CHLORMADINONE ACETATE

Search structure
Synonyms:
Status: Approved Withdrawn (1970)
Entry Type: Small molecule
Molecule Category: Parent
UNII: 0SY050L61N

Structure
InChI Key QMBJSIBWORFWQT-DFXBJWIESA-N
Smile 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
Hydrogen Bond Donor 0.0
Number of Rotational Bond 2.0
Polar Surface Area 60.44
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 28.0

Pharmacology

Action Mechanism of Action Reference
MODULATOR Progesterone receptor 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
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Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 31394
ChEMBL CHEMBL110691
DrugBank DB15903
DrugCentral 600
EPA CompTox DTXSID6020274
FDA SRS 0SY050L61N
KEGG C12729
PubChem 9324
SureChEMBL SCHEMBL15046
ZINC ZINC000003876041
CONTENTS