ETHYNODIOL DIACETATE

Search structure
Synonyms:
Status: Approved (1966)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 62H10A1236

Structure
InChI Key ONKUMRGIYFNPJW-KIEAKMPYSA-N
Smile 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
Hydrogen Bond Donor 0.0
Number of Rotational Bond 2.0
Polar Surface Area 52.6
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 28.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Progesterone receptor agonist KEGG PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- 62000 - - -

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 31580
ChEMBL CHEMBL1200624
DrugBank DB00823
DrugCentral 1095
EPA CompTox DTXSID4020614
FDA SRS 62H10A1236
Human Metabolome Database HMDB0014961
Guide to Pharmacology 7072
PharmGKB PA164749157
SureChEMBL SCHEMBL40888
ZINC ZINC000003876023
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