Structure

InChI Key RJKFOVLPORLFTN-LEKSSAKUSA-N
Smiles CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
InChI
InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H30O2
Molecular Weight 314.47
AlogP 4.72
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 34.14
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 23.0

Pharmacology

Mechanism of Action Action Reference
Progesterone receptor agonist AGONIST PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Auxiliary transport protein Fatty acid binding protein family
- - - 27 -
Enzyme Oxidoreductase
- - - - 7.3-19.1
Membrane receptor
- - 239 260 -
Other membrane protein
- - - 660-661 -
Secreted protein
- - 114.82 41.69 -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group A Nuclear hormone receptor subfamily 3 group A member 1
- - 3.9 - -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group A Nuclear hormone receptor subfamily 3 group A member 2
- - 3.9 - -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group C Nuclear hormone receptor subfamily 3 group C member 1
- - - 30.5-30.5 -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group C Nuclear hormone receptor subfamily 3 group C member 2
- 14-30 0.39 - -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group C Nuclear hormone receptor subfamily 3 group C member 3
0.1-50 0.2-17 - 3.4-10.4 -
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
- 13.7-37 - 8.5-35 46
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - -362.6-92
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 55.7
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cavia porcellus
- - - 260-661 -
Cricetulus griseus
- - - - 52.43-92
Homo sapiens
0.1-50 3.4-37 0.39-114.82 3.4-35 -362.6-63.9
Mus musculus
- 37 - - 44-46
Oryctolagus cuniculus
- 6-6 - 10.4 -
Rattus norvegicus
- - 3.9-441 27 4-42

Target Conservation

Protein: Progesterone receptor

Description: Progesterone receptor

Organism : Homo sapiens

P06401 ENSG00000082175

Related Entries

Cross References

Resources Reference
ChEBI 17026
ChEMBL CHEMBL103
DrugBank DB00396
DrugCentral 2279
FDA SRS 4G7DS2Q64Y
Human Metabolome Database HMDB0001830
Guide to Pharmacology 2377
KEGG C00410
PDB STR
PharmGKB PA451123
PubChem 5994
SureChEMBL SCHEMBL7671
ZINC ZINC000004428529