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Compound Detail

CHEMBL24750

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CCCCOC(=O)NC(Cc1ccccc1)C(=O)CC(C)C(=O)N1CCCC1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL24750
Phase Preclinical
Structure Type MOL
InChI Key SJZSCNBOYIWMHJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

432.5
MW (Da)
2.79
ALogP
5
HBA
2
HBD
113.0
PSA (Ų)
0.52
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H32N2O6
MW 432.52
Aromatic Rings 1
Heavy Atoms 31
NP-Likeness -0.18

Activity Summary

IC50 1 meas. best 7.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Angiotensin-converting enzyme
CHEMBL2096989
 IC50 7.54 7.54 29.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Angiotensin-converting enzyme IC50 = 29.0 nM 7.54 Inhibition of guinea pig serum Angiotensin I converting enzyme 6292422

Literature References

PubMed DOI Target Context # Activities
6292422 10.1021/jm00353a005 Rattus norvegicus 3
6292422 10.1021/jm00353a005 Angiotensin-converting enzyme 1

Data from ChEMBL 36 via Core Engine