NORGESTREL

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Trade Names
Synonyms
Status
Molecule Category Free-form
UNII 3J8Q1747Z2

Structure

InChI Key WWYNJERNGUHSAO-CULCCENASA-N
Smiles C#CC1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC
InChI
InChI=1S/C21H28O2/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/h2,13,16-19,23H,3,5-12H2,1H3/t16-,17+,18+,19-,20-,21?/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H28O2
Molecular Weight 312.45
AlogP 3.88
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 Expert
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Secreted protein
- - 1.23 - -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group C Nuclear hormone receptor subfamily 3 group C member 4
- 18.62 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 90.26-102.87
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 90.26-102.87
Homo sapiens
- - 1.23 - -
Rattus norvegicus
- 18.62 - - -

Target Conservation

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

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL2107797
FDA SRS 3J8Q1747Z2
SureChEMBL SCHEMBL37118
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