CHLORMADINONE ACETATE

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Synonyms
Status
Molecule Category Free-form
UNII 0SY050L61N
EPA CompTox DTXSID6020274

Structure

InChI Key QMBJSIBWORFWQT-DFXBJWIESA-N
Smiles CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
InChI
InChI=1S/C23H29ClO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h11-12,16-18H,5-10H2,1-4H3/t16-,17+,18+,21-,22+,23+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H29ClO4
Molecular Weight 404.93
AlogP 4.75
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 2.0
Polar Surface Area 60.44
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 28.0

Pharmacology

Mechanism of Action Action Reference
Progesterone receptor modulator MODULATOR 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
- - - - 9.748-24.36
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 9.748-24.36

Target Conservation

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

Cross References

Resources Reference
ChEBI 31394
ChEMBL CHEMBL110691
DrugBank DB15903
DrugCentral 600
FDA SRS 0SY050L61N
KEGG C12729
PubChem 9324
SureChEMBL SCHEMBL15046
ZINC ZINC000003876041
CONTENTS