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

MrgprX2 antagonist-3

MrgprX2 antagonist-3 is an MrgprX2 antagonist extracted from patent WO2021092240A1, example E117. MrgprX2 antagonist-3 can be used for the research of inflammatory disorders of the skin[1].

  • CAS Number: 2642174-19-2
  • MF: C16H20FN3O2S
  • MW: 337.41
  • Catalog: Inflammation/Immunology
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

3α-Hydroxy pravastatin sodium

3α-Hydroxy pravastatin sodium is the major metabolite of Pravastatin. Pravastatin is a competitive HMG-CoA reductase inhibitor[1][2].

  • CAS Number: 81093-43-8
  • MF: C23H35NaO7
  • MW: 446.51000
  • Catalog: HMG-CoA Reductase (HMGCR)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

m-PEG4-azide

m-PEG4-azide (13-Azido-2,5,8,11-tetraoxatridecane) is a PEG-based PROTAC linker can be used in the synthesis of PROTACs[1].

  • CAS Number: 606130-90-9
  • MF: C9H19N3O4
  • MW: 233.26500
  • Catalog: PROTAC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

4-Succinimidyl-oxycarbonyl-α-(2-pyridyldithio)toluene

4-Succinimidyl-oxycarbonyl-α-(2-pyridyldithio)toluene is a non-cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs)[1].

  • CAS Number: 160854-54-6
  • MF: C17H14N2O4S2
  • MW: 374.43
  • Catalog: ADC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

GANT58

GANT 58 is a potent Gli antagonist that inhibits GLI1-induced transcription with IC50 of 5 μM.

  • CAS Number: 64048-12-0
  • MF: C24H16N4S
  • MW: 392.476
  • Catalog: Gli
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 414.1±40.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 169.0±17.7 °C

Ketoconazole

Ketoconazole is an imidazole anti-fungal agent, a CYP3A4 and CYP24A1 inhibitor.Target: CYP3A4 CYP24A1Ketoconazole, an imidazole anti-fungal agent, has often produced features of androgen deficiency including decreased libido, gynecomastia, impotence, oligospermia, and decreased testosterone levels, in men being treated for chronic mycotic infections [1]. Ketoconazole also is a cytochrome P450 inhibitor [2].Ketoconazole (KTZ), on the antischistosomal potential of these quinolines against Schistosoma mansoni infection by evaluating parasitological, histopathological, and biochemical parameters. Mice were classified into 7 groups: uninfected untreated (I), infected untreated (II), infected treated orally with PZQ (1,000 mg/kg) (III), QN (400 mg/kg) (IV), KTZ (10 mg/kg)+QN as group IV (V), HF (400 mg/kg) (VI), and KTZ (as group V)+HF (as group VI) (VII). KTZ plus QN or HF produced more inhibition (P<0.05) in hepatic CYP450 (85.7% and 83.8%) and CYT b5 (75.5% and 73.5%) activities, respectively, than in groups treated with QN or HF alone. This was accompanied with more reduction in female (89.0% and 79.3%), total worms (81.4% and 70.3%), and eggs burden (hepatic; 83.8%, 66.0% and intestinal; 68%, 64.5%), respectively, and encountering the granulomatous reaction to parasite eggs trapped in the liver.[3] CYP24A1 inhibitor enhances antiproliferative effects, increases systemic calcitriol exposure, and promotes the activation of caspase-independent apoptosis pathway.[4]

  • CAS Number: 65277-42-1
  • MF: C26H28Cl2N4O4
  • MW: 531.431
  • Catalog: Fungal
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 753.4±60.0 °C at 760 mmHg
  • Melting Point: 146°C
  • Flash Point: 409.4±32.9 °C

Zegruvirimat

Zegruvirimat is an antiviral agent. Zegruvirimat has antiviral activity[1].

  • CAS Number: 2122781-86-4
  • MF: C49H70N4O5S
  • MW: 827.17
  • Catalog: Infection
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

PBI-51

PBI 51 is an (+)-abscisic acid (ABA) antagonist that blocks the induction of napin and oleosin gene expression by ABA. PBI 51 acts as a weak ABA agonist at high concentration[1].

  • CAS Number: 130694-74-5
  • MF: C15H22O3
  • MW: 250.33300
  • Catalog: Metabolic Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

h-3,5-dibromo-d-tyr-oh

3,5-Dibromo-D-tyrosine is a tyrosine derivative[1].

