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

CHEMBL108606

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(C)CCC(NC(C)C(=O)N1CCCC1C(=O)O)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL108606
Phase Preclinical
Structure Type MOL
InChI Key AXVDQOXRBHQTCS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

314.4
MW (Da)
0.93
ALogP
4
HBA
3
HBD
106.9
PSA (Ų)
0.62
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 C15H26N2O5
MW 314.38
Aromatic Rings 0
Heavy Atoms 22
NP-Likeness -0.04

Activity Summary

IC50 1 meas. best 8.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Angiotensin-converting enzyme
CHEMBL1808
 IC50 8.1 8.1 7.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Angiotensin-converting enzyme IC50 = 7.943 nM 8.1 Inhibition of angiotensin I converting enzyme in silico 9379435

Literature References

PubMed DOI Target Context # Activities
9379435 10.1021/jm970211n Angiotensin-converting enzyme 1

Data from ChEMBL 36 via Core Engine