MK-0736

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Synonyms
Status
Molecule Category Free-form
UNII 9RT16RBU2Y

Structure

InChI Key ORQZQBUNAMJFCY-UHFFFAOYSA-N
Smiles CCS(=O)(=O)CCCC12CCC(c3nnc(-c4ccccc4C(F)(F)F)n3C)(CC1)CC2
InChI
InChI=1S/C23H30F3N3O2S/c1-3-32(30,31)16-6-9-21-10-13-22(14-11-21,15-12-21)20-28-27-19(29(20)2)17-7-4-5-8-18(17)23(24,25)26/h4-5,7-8H,3,6,9-16H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H30F3N3O2S
Molecular Weight 469.57
AlogP 5.31
Hydrogen Bond Acceptor 5.0
Number of Rotational Bond 7.0
Polar Surface Area 64.85
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 32.0

Pharmacology

Mechanism of Action Action Reference
11-beta-hydroxysteroid dehydrogenase 1 inhibitor INHIBITOR PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- 2.4-3.2 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 3.2 - - -
Mus musculus
- 2.4 - - 63-92

Target Conservation

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

Cross References

Resources Reference
ChEMBL CHEMBL1761322
DrugBank DB15209
FDA SRS 9RT16RBU2Y
PubChem 22591684
SureChEMBL SCHEMBL826622
ZINC ZINC000003960659
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