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Compound Detail

CHEMBL172917

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CC(=O)NC(Cc1ccccc1)C(=O)CCC(=O)N1CCC[C@H]1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL172917
Phase Preclinical
Structure Type MOL
InChI Key GUNQROGTUYRSGK-LYKKTTPLSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

360.4
MW (Da)
1.16
ALogP
4
HBA
2
HBD
103.8
PSA (Ų)
0.72
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 C19H24N2O5
MW 360.41
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -0.35

Activity Summary

IC50 1 meas. best 6.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Angiotensin-converting enzyme
CHEMBL1808
 IC50 6.48 6.48 330.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Angiotensin-converting enzyme IC50 = 330.0 nM 6.48 Concentration required to inhibit the activity of Angiotensin I converting enzym... 6173481

Literature References

PubMed DOI Target Context # Activities
6173481 10.1021/jm00140a010 Rattus norvegicus 2
6173481 10.1021/jm00140a010 Angiotensin-converting enzyme 1

Data from ChEMBL 36 via Core Engine