FINASTERIDE

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC D11AX10 G04CB01
UNII 57GNO57U7G
EPA CompTox DTXSID3020625

Structure

InChI Key DBEPLOCGEIEOCV-WSBQPABSSA-N
Smiles CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C
InChI
InChI=1S/C23H36N2O2/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4/h11,13-18H,6-10,12H2,1-5H3,(H,24,26)(H,25,27)/t14-,15-,16-,17+,18+,22-,23+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H36N2O2
Molecular Weight 372.55
AlogP 3.81
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 58.2
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 27.0

Pharmacology

Mechanism of Action Action Reference
Steroid 5-alpha-reductase 2 inhibitor INHIBITOR DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- 0.18-911 - 2-366 3.7-28
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 0.18-760 - 150 3.7-34.6
Mesocricetus auratus
- - - - 71
Rattus norvegicus
- 10-730 - - 0.0731-94.29

Target Conservation

Protein: Steroid 5-alpha-reductase 2
Description: 3-oxo-5-alpha-steroid 4-dehydrogenase 2
Organism : Homo sapiens
P31213 ENSG00000277893

Cross References

Resources Reference
ChEBI 5062
ChEMBL CHEMBL710
DrugBank DB01216
DrugCentral 1171
FDA SRS 57GNO57U7G
Human Metabolome Database HMDB0001984
Guide to Pharmacology 6818
PDB FIT
PharmGKB PA449627
PubChem 57363
SureChEMBL SCHEMBL5509
ZINC ZINC000003782599
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