bicalutamide

Ligand id: 2863

Name: bicalutamide

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Structure and Physico-chemical Properties

2D Structure
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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 2.53
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1995))
WHO Essential Medicine WHO Model List of Essential Medicines (21st List, 2019). Access PDF version.
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®
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.
Database Links
BindingDB Ligand 18525
CAS Registry No. 90357-06-5 (source: Scifinder)
ChEMBL Ligand CHEMBL409
DrugBank Ligand DB01128
GtoPdb PubChem SID 135649993
PubChem CID 2375
Search Google for chemical match using the InChIKey LKJPYSCBVHEWIU-UHFFFAOYSA-N
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Search UniChem for chemical match using the InChIKey LKJPYSCBVHEWIU-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone LKJPYSCBVHEWIU
Wikipedia Bicalutamide

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Tocris
Bicalutamide
Cat. No. 3389