DESOGESTREL

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Synonyms
Status
Molecule Category Free-form
ATC G03AC09
UNII 81K9V7M3A3
EPA CompTox DTXSID6022898

Structure

InChI Key RPLCPCMSCLEKRS-BPIQYHPVSA-N
Smiles C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3C(=C)C[C@@]21CC
InChI
InChI=1S/C22H30O/c1-4-21-14-15(3)20-17-9-7-6-8-16(17)10-11-18(20)19(21)12-13-22(21,23)5-2/h2,8,17-20,23H,3-4,6-7,9-14H2,1H3/t17-,18-,19-,20+,21-,22-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H30O
Molecular Weight 310.48
AlogP 4.87
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 20.23
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 23.0

Pharmacology

Mechanism of Action Action Reference
Progesterone receptor agonist AGONIST ISBN
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- - - - 79-88
Secreted protein
- - 251.19 - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - 251.19 - 79-88

Target Conservation

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

Related Entries

Cross References

Resources Reference
ChEBI 4453
ChEMBL CHEMBL1533
DrugBank DB00304
DrugCentral 818
FDA SRS 81K9V7M3A3
Human Metabolome Database HMDB0014449
Guide to Pharmacology 7065
KEGG C07629
PharmGKB PA449238
PubChem 40973
SureChEMBL SCHEMBL41341
ZINC ZINC000004097416
CONTENTS