FORMESTANE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: Parent
ATC: L02BG02
UNII: PUB9T8T355

Structure
InChI Key OSVMTWJCGUFAOD-KZQROQTASA-N
Smile C[C@]12CC[C@H]3[C@@H](CCC4=C(O)C(=O)CC[C@@]43C)[C@@H]1CCC2=O
InChI
InChI=1S/C19H26O3/c1-18-10-8-15(20)17(22)14(18)4-3-11-12-5-6-16(21)19(12,2)9-7-13(11)18/h11-13,22H,3-10H2,1-2H3/t11-,12-,13-,18+,19-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H26O3
Molecular Weight 302.41
AlogP 3.97
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 0.0
Polar Surface Area 54.37
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 22.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 19 Cytochrome P450 family 19A Cytochrome P450 19A1
- 30-58600 - 27-542 49-100
Enzyme Oxidoreductase
- - - - 7-8
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 106

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 75172
ChEMBL CHEMBL132530
DrugBank DB08905
DrugCentral 1238
EPA CompTox DTXSID3034113
FDA SRS PUB9T8T355
PubChem 11273
SureChEMBL SCHEMBL25717
ZINC ZINC000003919580
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