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Compound Detail

CHEMBL24064

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O=C(O)CCCC(=O)N1c2ccccc2CC1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL24064
Phase Preclinical
Structure Type MOL
InChI Key UXOWSMLTNJZPCC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

277.3
MW (Da)
1.28
ALogP
3
HBA
2
HBD
94.9
PSA (Ų)
0.85
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H15NO5
MW 277.28
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.36

Activity Summary

IC50 1 meas. best 6.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Angiotensin-converting enzyme
CHEMBL4074
 IC50 6.58 6.58 260.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Angiotensin-converting enzyme IC50 = 260.0 nM 6.58 In vitro inhibition of angiotensin I converting enzyme (ACE) 6310113

Literature References

PubMed DOI Target Context # Activities
6310113 10.1021/jm00363a012 Rattus norvegicus 2
6310113 10.1021/jm00363a012 Angiotensin-converting enzyme 1

Data from ChEMBL 36 via Core Engine