TRILOSTANE

Search structure
Trade Names:
Synonyms:
Status: Approved (1984)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: H02CA01
UNII: L0FPV48Q5R

Structure
InChI Key KVJXBPDAXMEYOA-CXANFOAXSA-N
Smile C[C@]12CC[C@H]3[C@@H](CC[C@@]45O[C@@H]4C(O)=C(C#N)C[C@]35C)[C@@H]1CC[C@@H]2O
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H27NO3
Molecular Weight 329.44
AlogP 3.47
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 0.0
Polar Surface Area 76.78
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 24.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR 3-beta-hydroxysteroid dehydrogenase/delta 5-->4-isomerase type II inhibitor ISBN Wikipedia Wikipedia Wikipedia
Primary Target
hydroxy-delta-5-steroid dehydrogenase, 3 beta- and steroid delta-isomerase 2

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Prostatic Neoplasms 2 D011471 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 13647-35-3
ChEBI 32260
ChEMBL CHEMBL1200907
DrugBank DB01108
DrugCentral 2746
EPA CompTox DTXSID9023706
FDA SRS L0FPV48Q5R
Human Metabolome Database HMDB0015240
Guide to Pharmacology 6850
KEGG C12580
PharmGKB PA164748507
PubChem 656583
SureChEMBL SCHEMBL7517
ZINC ZINC000100038546
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