dutasteride

Ligand id: 7457

Name: dutasteride

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 58.2
Molecular weight 528.22
XLogP 7.91
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
Approved drug? Yes (FDA (2001))
IUPAC Name
(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-[2,5-bis(trifluoromethyl)phenyl]-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide
International Nonproprietary Names
INN number INN
7586 dutasteride
Synonyms
Avodart® | GG-745 | GI-198745
Database Links
CAS Registry No. 164656-23-9
ChEBI CHEBI:521033
ChEMBL Ligand CHEMBL1200969
DrugBank Ligand DB01126
GtoPdb PubChem SID 187051760
PubChem CID 6918296
Search Google for chemical match using the InChIKey JWJOTENAMICLJG-QWBYCMEYSA-N
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Wikipedia Dutasteride
Comments
Dutasteride is a 5α-reductase inhibitor, which inhibits conversion of testosterone to dihydrotestosterone (DHT). There are three 5α-reductase isozymes: SRD5A1, SRD5A2 and SRD5A3, all of which are inhibited by dutasteride [1-2].