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

CHEMBL366727

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
O=C(NC(Cc1ccccc1)/C(CCC(=O)N1CCC[C@H]1C(=O)O)=N/O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL366727
Phase Preclinical
Structure Type MOL
InChI Key PNJGXGZUEYIKJG-IKXRKXCTSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

437.5
MW (Da)
2.71
ALogP
5
HBA
3
HBD
119.3
PSA (Ų)
0.32
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H27N3O5
MW 437.50
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -0.46

Activity Summary

IC50 1 meas. best 5.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Angiotensin-converting enzyme
CHEMBL1808
 IC50 5.92 5.92 1200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Angiotensin-converting enzyme IC50 = 1200.0 nM 5.92 Concentration required to inhibit the activity of Angiotensin I converting enzym... 6173481

Literature References

PubMed DOI Target Context # Activities
6173481 10.1021/jm00140a010 Angiotensin-converting enzyme 1

Data from ChEMBL 36 via Core Engine