Dasatinib

Basic Information

CAS ID: 302962-49-8
Molecular Formula: C22H26ClN7O2S
Molecular Weight: 488 g/mol
Monoisotopic Mass: 487.1557 g/mol
Class: Small Molecule
Natural Product: No
Other Names: SPRYCEL | BMS-354825-03 | DASATINIB | BMS-354825
Analysis: Drug repositioning mechanism analysis

N NH N S O NH Cl N N N OH

Compound Structure and Identifier

InChI: InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27) See All
InChI Key: ZBNZXTGUTAYRHI-UHFFFAOYSA-N
Smiles: Cc1nc(Nc2ncc(s2)C(=O)Nc3c(C)cccc3Cl)cc(n1)N4CCN(CCO)CC4 See All
Molfile: Download

Related Target

Target ID Name Interaction
T0359 Proto-oncogene tyrosine-protein kinase Src inhibitor
T0986 Protein tyrosine kinase inhibitor

Related Fibrosis Property

Reference Record 1

PubMed ID 28775044 Target ID T0359
Uniprot ID Proto-oncogene tyrosine-protein kinase Src Name Proto-oncogene tyrosine-protein kinase Src
Model vitro Fibrosis Disease Idiopathic pulmonary fibrosis
Process I
Process II cells apoptosis
Process III prevenet collagen deposition
Mechanism

Reference Record 2

PubMed ID 27942593 Target ID
Uniprot ID Name
Model vitro,mice Fibrosis Disease Cardiac fibrosis
Process I
Process II
Process III prevenet collagen deposition
Mechanism

Reference Record 3

PubMed ID 26458186 Target ID
Uniprot ID Name
Model vitro,mice Fibrosis Disease Cardiac fibrosis
Process I
Process II fibroblasts proliferation,fibroblast migration
Process III prevenet collagen deposition
Mechanism

Reference Record 4

PubMed ID 29121645 Target ID T0986
Uniprot ID Protein tyrosine kinase Name Protein tyrosine kinase
Model human Fibrosis Disease Pulmonary fibrosis
Process I
Process II
Process III
Mechanism

Reference Record 5

PubMed ID 29121645 Target ID T0986
Uniprot ID Protein tyrosine kinase Name Protein tyrosine kinase
Model human Fibrosis Disease Systemic sclerosis
Process I
Process II
Process III
Mechanism

Trial Record 1

ClinicalTrial ID NCT02874989 Disease Idiopathic pulmonary fibrosis
Phase Phase 1 Status Recruiting
First Received August 22, 2016 Last Verified December 13, 2018
Sponsor Wake Forest University Health Sciences

Trial Record 2

ClinicalTrial ID NCT03142165 Disease Fibrosis
Phase Phase 1 Status Completed
First Received May 5, 2017 Last Verified January 12, 2018
Sponsor Bristol-Myers Squibb

Trial Record 3

ClinicalTrial ID NCT00764309 Disease Scleroderma
Phase Phase 1,Phase 2 Status Completed
First Received October 2, 2008 Last Verified February 29, 2012
Sponsor Bristol-Myers Squibb

Related Link

PubChem: 3062316
ChEMBL: CHEMBL1421