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Compound Detail

CHEMBL430554

LIBENZAPRIL
🧪 Phase II
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🧪 Phase II
NCCCC[C@H](N[C@H]1CCc2ccccc2N(CC(=O)O)C1=O)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL430554
Name LIBENZAPRIL
Phase Phase II
Structure Type MOL
InChI Key AXTCRUUITQKBAV-KBPBESRZSA-N

Known Names

Abutapril CGS 16617 CGS-16617 Libenzapril
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
4
Known Names

Molecular Properties

363.4
MW (Da)
0.59
ALogP
5
HBA
4
HBD
133.0
PSA (Ų)
0.47
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer
USAN Stem -pril
USAN Year 1988

Extended Properties

Molecular Formula C18H25N3O5
MW 363.41
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -0.02

Activity Summary

IC50 1 meas. best 8.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Angiotensin-converting enzyme
CHEMBL1808
 IC50 8.15 8.15 7.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Angiotensin-converting enzyme IC50 = 7.0 nM 8.15 In vitro inhibitory activity against Angiotensin I converting enzyme 2999394

Literature References

PubMed DOI Target Context # Activities
2999394 10.1021/jm00149a010 Rattus norvegicus 2
2999394 10.1021/jm00149a010 Angiotensin-converting enzyme 1
2999394 10.1021/jm00149a010 Canis familiaris 1

Data from ChEMBL 36 via Core Engine