ENZALUTAMIDE

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC L02BB04
UNII 93T0T9GKNU

Structure

InChI Key WXCXUHSOUPDCQV-UHFFFAOYSA-N
Smiles CNC(=O)c1ccc(N2C(=S)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)C2(C)C)cc1F
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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H16F4N4O2S
Molecular Weight 464.44
AlogP 3.99
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 76.44
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 32.0

Pharmacology

Mechanism of Action Action Reference
Androgen Receptor antagonist ANTAGONIST Expert
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Serine protease Serine protease PA clan Serine protease S1A subfamily
- 130 - - -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group C Nuclear hormone receptor subfamily 3 group C member 4
49-915 14-646.9 - 17-86 20-95
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
49-915 14-730 - 17-86 20-95
Rattus norvegicus
- 294-361 - - 95

Target Conservation

Protein: Androgen Receptor
Description: Androgen receptor
Organism : Homo sapiens
P10275 ENSG00000169083

Related Entries

Cross References

Resources Reference
ChEBI 68534
ChEMBL CHEMBL1082407
DrugBank DB08899
DrugCentral 4628
FDA SRS 93T0T9GKNU
Guide to Pharmacology 6812
KEGG D10218
PubChem 15951529
SureChEMBL SCHEMBL189749
ZINC ZINC000034806477
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