TESTOLACTONE

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Trade Names
Synonyms
Status
Molecule Category Free-form
UNII 6J9BLA949Q
EPA CompTox DTXSID2023644

Structure

InChI Key BPEWUONYVDABNZ-DZBHQSCQSA-N
Smiles C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)OC(=O)CC[C@@H]12
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
Polar Surface Area 43.37
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 22.0

Pharmacology

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

Target Conservation

Protein: Cytochrome P450 19A1
Description: Aromatase
Organism : Homo sapiens
P11511 ENSG00000137869

Related Entries

Cross References

Resources Reference
ChEBI 9460
ChEMBL CHEMBL1571
DrugBank DB00894
DrugCentral 2606
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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