  • CAS Number: 50299-42-8
  • MF: C9H9Br2NO3
  • MW: 338.981
  • Catalog: Others
  • Density: 2.0±0.1 g/cm3
  • Boiling Point: 416.6±45.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 205.7±28.7 °C

GNE-6468

GNE-6468 is a potent and selective RORγ(RORc) agonists with an EC50 value of 13 nM for HEK-293 cell.

  • CAS Number: 1677668-27-7
  • MF: C23H16ClN3O4
  • MW: 433.84
  • Catalog: ROR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Fontolizumab

Fontolizumab (HuZAF) is a humanized monoclonal anti-IFN-gamma antibody. Fontolizumab is an immunosuppressive agent. Fontolizumab can be used in research of Crohn’s disease[1].

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

Motesanib

Motesanib is a potent ATP-competitive inhibitor of VEGFR1/2/3 with IC50s of 2 nM/3 nM/6 nM, respectively, and has similar activity against Kit, and is appr 10-fold more selective for VEGFR than PDGFR and Ret. 

  • CAS Number: 453562-69-1
  • MF: C22H23N5O
  • MW: 373.451
  • Catalog: c-Kit
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 517.3±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 266.6±30.1 °C

Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one,5,8,8a,9-tetrahydro-10-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-,(5R,5aR,8aR)-

α-Peltatin is an aryl lignan. α-Peltatin has anticancer and antifungal activity. α-Peltatin inhibits DNA topoisomerase and tubulin polymerization [1].

  • CAS Number: 568-53-6
  • MF: C21H20O8
  • MW: 400.38
  • Catalog: Others
  • Density: 1.336g/cm3
  • Boiling Point: 625.4ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 221.2ºC

Officinaruminane B

Officinaruminane B (compound 2), a diarylheptanoid, is a nature product that could be isolated from the rhizome of Alpinia officinarum[1].

  • CAS Number: 1246282-67-6
  • MF: C29H36O
  • MW: 400.595
  • Catalog: Others
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 523.1±49.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 221.5±24.8 °C

denileukin diftitox

Denileukin diftitox (DAB 389IL-2) is a diphtheria toxin (DT)-related interleukin 2 (IL-2) fusion protein toxin that depletes cells expressing the high-affinity form of the IL-2 receptor (IL-2R), CD25. Denileukin diftitox binds to cells expressing IL-2R and inhibits protein synthesis through internalization of the diphtheria toxin fragment[1][2][3].

  • CAS Number: 173146-27-5
  • MF:
  • MW:
  • Catalog: Interleukin Related
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

16,21-Epoxylanosta-7,24-diene-3,21-dione

Kulactone, a natural bioflavonoid and an inhibitor against jRdRp, possesses antifungal, antibacterial and antiplasmodial activities. Kulactone exhibit no crossing through Blood Brain Barrier (BBB)[1][2].

  • CAS Number: 22611-36-5
  • MF: C30H44O3
  • MW: 452.669
  • Catalog: Bacterial
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 562.4±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 236.9±30.2 °C

Dehydroacetic acid

Dehydroacetic acid is an organic compound, classified as a pyrone derivative and is used mostly as a fungicide and bactericide.

  • CAS Number: 520-45-6
  • MF: C8H8O4
  • MW: 168.147
  • Catalog: Bacterial
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 332.6±42.0 °C at 760 mmHg
  • Melting Point: 111-113 °C(lit.)
  • Flash Point: 150.5±27.9 °C

11-Deoxyalisol B

11-Deoxyalisol B, a triterpene, shows the potent inhibitory activity on Lipopolysaccharide (LPS)-induced nitric oxide (NO) production[1].

  • CAS Number: 155073-73-7
  • MF: C30H48O3
  • MW: 456.70
  • Catalog: Inflammation/Immunology
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 542.8±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 167.1±23.6 °C

JP1302 dihydrochloride

JP1302 dihydrochloride is a selective, high affinity antagonist of the alpha2C-adrenoceptor (α2C-adrenoceptor), with a Kb value (antagonist activity) of 16 nM and a Ki (binding affinity) value of 28 nM[1][2].

  • CAS Number: 1259314-65-2
  • MF: C24H26Cl2N4
  • MW: 441.40
  • Catalog: Adrenergic Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

FGFR-IN-4

FGFR-IN-4 is a potent inhibitor of FGFR. Fibroblast growth factor receptor (FGFR) is a tyrosine kinase receptor that binds to fibroblast growth factor ligands. FGFR-IN-4 has the potential for the research of cancer diseases (extracted from patent WO2022033532A1, compound 20)[1].

