ETONOGESTREL

Search structure
Synonyms:
Status: Approved (2001)
Entry Type: Small molecule
Molecule Category: Parent
ATC: G03AC08
UNII: 304GTH6RNH

Structure
InChI Key GCKFUYQCUCGESZ-BPIQYHPVSA-N
Smile 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

Action Mechanism of Action Reference
AGONIST Progesterone receptor agonist ISBN Wikipedia
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Secreted protein
- - 6 - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Prostatic Hyperplasia 2 D011470 ClinicalTrials
Acquired Immunodeficiency Syndrome 2 D000163 ClinicalTrials
HIV Infections 2 D015658 ClinicalTrials
Dysmenorrhea 2 D004412 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 50777
ChEMBL CHEMBL1531
DrugBank DB00294
DrugCentral 1110
EPA CompTox DTXSID9046782
FDA SRS 304GTH6RNH
Human Metabolome Database HMDB0014439
Guide to Pharmacology 7590
SureChEMBL SCHEMBL117703
ZINC ZINC000011680067
CONTENTS