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Compound Detail

CHEMBL349119

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CCCC(N[C@H](C)C(=O)N1C(C(=O)O)CC2CCCCC21)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL349119
Phase Preclinical
Structure Type MOL
InChI Key ODAIHABQVKJNIY-ZGCIAEMCSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

340.4
MW (Da)
1.46
ALogP
4
HBA
3
HBD
106.9
PSA (Ų)
0.65
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C17H28N2O5
MW 340.42
Aromatic Rings 0
Heavy Atoms 24
NP-Likeness 0.26

Activity Summary

IC50 1 meas. best 5.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Angiotensin-converting enzyme
CHEMBL4074
 IC50 5.96 5.96 1100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Angiotensin-converting enzyme IC50 = 1100.0 nM 5.96 In vitro activity against angiotensin I converting enzyme especially against Hip... 1995891

Literature References

PubMed DOI Target Context # Activities
1995891 10.1021/jm00106a030 Angiotensin-converting enzyme 1

Data from ChEMBL 36 via Core Engine