General
Preferred name
MK-0686
Synonyms
MK0686 ()
MK 0686 ()
P&D ID
PD058557
CAS
578727-68-1
Tags
available
drug candidate
Drug Status
investigational
Max Phase
2.0
Drug indication
Pain
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
PRICE 406
DESCRIPTION MK0686 is a bradykinin B1 receptor antagonist. It exhibits suitable pharmacokinetic properties and efficient ex vivo receptor occupancy for further development as a novel approach for the treatment of pain and inflammation. It had been in phase II clinical trials by Merck Sharp & Dohme for the treatment of postherpetic neuralgia, postoperative pain and osteoarthritis. But it is discontinued now. (BOC Sciences Bioactive Compounds)
DESCRIPTION MK-0686 is an orally available bradykinin B1 receptor antagonist with potential anti-inflammatory activity. (TargetMol Bioactive Compound Library)
Compound Sets
7
BOC Sciences Bioactive Compounds
mk0686-cas-578727-68-1-item-459313
ChEMBL Drugs
CHEMBL232943
DrugBank
DB12563
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL232943
MedChem Express Bioactive Compound Library
HY-15042
ReFrame library
TargetMol Bioactive Compound Library
T33421
External IDs
18
Properties
(calculated by RDKit )
Molecular Weight
486.1
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
2
Rotatable Bonds
6
Ring Count
3
Aromatic Ring Count
2
cLogP
4.32
TPSA
84.5
Fraction CSP3
0.32
Chiral centers
1.0
Largest ring
6.0
QED
0.47
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
Bradykinin Receptor
Pathway
GPCR/G protein
Solubility
Soluble in DMSO, not in water
Source data