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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1908391
CHEMBL1908391
Compound Name MASITINIB
ChEMBL Synonyms Kinavet | AB-1010 | Masivet | Masitinib
Max Phase 3
Trade Names
Molecular Formula C28H30N6OS

Additional synonyms for CHEMBL1908391 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc3ccc(C)c(Nc4nc(cs4)c5cccnc5)c3)CC1
Standard InChI InChI=1S/C28H30N6OS/c1-20-5-10-24(16-25(20)31-28-32-26(19-36 ...
Download InChI
Standard InChI Key WJEOLQLKVOPQFV-UHFFFAOYSA-N

Sources

  • Clinical Candidates
  • Gene Expression Atlas Compounds
  • PubChem BioAssays
  • Scientific Literature
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1908391

Molecule Features

CHEMBL1908391 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Mechanism of Action

Mechanism of Action ChEMBL Target References
Fibroblast growth factor receptor 3 inhibitor Fibroblast growth factor receptor 3 Other PubMed PubMed
Platelet-derived growth factor receptor inhibitor Platelet-derived growth factor receptor Other PubMed PubMed
Stem cell growth factor receptor inhibitor Stem cell growth factor receptor Other PubMed PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
MelanomaD008545EFO:0002617metastatic melanoma3ClinicalTrials
Pancreatic NeoplasmsD010190EFO:0002618pancreatic carcinoma3ClinicalTrials
Ovarian NeoplasmsD010051EFO:0001075ovarian carcinoma2ClinicalTrials
Arthritis, RheumatoidD001172EFO:0000685rheumatoid arthritis2ClinicalTrials
AsthmaD001249EFO:0000270asthma3ClinicalTrials
Multiple MyelomaD009101EFO:0001378multiple myeloma3ClinicalTrials
NeoplasmsD009369EFO:0000616neoplasm3ATC
ClinicalTrials
Alzheimer DiseaseD000544EFO:0000249Alzheimers disease2ClinicalTrials
Hematologic DiseasesD006402HP:0001871abnormality of blood and blood-forming tissues2ClinicalTrials
Multiple Sclerosis, Chronic ProgressiveD020528EFO:0003840chronic progressive multiple sclerosis2ClinicalTrials
Multiple SclerosisD009103EFO:0003885multiple sclerosis2ClinicalTrials
PsoriasisD011565EFO:0000676psoriasis2ClinicalTrials
Amyotrophic Lateral SclerosisD000690EFO:0000253amyotrophic lateral sclerosis3ClinicalTrials
Gastrointestinal Stromal TumorsD046152Orphanet:44890Gastrointestinal stromal tumor3ClinicalTrials

Clinical Data

ClinicalTrials.gov MASITINIB
The Cochrane Collaboration MASITINIB

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL1908391. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL5122 Discoidin domain-containing receptor 2 Homo sapiens 1.000
CHEMBL5319 Epithelial discoidin domain-containing receptor 1 Homo sapiens 1.000
CHEMBL1862 Tyrosine-protein kinase ABL Homo sapiens 1.000
CHEMBL1936 Stem cell growth factor receptor Homo sapiens 0.999
CHEMBL3905 Tyrosine-protein kinase Lyn Homo sapiens 0.999
CHEMBL258 Tyrosine-protein kinase LCK Homo sapiens 0.972
CHEMBL260 MAP kinase p38 alpha Homo sapiens 0.968
CHEMBL279 Vascular endothelial growth factor receptor 2 Homo sapiens 0.884
CHEMBL4014 Tyrosine-protein kinase ABL2 Homo sapiens 0.830
CHEMBL5387 Sonic hedgehog protein Mus musculus 0.825
CHEMBL2973 Rho-associated protein kinase 2 Homo sapiens 0.758
CHEMBL5145 Serine/threonine-protein kinase B-raf Homo sapiens 0.560
CHEMBL4722 Serine/threonine-protein kinase Aurora-A Homo sapiens 0.552
CHEMBL2007 Platelet-derived growth factor receptor alpha Homo sapiens 0.510
CHEMBL325 Histone deacetylase 1 Homo sapiens 0.494
CHEMBL1293224 Microtubule-associated protein tau Homo sapiens 0.441
CHEMBL4527 TRAF2- and NCK-interacting kinase Homo sapiens 0.287
CHEMBL1293231 Nuclear receptor ROR-gamma Mus musculus 0.204



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL5122 Discoidin domain-containing receptor 2 Homo sapiens 1.000
CHEMBL5319 Epithelial discoidin domain-containing receptor 1 Homo sapiens 1.000
CHEMBL1862 Tyrosine-protein kinase ABL Homo sapiens 1.000
CHEMBL1936 Stem cell growth factor receptor Homo sapiens 0.999
CHEMBL3905 Tyrosine-protein kinase Lyn Homo sapiens 0.992
CHEMBL1293277 Niemann-Pick C1 protein Homo sapiens 0.989
CHEMBL258 Tyrosine-protein kinase LCK Homo sapiens 0.959
CHEMBL279 Vascular endothelial growth factor receptor 2 Homo sapiens 0.899
CHEMBL260 MAP kinase p38 alpha Homo sapiens 0.895
CHEMBL2973 Rho-associated protein kinase 2 Homo sapiens 0.849
CHEMBL2007 Platelet-derived growth factor receptor alpha Homo sapiens 0.794
CHEMBL5145 Serine/threonine-protein kinase B-raf Homo sapiens 0.722
CHEMBL4014 Tyrosine-protein kinase ABL2 Homo sapiens 0.621
CHEMBL4527 TRAF2- and NCK-interacting kinase Homo sapiens 0.572
CHEMBL1293224 Microtubule-associated protein tau Homo sapiens 0.492
CHEMBL4722 Serine/threonine-protein kinase Aurora-A Homo sapiens 0.255
CHEMBL1293231 Nuclear receptor ROR-gamma Mus musculus 0.239

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
498.7 498.2202 5.26 7 73.39 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 2 1 7 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.24 7.55 2.54 2.14 4 36 0.36

Structural Alerts

There are 1 structural alerts for CHEMBL1908391. To view alerts please click here.

Compound Cross References

ATC L - ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L01 - ANTINEOPLASTIC AGENTS
L01X - OTHER ANTINEOPLASTIC AGENTS
L01XE - Protein kinase inhibitors
L01XE22 - masitinib

ChemSpider ChemSpider:WJEOLQLKVOPQFV-UHFFFAOYSA-N
PubChem SID: 124950163 SID: 99460877

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1908391



ACToR 790299-79-5
BindingDB 50355495
ChEBI 63450
ChemicalBook CB41509122
DrugBank DB11526
eMolecules 27521649
FDA SRS M59NC4E26P
Guide to Pharmacology 5656
IBM Patent System 692D02BE04952FABFD4204FB3D73CB48
LINCS LSM-1130
MolPort MolPort-006-394-850
Nikkaji J2.920.360A
PDBe G65
PubChem 10074640
PubChem: Thomson Pharma 15060116
Selleck Masitinib-(AB1010)
SureChEMBL SCHEMBL717239
ZINC ZINC000034177219

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/WJEOLQLKVOPQFV-UHFFFAOYSA-N spacer
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