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
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.
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