eCF506

Ligand id: 9186

Name: eCF506

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 123.66
Molecular weight 510.31
XLogP 2.13
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
tert-butyl N-[4-(4-amino-1-{2-[4-(dimethylamino)piperidin-1-yl]ethyl}-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]carbamate
Synonyms
derivative 11a [PMID: 27115835]
Database Links
GtoPdb PubChem SID 315661265
PubChem CID 121231408
Search Google for chemical match using the InChIKey GMPQGWXPDRNCBL-UHFFFAOYSA-N
Search Google for chemicals with the same backbone GMPQGWXPDRNCBL
Search UniChem for chemical match using the InChIKey GMPQGWXPDRNCBL-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone GMPQGWXPDRNCBL
Comments
eCF506 is a potent and selective inhibitor of SRC family kinases, with activity against breast cancer cells in vitro and in vivo. Design and discovery of this compound is reported in [1].