  • CAS Number: 2761211-49-6
  • MF: C24H21N7O2
  • MW: 439.47
  • Catalog: FGFR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Atorvastatin lactone

Atorvastatin lactone is a prodrug form of atorvastatin. Atorvastatin is an orally active 3-hydroxy-3-methylglutaryl coenzyme A (HMG-CoA) reductase inhibitor[1].

  • CAS Number: 125995-03-1
  • MF: C33H33FN2O4
  • MW: 540.625
  • Catalog: HMG-CoA Reductase (HMGCR)
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 674.8±55.0 °C at 760 mmHg
  • Melting Point: 103-106ºC
  • Flash Point: 361.9±31.5 °C

5-FAM-Amylin (human) trifluoroacetate salt

5-FAM-Amylin (human) is a biologically active peptide.

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

MK-0674

MK-0674 is a potent, orally bioavailable and selective cathepsin K inhibitor, with an IC50 of 0.4 nM, shows 1156, 1465, 11857 and 243 fold selectivity over Cat B, Cat F, Cat L and Cat S. MK-0674 exhibits long half-lives in rats, rabbits and rhesus monkeys[1].

  • CAS Number: 887781-62-6
  • MF: C26H27F6N3O2
  • MW: 527.50200
  • Catalog: Cathepsin
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Nampt activator-1

Nampt activator-1 (compound 1) is a potent Nicotinamide phosphoribosyltransferase (NAMPT) activator, with EC50 of 3.3-3.7 μM[1].

  • CAS Number: 701929-65-9
  • MF: C16H17N3O3
  • MW: 299.32
  • Catalog: Nampt
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

alexidine

Alexidine, a bis-biguanide, exhibits antifungal and antibiofilm activity against a diverse range of fungal pathogens. Alexidine is an anticancer agent that targets a mitochondrial tyrosine phosphatase, PTPMT1, in mammalian cells and causes mitochondrial apoptosis[1].

  • CAS Number: 22573-93-9
  • MF: C26H58Cl2N10
  • MW: 581.712
  • Catalog: Fungal
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 574.5±60.0 °C at 760 mmHg
  • Melting Point: 220-224ºC
  • Flash Point: 301.3±32.9 °C

Dihydroisopimaric acid

Dihydroisopimaric acid activates large conductance Ca2+ activated K+ (BK) channels alphabeta1 in the direct measurement of BKalphabeta1 opening under whole-cell voltage clamp[1].

  • CAS Number: 5673-36-9
  • MF: C20H32O2
  • MW: 304.467
  • Catalog: Potassium Channel
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 416.8±34.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 200.5±20.3 °C

Dihydrojasmonic acid

Dihydrojasmonic acid is a plant growth regulator[1].

  • CAS Number: 3572-64-3
  • MF: C12H20O3
  • MW: 212.28500
  • Catalog: Others
  • Density: 1.038g/cm3
  • Boiling Point: 361.9ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 186.8ºC

Calcium oxytetracycline

Oxytetracycline calcium is an antibiotic belonging to the tetracycline class. Oxytetracycline calcium potently inhibits Gram-negative and Gram-positive bacteria. Oxytetracycline calcium is a protein synthesis inhibitor and prevents the binding from aminoacil-tRNA to the complex m-ribosomal RNA. Oxytetracycline calcium also possesses anti-HSV-1 activity[1][2][3].

  • CAS Number: 7179-50-2
  • MF: C22H22CaN2O9
  • MW: 498.49600
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

MC-Val-Cit-PAB-vinblastine

MC-Val-Cit-PAB-vinblastine has a bioreversible linkage based on a quaternary ammonium for targeted delivery and it can improve pharmacokinetics and the therapeutic index. MC-Val-Cit-PAB-vinblastine is used for the antibody-drug conjugates (ADC) that are effective and stable in vitro and in vivo to treat various diseases or disorders[1].

  • CAS Number: 2055896-92-7
  • MF: C74H97N10O15
  • MW: 1366.62
  • Catalog: Drug-Linker Conjugates for ADC
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

PqsR/LasR-IN-1

PqsR/LasR-IN-1 (Compound 2a) is a potent inhibitor of PqsR and LasR systems in P. aeruginosa. PqsR/LasR-IN-1 also inhibits hERG with the IC50 of 6.77 µM[1].

  • CAS Number: 924818-33-7
  • MF: C24H20ClNO3
  • MW: 405.87
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A