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

CHEMBL26765

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
CCCCc1nc(Cl)c(COC)n1Cc1ccc(NC(=O)CC(C(=O)O)c2ccccc2)cc1

Basic Information

ChEMBL ID CHEMBL26765
Phase Preclinical
Structure Type MOL
InChI Key KCJUGIGXSYOOOU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

484.0
MW (Da)
5.27
ALogP
5
HBA
2
HBD
93.5
PSA (Ų)
0.37
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H30ClN3O4
MW 484.00
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.11

Activity Summary

IC50 1 meas. best 5.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Angiotensin II receptor
CHEMBL2094112
IC50 5.55 5.55 2800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Angiotensin II receptor IC50 = 2800.0 nM 5.55 Inhibitory concentration that gave 50 percent displacement of specific binding o... 2329553

Literature References

PubMed DOI Target Context # Activities
2329553 10.1021/jm00167a007 Angiotensin II receptor 1

Data from ChEMBL 36 via Core Engine