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Compound Detail

CHEMBL70074

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CCCc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1

Basic Information

ChEMBL ID CHEMBL70074
Phase Preclinical
Structure Type MOL
InChI Key WRGYXZZSOWWPCK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

438.5
MW (Da)
4.58
ALogP
6
HBA
2
HBD
109.6
PSA (Ų)
0.38
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 C25H22N6O2
MW 438.49
Aromatic Rings 5
Heavy Atoms 33
NP-Likeness -1.09

Activity Summary

IC50 1 meas. best 6.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Type-1 angiotensin II receptor
CHEMBL3374
IC50 6.77 6.77 170.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8340921 10.1021/jm00067a016 Angiotensin II receptor 4
8340921 10.1021/jm00067a016 Type-1 angiotensin II receptor 1

Data from ChEMBL 36 via Core Engine