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Compound Detail

CHEMBL311363

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C[C@@H]1CCCC(NC(CCc2ccccc2)C(=O)O)C(=O)N1CC(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL311363
Phase Preclinical
Structure Type MOL
InChI Key CTSKSCPCVAXLDX-IUDNXUCKSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

362.4
MW (Da)
1.52
ALogP
4
HBA
3
HBD
106.9
PSA (Ų)
0.65
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H26N2O5
MW 362.43
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -0.08

Activity Summary

IC50 1 meas. best 8.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Angiotensin-converting enzyme
CHEMBL1808
 IC50 8.52 8.52 3.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Angiotensin-converting enzyme IC50 = 3.02 nM 8.52 Inhibitory activity against angiotensin converting enzyme (ACE) 8360884

Literature References

PubMed DOI Target Context # Activities
8360884 10.1021/jm00068a017 Angiotensin-converting enzyme 1

Data from ChEMBL 36 via Core Engine