BMS-823778

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Mixture
UNII 8JYO8VTR11

Structure

InChI Key PTIFVLOBVCIMKL-UHFFFAOYSA-N
Smiles CC(C)(O)c1cccn2c(C3(c4ccc(Cl)cc4)CC3)nnc12
InChI
InChI=1S/C18H18ClN3O/c1-17(2,23)14-4-3-11-22-15(14)20-21-16(22)18(9-10-18)12-5-7-13(19)8-6-12/h3-8,11,23H,9-10H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H19Cl2N3O
Molecular Weight 364.28
AlogP 3.69
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 50.42
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 23.0

Pharmacology

Mechanism of Action Action Reference
11-beta-hydroxysteroid dehydrogenase 1 inhibitor INHIBITOR PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- 2.3-600 - 0.9-380 -
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- - - - 19.8-31.2
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 2.3 - 0.9 19.8-31.2
Macaca fascicularis
- - - 7 -
Mus musculus
- 600 - 380 -

Target Conservation

Protein: 11-beta-hydroxysteroid dehydrogenase 1
Description: 11-beta-hydroxysteroid dehydrogenase 1
Organism : Homo sapiens
P28845 ENSG00000117594

Cross References

Resources Reference
ChEMBL CHEMBL4301600
FDA SRS 8JYO8VTR11
Guide to Pharmacology 10158
PDB HJG
PubChem 54669979
SureChEMBL SCHEMBL646462
ChEMBL CHEMBL4297457
FDA SRS C82R061MZ5
Guide to Pharmacology 10158
PubChem 54669979
SureChEMBL SCHEMBL647628
CONTENTS