MK-0736

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 9RT16RBU2Y

Structure
InChI Key ORQZQBUNAMJFCY-UHFFFAOYSA-N
Smile 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
Hydrogen Bond Donor 0.0
Number of Rotational Bond 7.0
Polar Surface Area 64.85
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 32.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR 11-beta-hydroxysteroid dehydrogenase 1 inhibitor PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- 2 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hypertension 2 D006973 ClinicalTrials
Peripheral Vascular Diseases 1 D016491 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 719272-79-4
ChEMBL CHEMBL1761322
DrugBank DB15209
FDA SRS 9RT16RBU2Y
PubChem 22591684
SureChEMBL SCHEMBL826622
ZINC ZINC000003960659
CONTENTS