General
Preferred name
devazepide
Synonyms
L-364,718 ()
MK-329 ()
L-364718 ()
DEVAZEPIDA ()
P&D ID
PD041527
CAS
103420-77-5
Tags
available
drug candidate
Drug indication
Gastrointestinal disease
Drug Status
investigational
Max Phase
2.0
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 Devazepide (L-364,718) is a potent, competitive, selective and orally active nonpeptide antagonist of cholecystokinin (CCK) receptor, with IC50s of 81 pM, 45 pM and 245 nM for rat pancreatic, bovine gallbladder and guinea pig brain CCK receptors, respectively. Devazepide (L-364,718) is effective for gastrointestinal disorders[1].
DESCRIPTION Devazepide is a potent and orally active cholecystokinin A(CCK-A) receptor antagonist with IC50 value of 0.26 nM. It is a derivative of benzodiazepine that displays appetite-stimulant effects. It blocks the anorectic response to CCK-8 and increases food intake in rats. It increases appetite and accelerates gastric emptying. It is used as a potential treatment for a variety of gastrointestinal problems including gastroparesis, dyspepsia and gastric reflux. It was developed by Merck Sharp & Dohme and was terminated in clinic phase 2 trials. (BOC Sciences Bioactive Compounds)
DESCRIPTION Potent, orally active ghrelin receptor agonist (Tocris Bioactive Compound Library)
Cell lines
0
Organisms
1
Compound Sets
12
BOC Sciences Bioactive Compounds
devazepide-cas-103420-77-5-item-223676
Cayman Chemical Bioactives
38509
ChEMBL Drugs
CHEMBL9506
CZ-OPENSCREEN Bioactive Library
Drug Repurposing Hub
DrugMAP
DMD4N2F
EUbOPEN Chemogenomics Library
EUB0000367
MedChem Express Bioactive Compound Library
HY-106301
Novartis Chemogenetic Library (NIBR MoA Box)
ReFrame library
Tocris Bioactive Compound Library
2304
ZINC Tool Compounds
ZINC000001847292
External IDs
24
Properties
(calculated by RDKit )
Molecular Weight
408.16
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
2
Rotatable Bonds
3
Ring Count
5
Aromatic Ring Count
4
cLogP
3.74
TPSA
77.56
Fraction CSP3
0.08
Chiral centers
1.0
Largest ring
7.0
QED
0.54
Structural alerts
2
aggregator (Aggregator Advisor)
Aggregators
aggregator (ZINC)
Aggregators
Related compounds
Custom attributes
(extracted from source data)
Primary Target
CCK1 Receptors
MOA
Antagonist
CCK1 (CCKA) Antagonists
CCK receptor antagonist
Member status
member
Pathway
GPCR/G protein
Neuronal Signaling
Solubility
Soluble to 100 mM in DMSO and to 50 mM in ethanol
Recommended Cell Concentration
1 nM
Target
Cholecystokinin Receptor
Source data