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Compound Detail

CHEMBL2371229

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O=C(O)[C@H](CCc1ccccc1)NCC(=O)N1CCC[C@H]1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2371229
Phase Preclinical
Structure Type MOL
InChI Key SPHRAISRZKPIFQ-KBPBESRZSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

334.4
MW (Da)
0.74
ALogP
4
HBA
3
HBD
106.9
PSA (Ų)
0.65
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 C17H22N2O5
MW 334.37
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.26

Activity Summary

IC50 1 meas. best 6.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Angiotensin-converting enzyme
CHEMBL4074
 IC50 6.64 6.64 230.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Angiotensin-converting enzyme IC50 = 230.0 nM 6.64 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