Chemical Component Summary

NameR-BICALUTAMIDE
Synonyms(2R)-N-[4-CYANO-3-(TRIFLUOROMETHYL)PHENYL]-3-[(4-FLUOROPHENYL)SULFONYL]-2-HYDROXY-2-METHYLPROPANAMIDE
Identifiers(2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methyl-propanamide
FormulaC18 H14 F4 N2 O4 S
Molecular Weight430.373
TypeNON-POLYMER
Isomeric SMILESC[C@](CS(=O)(=O)c1ccc(cc1)F)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O
InChIInChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)/t17-/m0/s1
InChIKeyLKJPYSCBVHEWIU-KRWDZBQOSA-N

Chemical Details

Formal Charge0
Atom Count43
Chiral Atom Count1
Bond Count44
Aromatic Bond Count12

Drug Info: DrugBank

DrugBank IDDB02932 
Name(R)-Bicalutamide
Groups experimental
Synonyms
  • (R)-Bicalutamide
  • (-)-Bicalutamide
CAS number113299-40-4

Drug Targets

NameTarget SequencePharmacological ActionActions
Androgen receptorMEVQLGLGRVYPRPPSKTYRGAFQNLFQSVREVIQNPGPRHPEAASAAPP...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
Pharos CHEMBL63560
PubChem 56069
ChEMBL CHEMBL63560
ChEBI CHEBI:39589
CCDC/CSD JAYCES, JAYCES03, JAYCES02, JAYCES01