Ligand Id: 2863
Ligand name bicalutamide

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 115.64
Molecular weight 430.06
XLogP 3.31
No. Lipinski's rules broken 0

Molecular properties generated using the CDK


Summary Biological activity Clinical data References Structure Suppliers
Classification
Compound class Synthetic organic
Approved drug? Yes (source: FDA (1995))
DrugBank groups approved
IUPAC Name
N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide
International Nonproprietary Names
INN number INN
7021 bicalutamide
Database Links
BindingDB Ligand 18525
CAS Registry No. 90357-06-5 (source: Scifinder)
ChEMBL Ligand CHEMBL409
DrugBank Ligand DB01128
PubChem CID 2375
Search Google for chemical match using the InChIKey LKJPYSCBVHEWIU-UHFFFAOYSA-N
Search Google for chemicals with the same backbone LKJPYSCBVHEWIU
Search PubMed clinical trials bicalutamide
Search PubMed titles bicalutamide
Search PubMed titles/abstracts bicalutamide
Wikipedia Bicalutamide
ZINC ZINC00538564, ZINC00897408
Comments
Bicalutamide is non-steroidal anti-androgen that binds to the andogen receptor. The INN record for this drug indicates that it is a mixture of stereo-isomers. We show the non-stereo molecule to represent this mixture. (R)-Bicalutamide has PubChem CID 56069.

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