bicalutamide

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Ligands
bicalutamide

Ligand id: 2863

Name: bicalutamide

Structure and Physico-chemical Properties

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

Classification
Compound class	Synthetic organic
Approved drug?	Yes (source: FDA (1995))

IUPAC Name
N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide

IUPAC Name

N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide

International Nonproprietary Names
INN number	INN
7021	bicalutamide

Synonyms
Calutide®
Casodex®

Synonyms

Calutide®

Casodex®

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

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.

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.