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

CHEMBL343439

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
CCCCc1nccc(=O)n1Cc1ccc(-c2ccccc2C(=O)O)cc1

Basic Information

ChEMBL ID CHEMBL343439
Phase Preclinical
Structure Type MOL
InChI Key PJZBQLZAHUCUQQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

362.4
MW (Da)
4.00
ALogP
4
HBA
1
HBD
72.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22N2O3
MW 362.43
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.82

Activity Summary

Ki 1 meas. best 5.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Angiotensin II receptor (AT-1) type-1
CHEMBL2094250
Ki 5.96 5.96 1097.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
7490730 10.1021/jm00024a008 Angiotensin II receptor (AT-1) type-1 1
7490730 10.1021/jm00024a008 Type-1 angiotensin II receptor 1
7490730 10.1021/jm00024a008 Angiotensin II receptor 1
7490730 10.1021/jm00024a008 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine