compound 5e [PMID: 28580438]

Ligand id: 9712

Name: compound 5e [PMID: 28580438]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 62.73
Molecular weight 305.16
XLogP 4.18
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N4-(propan-2-yl)-N2-[3-(pyridin-3-yl)phenyl]pyrimidine-2,4-diamine
Comments
Compound 5e is a potent FMS-like tyrosine kinase 3 (FLT3, a type III receptor tyrosine kinase) inhibitor that is in preclinical evaluation for the treatment of acute myelogenous leukemia (AML) [3].
Database Links
GtoPdb PubChem SID 348353671
PubChem CID 131801163
Search Google for chemical match using the InChIKey JTFUPGNZUPRHCZ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone JTFUPGNZUPRHCZ
Search UniChem for chemical match using the InChIKey JTFUPGNZUPRHCZ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone JTFUPGNZUPRHCZ