BGJ-398

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Ligands
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

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

Synonyms

BGJ 398 | BGJ398 | NVP-BGJ398

Database Links
CAS Registry No.	872511-34-7
ChEMBL Ligand	CHEMBL1852688
GtoPdb PubChem SID	223366206
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].

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].