nilutamide   Click here for help

GtoPdb Ligand ID: 2864

Synonyms: Nilandron®
Approved drug
nilutamide is an approved drug (FDA (1996))
Compound class: Synthetic organic
Comment: Nilutamide is a synthetic, non-steroidal, pure antiandrogen.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 92.55
Molecular weight 317.06
XLogP 2.27
No. Lipinski's rules broken 0
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Canonical SMILES O=C1NC(C(=O)N1c1ccc(c(c1)C(F)(F)F)[N+](=O)[O-])(C)C
Isomeric SMILES O=C1NC(C(=O)N1c1ccc(c(c1)C(F)(F)F)[N+](=O)[O-])(C)C
InChI InChI=1S/C12H10F3N3O4/c1-11(2)9(19)17(10(20)16-11)6-3-4-8(18(21)22)7(5-6)12(13,14)15/h3-5H,1-2H3,(H,16,20)
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1996))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
5755 nilutamide
Synonyms Click here for help
Database Links Click here for help
BindingDB Ligand 50135912
CAS Registry No. 63612-50-0 (source: Scifinder)
ChEMBL Ligand CHEMBL1274
DrugBank Ligand DB00665
DrugCentral Ligand 1933
GtoPdb PubChem SID 135650719
PubChem CID 4493
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Wikipedia Nilutamide

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Cat. No. 1759