ETHYNODIOL DIACETATE

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Synonyms
Status
Molecule Category Free-form
UNII 62H10A1236
EPA CompTox DTXSID4020614

Structure

InChI Key ONKUMRGIYFNPJW-KIEAKMPYSA-N
Smiles C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=C[C@@H](OC(C)=O)CC[C@@H]4[C@H]3CC[C@@]21C
InChI
InChI=1S/C24H32O4/c1-5-24(28-16(3)26)13-11-22-21-8-6-17-14-18(27-15(2)25)7-9-19(17)20(21)10-12-23(22,24)4/h1,14,18-22H,6-13H2,2-4H3/t18-,19-,20+,21+,22-,23-,24-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H32O4
Molecular Weight 384.52
AlogP 4.43
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 2.0
Polar Surface Area 52.6
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 28.0

Pharmacology

Mechanism of Action Action Reference
Progesterone receptor agonist AGONIST KEGG PubMed PubMed PubMed
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Rattus norvegicus
- 20 - - -

Target Conservation

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

Cross References

Resources Reference
ChEBI 31580
ChEMBL CHEMBL1200624
DrugBank DB00823
DrugCentral 1095
FDA SRS 62H10A1236
Human Metabolome Database HMDB0014961
Guide to Pharmacology 7072
PharmGKB PA164749157
SureChEMBL SCHEMBL40888
ZINC ZINC000003876023
CONTENTS