XL413

Ligand id: 8113

Name: XL413

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 1
Topological polar surface area 66.3
Molecular weight 290.07
XLogP 1.64
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
8-chloro-2-[(2S)-pyrrolidin-2-yl]-1H-[1]benzofuro[3,2-d]pyrimidin-4-one
Synonyms
BMS-863233 | BMS863233 | XL-413
Database Links
CAS Registry No. 1169558-38-6
ChEMBL Ligand CHEMBL2030402
PubChem CID 57899889
RCSB PDB Ligand 0SX
Search Google for chemical match using the InChIKey JJWLXRKVUJDJKG-VIFPVBQESA-N
Search Google for chemicals with the same backbone JJWLXRKVUJDJKG
Search UniChem for chemical match using the InChIKey JJWLXRKVUJDJKG-VIFPVBQESA-N
Search UniChem for chemicals with the same backbone JJWLXRKVUJDJKG
SynPHARM 81366 (in complex with cell division cycle 7)
Comments
XL413 was developed as a selective inhibitor of cell division cycle 7 (CDC7) [1] and was investigated for its antineoplastic effects.