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Compound Detail

CHEMBL342373

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CC(NC(C(=O)O)C1CCCN1C(=O)NCC(=O)O)C(=O)N1CCCC1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL342373
Phase Preclinical
Structure Type MOL
InChI Key UILSQVXVCCBDQF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

414.4
MW (Da)
-1.25
ALogP
6
HBA
5
HBD
176.6
PSA (Ų)
0.32
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 C17H26N4O8
MW 414.42
Aromatic Rings 0
Heavy Atoms 29
NP-Likeness -0.31

Activity Summary

IC50 1 meas. best 8.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Angiotensin-converting enzyme
CHEMBL1808
 IC50 8.22 8.22 6.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Angiotensin-converting enzyme IC50 = 6.0 nM 8.22 In vitro inhibitory activity against Angiotensin I converting enzyme 2984419

Literature References

PubMed DOI Target Context # Activities
2984419 10.1021/jm00382a008 Angiotensin-converting enzyme 1

Data from ChEMBL 36 via Core Engine