Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL342652

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CC(=O)N1CCCC1C(NC(C)C(=O)N1CCCC1C(=O)O)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL342652
Phase Preclinical
Structure Type MOL
InChI Key AGNPXYZDRLQCOR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

355.4
MW (Da)
-0.50
ALogP
5
HBA
3
HBD
127.2
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H25N3O6
MW 355.39
Aromatic Rings 0
Heavy Atoms 25
NP-Likeness -0.10

Activity Summary

IC50 1 meas. best 8.03

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Angiotensin-converting enzyme
CHEMBL1808
 IC50 8.03 8.03 9.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Angiotensin-converting enzyme IC50 = 9.4 nM 8.03 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