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Compound Detail

CHEMBL351966

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CC(CC(=O)NO)C(=O)N1CCC[C@H]1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL351966
Phase Preclinical
Structure Type MOL
InChI Key XLCLXNXTEYBZGH-MLWJPKLSSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

244.2
MW (Da)
-0.41
ALogP
4
HBA
3
HBD
106.9
PSA (Ų)
0.46
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H16N2O5
MW 244.25
Aromatic Rings 0
Heavy Atoms 17
NP-Likeness 0.08

Activity Summary

IC50 1 meas. best 6.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Angiotensin-converting enzyme
CHEMBL2625
 IC50 6.22 6.22 600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Angiotensin-converting enzyme IC50 = 600.0 nM 6.22 In vitro inhibitory activity against rat serum angiotensin I converting enzyme u... 8459398

Literature References

PubMed DOI Target Context # Activities
8459398 10.1021/jm00058a006 Angiotensin-converting enzyme 1

Data from ChEMBL 36 via Core Engine