FORMESTANE

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
ATC L02BG02
UNII PUB9T8T355
EPA CompTox DTXSID3034113

Structure

InChI Key OSVMTWJCGUFAOD-KZQROQTASA-N
Smiles C[C@]12CCC(=O)C(O)=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12
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
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
- 30-800 - 27-542 49-99.65
Enzyme Oxidoreductase
- - - - 7.1-8.1
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 81.74-106.05
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 81.74-106.05
Homo sapiens
- 30-800 - 27-542 7.1-99.65
Rattus norvegicus
- - - - 71-99.2

Cross References

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