NILUTAMIDE

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC L02BB02
UNII 51G6I8B902
EPA CompTox DTXSID3034165

Structure

InChI Key XWXYUMMDTVBTOU-UHFFFAOYSA-N
Smiles CC1(C)NC(=O)N(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1=O
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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H10F3N3O4
Molecular Weight 317.22
AlogP 2.45
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 92.55
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 22.0

Pharmacology

Mechanism of Action Action Reference
Androgen Receptor antagonist ANTAGONIST DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- - - - 98-99
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
- 9-600 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 97.83-116.58
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 97.83-116.58
Homo sapiens
- 9-600 - - 98-99

Target Conservation

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

Cross References

Resources Reference
ChEBI 7573
ChEMBL CHEMBL1274
DrugBank DB00665
DrugCentral 1933
FDA SRS 51G6I8B902
Human Metabolome Database HMDB0014803
Guide to Pharmacology 2864
KEGG C08164
PharmGKB PA450632
PubChem 4493
SureChEMBL SCHEMBL12670
ZINC ZINC000003874498
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