General
Preferred name
MK-0249
Synonyms
MK0249 ()
P&D ID
PD047129
CAS
1167574-41-5
862309-06-6
Tags
available
drug candidate
Drug indication
Insulin-resistant disorder
Drug Status
investigational
Max Phase
Phase 2
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION H3 receptor inverse agonists may be efficacious for central nervous system disorders, including excessive daytime sleepiness, attention deficit hyperactivity disorder, Alzheimer disease, ethanol addiction, and obesity . (GtoPdb)
DESCRIPTION This active molecular is a potent histamine H3 inverse antagonist. Current antipsychotic treatments have little impact on the cognitive deficits associated with schizophrenia. MK-0249 might improve cognitive deficits in patients with schizophrenia in due to promote histamine release that may enhance cognition. In Dec 2006, Phase-II clinical trials in Alzheimer's disease in USA was on going. In Dec 2009, adverse events data from a clinical trial in healthy subjects was presented. In Jun 2012, Pharmacodynamics data from a phase I trial in Sleep apnoea syndrome was reported by Merck. (BOC Sciences Bioactive Compounds)
Compound Sets
12
BOC Sciences Bioactive Compounds
mk-0249-cas-1167574-41-5-item-475117
ChEMBL Drugs
CHEMBL476323
Concise Guide to Pharmacology 2017/18
7346
Concise Guide to Pharmacology 2019/20
7346
Concise Guide to Pharmacology 2021/22
7346
Concise Guide to Pharmacology 2023/24
7346
DrugBank
DB11910
DrugMAP
DMAPV6J
Guide to Pharmacology
7346
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL476323
MedChem Express Bioactive Compound Library
HY-U00076
ReFrame library
External IDs
19
Properties
(calculated by RDKit )
Molecular Weight
431.18
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
0
Rotatable Bonds
6
Ring Count
4
Aromatic Ring Count
3
cLogP
4.58
TPSA
47.36
Fraction CSP3
0.39
Chiral centers
0.0
Largest ring
6.0
QED
0.54
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Pathway
GPCR/G protein
Immunology/Inflammation
Neuronal Signaling
Target
Histamine Receptor
Solubility
Soluble in DMSO
Source data