henatinib

Ligand id: 9930

Name: henatinib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 97.9
Molecular weight 468.22
XLogP 1.03
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-5-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-3-methyl-1,6,7,8-tetrahydropyrrolo[3,2-c]azepin-4-one
Synonyms
compound 25 [PMID: 21028894]
Comments
Henatinib is a kinase inhibitor with some selectivity for VEGFR2 (KDR). Discovery was reported by Cho et al. (2010), the same article that disclosed famitinib [1]. The name henatinib is linked to the structure of 'compound 25' in the article by Gu et al. (2010) that describes a method for detecting and quantifying henatinib maleate in rat plasma [2].
Henatinib is a 'pseudo' INN, that takes the form of an INN for a kinase inhibitor, but has not been submitted to the World Health Organisation for ratification.
Database Links
ChEMBL Ligand CHEMBL1277072
GtoPdb PubChem SID 363894224
PubChem CID 25116064
Search Google for chemical match using the InChIKey MCTXSDCWFQAGFS-UEXNTNOUSA-N
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Search UniChem for chemical match using the InChIKey MCTXSDCWFQAGFS-UEXNTNOUSA-N
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