enzalutamide   Click here for help

GtoPdb Ligand ID: 6812

Synonyms: MDV-3100 | MDV3100 | Xtandi®
Approved drug
enzalutamide is an approved drug (FDA (2012), EMA (2013))
Compound class: Synthetic organic
Comment: Enzalutamide is an androgen receptor antagonist.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 108.53
Molecular weight 464.09
XLogP 4
No. Lipinski's rules broken 0
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Canonical SMILES CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C1(C)C)c1ccc(c(c1)C(F)(F)F)C#N
Isomeric SMILES CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C1(C)C)c1ccc(c(c1)C(F)(F)F)C#N
InChI InChI=1S/C21H16F4N4O2S/c1-20(2)18(31)28(12-5-4-11(10-26)15(8-12)21(23,24)25)19(32)29(20)13-6-7-14(16(22)9-13)17(30)27-3/h4-9H,1-3H3,(H,27,30)
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2012), EMA (2013))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
9621 enzalutamide
Synonyms Click here for help
MDV-3100 | MDV3100 | Xtandi®
Database Links Click here for help
CAS Registry No. 915087-33-1
ChEMBL Ligand CHEMBL1082407
DrugBank Ligand DB08899
DrugCentral Ligand 4628
GtoPdb PubChem SID 178103418
PubChem CID 15951529
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UniChem Compound Search for chemical match using the InChIKey WXCXUHSOUPDCQV-UHFFFAOYSA-N
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Wikipedia Enzalutamide