DESOGESTREL

Search structure
Synonyms:
Status: Approved (1992)
Entry Type: Small molecule
Molecule Category: Parent
ATC: G03AC09
UNII: 81K9V7M3A3

Structure
InChI Key RPLCPCMSCLEKRS-BPIQYHPVSA-N
Smile 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

Action Mechanism of Action Reference
AGONIST Progesterone receptor 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
Secreted protein
- - 251 - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hemorrhage 3 D006470 ClinicalTrials
Polycystic Ovary Syndrome 3 D011085 ClinicalTrials
Amenorrhea 3 D000568 ClinicalTrials
Sleep Apnea, Central 2 D020182 ClinicalTrials

Related Entries

Scaffolds

Mixture

Cross References

Resources Reference
CAS NUMBER 54024-22-5
ChEBI 4453
ChEMBL CHEMBL1533
DrugBank DB00304
DrugCentral 818
EPA CompTox DTXSID6022898
FDA SRS 81K9V7M3A3
Human Metabolome Database HMDB0014449
Guide to Pharmacology 7065
KEGG C07629
PharmGKB PA449238
PubChem 40973
SureChEMBL SCHEMBL41341
ZINC ZINC000004097416
CONTENTS