BGJ-398

Ligand id: 7877

Name: BGJ-398

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 95.09
Molecular weight 559.19
XLogP 3.49
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-[6-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]-1-methylurea
Synonyms
BGJ 398 | BGJ398 | NVP-BGJ398
Database Links
CAS Registry No. 872511-34-7
ChEMBL Ligand CHEMBL1852688
PubChem CID 53235510
RCSB PDB Ligand 07J
Search Google for chemical match using the InChIKey QADPYRIHXKWUSV-UHFFFAOYSA-N
Search Google for chemicals with the same backbone QADPYRIHXKWUSV
Search UniChem for chemical match using the InChIKey QADPYRIHXKWUSV-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone QADPYRIHXKWUSV
SynPHARM 80719 (in complex with fibroblast growth factor receptor 1)
Comments
The discovery and synthesis of BGJ-398 is described in [1], where it is compound 1h. It is an orally bioavailable pan inhibitor of human fibroblast growth factor receptors (FGFRs) with potential antiangiogenic and antineoplastic activities [1].