HYDROXYPROGESTERONE CAPROATE

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Trade Names
Synonyms
Status
Molecule Category Free-form
UNII 276F2O42F5
EPA CompTox DTXSID6043915

Structure

InChI Key DOMWKUIIPQCAJU-LJHIYBGHSA-N
Smiles CCCCCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
InChI
InChI=1S/C27H40O4/c1-5-6-7-8-24(30)31-27(18(2)28)16-13-23-21-10-9-19-17-20(29)11-14-25(19,3)22(21)12-15-26(23,27)4/h17,21-23H,5-16H2,1-4H3/t21-,22+,23+,25+,26+,27+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H40O4
Molecular Weight 428.61
AlogP 5.97
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 6.0
Polar Surface Area 60.44
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 31.0

Pharmacology

Mechanism of Action Action Reference
Progesterone receptor agonist AGONIST PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 40.59-55.76
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 40.59-55.76

Target Conservation

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

Related Entries

Cross References

Resources Reference
ChEBI 5812
ChEMBL CHEMBL1200848
DrugBank DB06789
DrugCentral 4189
FDA SRS 276F2O42F5
KEGG C08148
PubChem 169870
SureChEMBL SCHEMBL5330
ZINC ZINC000004083606
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