DAROLUTAMIDE

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC L02BB06
UNII X05U0N2RCO

Structure

InChI Key BLIJXOOIHRSQRB-PXYINDEMSA-N
Smiles CC(O)c1cc(C(=O)N[C@@H](C)Cn2ccc(-c3ccc(C#N)c(Cl)c3)n2)n[nH]1
InChI
InChI=1S/C19H19ClN6O2/c1-11(22-19(28)18-8-17(12(2)27)23-24-18)10-26-6-5-16(25-26)13-3-4-14(9-21)15(20)7-13/h3-8,11-12,27H,10H2,1-2H3,(H,22,28)(H,23,24)/t11-,12?/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H19ClN6O2
Molecular Weight 398.85
AlogP 2.67
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 119.62
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 28.0

Pharmacology

Mechanism of Action Action Reference
Androgen Receptor antagonist ANTAGONIST PubMed Other
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
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
- 26 - 11 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 26 - 11 -

Target Conservation

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

Cross References

Resources Reference
ChEMBL CHEMBL4297185
DrugBank DB12941
FDA SRS X05U0N2RCO
Guide to Pharmacology 10439
PubChem 67171867
SureChEMBL SCHEMBL1814935
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