dasatinib

Ligand id: 5678

Name: dasatinib

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 134.75
Molecular weight 487.16
XLogP 2.22
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA & EMA (2006))
IUPAC Name
N-(2-chloro-6-methylphenyl)-2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-1,3-thiazole-5-carboxamide
International Nonproprietary Names
INN number INN
8712 dasatinib
Synonyms
BMS 345825 | BMS 354825 | BMS 35482513 | Sprycel®
Database Links
CAS Registry No. 302962-49-8
ChEMBL Ligand CHEMBL1421
DrugBank Ligand DB01254
GtoPdb PubChem SID 178102305
PubChem CID 3062316
RCSB PDB Ligand 1N1
Search Google for chemical match using the InChIKey ZBNZXTGUTAYRHI-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ZBNZXTGUTAYRHI
Search PubMed clinical trials dasatinib
Search PubMed titles dasatinib
Search PubMed titles/abstracts dasatinib
Search UniChem for chemical match using the InChIKey ZBNZXTGUTAYRHI-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ZBNZXTGUTAYRHI
SynPHARM 78746 (in complex with ABL proto-oncogene 1, non-receptor tyrosine kinase)
Wikipedia Dasatinib
Comments
Dasatinib is a Type-1 kinase inhibitor and was first approved by the FDA in 2006.