  • Flash Point: 153.3±22.2 °C

ITX 3

ITX3 is a specific and nontoxic inhibitor of the TrioN (N-terminal GEF domain of the multidomain Trio protein) with IC50 of 76 uM; inhibits TrioN-stimulated RhoG exchange in vitro.IC50 value: 76 uM [1]Target: TrioN inhibitorIn transfected mammalian cells, ITX3 blocked TrioN-mediated dorsal membrane ruffling and Rac1 activation while having no effect on GEF337-, Tiam1-, or Vav2-mediated RhoA or Rac1 activation. ITX3 specifically inhibited endogenous TrioN activity, as evidenced by its ability to inhibit neurite outgrowth in nerve growth factor (NGF)–stimulated PC12 cells or C2C12 differentiation into myotubes [1]. ITX3 repressed the Rac1 activity and dose dependently up-regulated the E-cadherin protein level in the Tara-KD cells [2].

  • CAS Number: 347323-96-0
  • MF: C22H17N3OS
  • MW: 371.45500
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Isoguvacine Hydrochloride

Isoguvacine hydrochloride is a GABA receptor agonist.

  • CAS Number: 68547-97-7
  • MF: C6H10ClNO2
  • MW: 163.60200
  • Catalog: GABA Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

DBCO-PEG9-DBCO

DBCO-PEG9-DBCO is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].

  • CAS Number: 2353409-50-2
  • MF: C58H70N4O13
  • MW: 1031.20
  • Catalog: PROTAC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

SM 16

SM 16 is a ALK5/ALK4 kinase inhibitor with Kis of 10 and 1.5 nM, respectively.

  • CAS Number: 614749-78-9
  • MF: C25H26N4O3
  • MW: 430.5
  • Catalog: ALK
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

PKI (5-24)

PKI(5-24) is a potent, competitive, and synthetic peptide inhibitor of PKA (cAMP-dependent protein kinase), with a Ki of 2.3 nM. PKI(5-24) corresponds to residues 5-24 in the naturally occurring heat-stable protein kinase inhibitor[1][2].

  • CAS Number: 99534-03-9
  • MF: C94H148N32O31
  • MW: 2222.38000
  • Catalog: PKA
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Apoptosis inducer 3

Apoptosis inducer 3 (Compound 3) is an apoptosis inducer that selectively triggers apoptosis and late-apoptosis. Apoptosis inducer 3 shows cytotoxicity against cancer cells[1].

  • CAS Number: 2420443-14-5
  • MF: C49H55ClN2O7
  • MW: 819.42
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Sulfaethoxypyridazine

Sulfaethoxypyridazine is a sulfonamide antibacterial agent. Sulfaethoxypyridazine is a sulfonamide that is used in veterinary medicine as feedstuffs[1].

  • CAS Number: 963-14-4
  • MF: C12H14N4O3S
  • MW: 294.33000
  • Catalog: Bacterial
  • Density: 1.416g/cm3
  • Boiling Point: 565.9ºC at 760mmHg
  • Melting Point: 182-184ºC
  • Flash Point: 296ºC

Sildenafil Mesylate

Sildenafil Mesylate is an orally active and selective phosphodiesterase type 5 (PDE5) inhibitor. Sildenafil Mesylate can be used in studies of erectile dysfunction and cancer[1].

  • CAS Number: 1308285-21-3
  • MF: C23H34N6O7S2
  • MW: 570.68
  • Catalog: Phosphodiesterase (PDE)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A