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Compound Detail

CHEMBL71550

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C=CCOc1nc2cccc(C(=O)OC)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1

Basic Information

ChEMBL ID CHEMBL71550
Phase Preclinical
Structure Type MOL
InChI Key WNVYCORBTMOUJU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

466.5
MW (Da)
4.28
ALogP
8
HBA
1
HBD
107.8
PSA (Ų)
0.27
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 C26H22N6O3
MW 466.50
Aromatic Rings 5
Heavy Atoms 35
NP-Likeness -0.84

Activity Summary

IC50 1 meas. best 6.07

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Type-1 angiotensin II receptor
CHEMBL3374
IC50 6.07 6.07 850.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8340921 10.1021/jm00067a016 Angiotensin II receptor 2
8340921 10.1021/jm00067a016 Type-1 angiotensin II receptor 1

Data from ChEMBL 36 via Core Engine