trilostane   Click here for help

GtoPdb Ligand ID: 6850

Synonyms: Vetoryl® | WIN 24,540 | WIN-24540
Approved drug
trilostane is an approved drug (FDA (date of approval not specified))
Compound class: Synthetic organic
Comment: Trilostane is a 3 β-hydroxysteroid dehydrogenase (gene symbol HSD3B1) inhibitor. It is now used mainly in veterinary practice.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 0
Topological polar surface area 76.78
Molecular weight 329.2
XLogP 2.64
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES N#CC1=C(O)C2C3(C(C1)(C)C1CCC4(C(C1CC3)CCC4O)C)O2
Isomeric SMILES N#CC1=C(O)[C@@H]2[C@]3([C@@](C1)(C)[C@H]1CC[C@]4([C@H]([C@@H]1CC3)CC[C@@H]4O)C)O2
InChI InChI=1S/C20H27NO3/c1-18-7-6-14-12(13(18)3-4-15(18)22)5-8-20-17(24-20)16(23)11(10-21)9-19(14,20)2/h12-15,17,22-23H,3-9H2,1-2H3/t12-,13-,14-,15-,17+,18-,19+,20+/m0/s1
InChI Key KVJXBPDAXMEYOA-CXANFOAXSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (date of approval not specified))
Withdrawn drug? Yes
International Nonproprietary Names Click here for help
INN number INN
3928 trilostane
Synonyms Click here for help
Vetoryl® | WIN 24,540 | WIN-24540
Database Links Click here for help
CAS Registry No. 13647-35-3
ChEMBL Ligand CHEMBL1200907
DrugBank Ligand DB01108
DrugCentral Ligand 2746
GtoPdb PubChem SID 178103456
PubChem CID 656583
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Wikipedia Trilostane