ETONOGESTREL

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Synonyms
Status
Molecule Category Free-form
ATC G03AC08
UNII 304GTH6RNH
EPA CompTox DTXSID9046782

Structure

InChI Key GCKFUYQCUCGESZ-BPIQYHPVSA-N
Smiles C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3C(=C)C[C@@]21CC
InChI
InChI=1S/C22H28O2/c1-4-21-13-14(3)20-17-9-7-16(23)12-15(17)6-8-18(20)19(21)10-11-22(21,24)5-2/h2,12,17-20,24H,3-4,6-11,13H2,1H3/t17-,18-,19-,20+,21-,22-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H28O2
Molecular Weight 324.46
AlogP 4.05
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 37.3
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 24.0

Pharmacology

Mechanism of Action Action Reference
Progesterone receptor agonist AGONIST ISBN Wikipedia
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Secreted protein
- - 5.888 - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - 5.888 - -

Target Conservation

Protein: Progesterone receptor
Description: Progesterone receptor
Organism : Homo sapiens
P06401 ENSG00000082175

Cross References

Resources Reference
ChEBI 50777
ChEMBL CHEMBL1531
DrugBank DB00294
DrugCentral 1110
FDA SRS 304GTH6RNH
Human Metabolome Database HMDB0014439
Guide to Pharmacology 7590
SureChEMBL SCHEMBL117703
ZINC ZINC000011680067
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