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Compound Detail

CHEMBL69154

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CCc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1

Basic Information

ChEMBL ID CHEMBL69154
Phase Preclinical
Structure Type MOL
InChI Key LBFIPUDXMOHGLM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

424.5
MW (Da)
4.19
ALogP
6
HBA
2
HBD
109.6
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H20N6O2
MW 424.46
Aromatic Rings 5
Heavy Atoms 32
NP-Likeness -1.14

Activity Summary

IC50 1 meas. best 7.34

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Type-1 angiotensin II receptor
CHEMBL3374
IC50 7.34 7.34 46.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8340921 10.1021/jm00067a016 Angiotensin II receptor 3
8340921 10.1021/jm00067a016 Type-1 angiotensin II receptor 1
8340921 10.1021/jm00067a016 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine