GESTODENE

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Synonyms
Status
Molecule Category Free-form
UNII 1664P6E6MI
EPA CompTox DTXSID6046478

Structure

InChI Key SIGSPDASOTUPFS-XUDSTZEESA-N
Smiles C#C[C@]1(O)C=C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC
InChI
InChI=1S/C21H26O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,10,12-13,16-19,23H,3,5-9,11H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H26O2
Molecular Weight 310.44
AlogP 3.66
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 23.0

Pharmacology

Mechanism of Action Action Reference
Progesterone receptor agonist AGONIST PubMed

Target Conservation

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

Related Entries

Cross References

Resources Reference
ChEBI 135323
ChEMBL CHEMBL1213583
DrugBank DB06730
DrugCentral 1291
FDA SRS 1664P6E6MI
Human Metabolome Database HMDB0015668
Guide to Pharmacology 11246
PharmGKB PA165958397
PubChem 3033968
SureChEMBL SCHEMBL37271
ZINC ZINC000238809420
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