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Compound Detail

CHEMBL62678

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C[C@@H](CCC(=O)O)C(=O)N1CCCC1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL62678
Phase Preclinical
Structure Type MOL
InChI Key VCEONNJJOZVVIA-JAMMHHFISA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

243.3
MW (Da)
0.56
ALogP
3
HBA
2
HBD
94.9
PSA (Ų)
0.74
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 C11H17NO5
MW 243.26
Aromatic Rings 0
Heavy Atoms 17
NP-Likeness 0.24

Activity Summary

IC50 1 meas. best 5.31

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Angiotensin-converting enzyme
CHEMBL1808
 IC50 5.31 5.31 4900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Angiotensin-converting enzyme IC50 = 4900.0 nM 5.31 Inhibition of Angiotensin I converting enzyme 8340909

Literature References

PubMed DOI Target Context # Activities
8340909 10.1021/jm00067a001 Angiotensin-converting enzyme 1

Data from ChEMBL 36 via Core Engine