General
Preferred name
OMAPATRILAT
Synonyms
BMS-186716 ()
Omapatrilate ()
BMS-186716-01 ()
P&D ID
PD016139
CAS
167305-00-2
159317-63-2
Tags
available
drug
Drug indication
Hypertension
Drug Status
approved
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 Omapatrilat is a dual inhibitor of the metalloproteases ACE and NEP with Ki values of 0.64 and 0.45 nM, respectively.
Compound Sets
9
ChEMBL Drugs
CHEMBL289556
Drug Repurposing Hub
DrugBank
DB00886
DrugCentral
1989
DrugCentral Approved Drugs
1989
DrugMAP
DMAGUY0
EU-OPENSCREEN Bioactive Compound Library
EOS100076
MedChem Express Bioactive Compound Library
HY-18208
Novartis Chemogenetic Library (NIBR MoA Box)
External IDs
26
Properties
(calculated by RDKit )
Molecular Weight
408.12
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
3
Rotatable Bonds
5
Ring Count
3
Aromatic Ring Count
1
cLogP
1.94
TPSA
86.71
Fraction CSP3
0.53
Chiral centers
4.0
Largest ring
7.0
QED
0.65
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Member status
virtual
MOA
Angiotensin-I Converting Enzyme (ACE) Inhibitors
Neprilysin (Enkephalinase, Neutral Endopeptidase, NEP) Inhibitors
metalloproteinase inhibitor
Target
ACE, MME
Angiotensin-converting Enzyme (ACE)
Pathway
Metabolic Enzyme/Protease
Source data