compound 7d [PMID: 29672049]

Ligand id: 9937

Name: compound 7d [PMID: 29672049]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 106.15
Molecular weight 490.32
XLogP 3.07
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
9-cyclopentyl-N6-[4-(morpholin-4-ylmethyl)phenyl]-N2-[(1r,4r)-4-aminocyclohexyl]-9H-purine-2,6-diamine
Comments
Compound 7d is a FLT3 inhibitor [1]. It was identified as a lead compound in a medicinal chemistry study to find novel chemical scaffolds that offer improved FLT3 inhibition, and that provide compounds with potential clinical oncology therapeutic value for FLT3-driven cancers. Similar levels of inhibition of wild type and D835Y-mutated FLT3 enzymes suggests that compound 7d is a Type I (ATP binding site) kinase inhibitor. In comparison to quizartinib, a single dose of compound 7d produces a longer-lived inhibition of FLT3 and STAT5 phosphorylation in xenograft mice.
Database Links
GtoPdb PubChem SID 363894231
Search Google for chemical match using the InChIKey SAEGVASGMTZGFI-AQYVVDRMSA-N
Search Google for chemicals with the same backbone SAEGVASGMTZGFI
Search UniChem for chemical match using the InChIKey SAEGVASGMTZGFI-AQYVVDRMSA-N
Search UniChem for chemicals with the same backbone SAEGVASGMTZGFI