TESTOLACTONE

Search structure
Trade Names:
Synonyms:
Status: Approved (1969)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 6J9BLA949Q

Structure
InChI Key BPEWUONYVDABNZ-DZBHQSCQSA-N
Smile C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CCC(=O)O2
InChI
InChI=1S/C19H24O3/c1-18-9-7-13(20)11-12(18)3-4-14-15(18)8-10-19(2)16(14)5-6-17(21)22-19/h7,9,11,14-16H,3-6,8,10H2,1-2H3/t14-,15+,16+,18+,19+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H24O3
Molecular Weight 300.4
AlogP 3.59
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 0.0
Polar Surface Area 43.37
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 22.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Cytochrome P450 19A1 inhibitor FDA
Primary Target
CYP19A1
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 19 Cytochrome P450 family 19A Cytochrome P450 19A1
- - - 35000 16-22

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Puberty, Precocious 2 D011629 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 968-93-4
ChEBI 9460
ChEMBL CHEMBL1571
DrugBank DB00894
DrugCentral 2606
EPA CompTox DTXSID2023644
FDA SRS 6J9BLA949Q
Human Metabolome Database HMDB0015031
Guide to Pharmacology 7303
KEGG C02197
PharmGKB PA164743056
PubChem 13769
SureChEMBL SCHEMBL4053
ZINC ZINC000004081771
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