compound 21 [PMID: 23312943]

Ligand id: 8135

Name: compound 21 [PMID: 23312943]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 79.11
Molecular weight 460.15
XLogP 4.48
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-N-(3,5-dichlorophenyl)-4-N-[4-(dimethylamino)cyclohexyl]-5-(3-methyl-1,2-oxazol-5-yl)pyrimidine-2,4-diamine
Database Links
ChEMBL Ligand CHEMBL2312654
GtoPdb PubChem SID 249565815
PubChem CID 71553154
Search Google for chemical match using the InChIKey ZTSOUDMNSOYCTG-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ZTSOUDMNSOYCTG
Search UniChem for chemical match using the InChIKey ZTSOUDMNSOYCTG-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ZTSOUDMNSOYCTG
Comments
Compound 21 is a potent inhibitor of TYRO3 protein tyrosine kinase (Sky kinase) [1]. It is suitable as an in vitro and in vivo tool to probe the effects of Sky inhibition.