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

CHEMBL115946

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
CCCc1nc(CO)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL115946
Phase Preclinical
Structure Type MOL
InChI Key WRNMBIWGZCGICC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

418.5
MW (Da)
2.92
ALogP
7
HBA
3
HBD
129.8
PSA (Ų)
0.40
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 C22H22N6O3
MW 418.46
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.94

Activity Summary

IC50 1 meas. best 8.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Type-1 angiotensin II receptor
CHEMBL3374
 IC50 8.16 8.16 6.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Type-1 angiotensin II receptor IC50 = 6.9 nM 8.16 In vitro for inhibition of [125I]-angiotensin II (0.1 nM) binding to angiotensin... 8568823

Literature References

PubMed DOI Target Context # Activities
8568823 10.1021/jm950450f Rattus norvegicus 3
8568823 10.1021/jm950450f Type-1 angiotensin II receptor 1
8568823 10.1021/jm950450f Angiotensin II receptor 1

Data from ChEMBL 36 via Core Engine