CARBENOXOLONE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: A02BX01
UNII: MM6384NG73

Structure
InChI Key OBZHEBDUNPOCJG-WBXJDKIVSA-N
Smile CC1(C)[C@@H](OC(=O)CCC(=O)O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@]21C
InChI
InChI=1S/C34H50O7/c1-29(2)23-10-13-34(7)27(32(23,5)12-11-24(29)41-26(38)9-8-25(36)37)22(35)18-20-21-19-31(4,28(39)40)15-14-30(21,3)16-17-33(20,34)6/h18,21,23-24,27H,8-17,19H2,1-7H3,(H,36,37)(H,39,40)/t21-,23-,24-,27+,30+,31-,32-,33+,34+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C34H50O7
Molecular Weight 570.77
AlogP 6.83
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 117.97
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 41.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR 11-beta-hydroxysteroid dehydrogenase inhibitor PubMed PubMed PubMed Other PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
82 83-1630 - 62 12-88
Enzyme
82 83-1630 - 62 12-88

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL499915
DrugBank DB02329
DrugCentral 493
EPA CompTox DTXSID4022733
FDA SRS MM6384NG73
Guide to Pharmacology 4151
PDB CBO
PubChem 636403
SureChEMBL SCHEMBL76013
ZINC ZINC000003977823
CONTENTS