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Compound Detail

CHEMBL423370

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Cc1cc(CCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2ccccc2n1

Basic Information

ChEMBL ID CHEMBL423370
Phase Preclinical
Structure Type MOL
InChI Key DGAUVFOPZGPEJU-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

391.5
MW (Da)
5.18
ALogP
4
HBA
1
HBD
67.3
PSA (Ų)
0.45
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H21N5
MW 391.48
Aromatic Rings 5
Heavy Atoms 30
NP-Likeness -0.76

Activity Summary

IC50 2 meas. best 6.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Type-1 angiotensin II receptor
CHEMBL1671613
IC50 6.57 6.57 270.0 1
Angiotensin II receptor
CHEMBL2094112
IC50 6.57 6.57 270.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
1433210 10.1021/jm00100a007 Type-1 angiotensin II receptor 1
7473594 10.1021/jm00023a006 Angiotensin II receptor 1

Data from ChEMBL 36 via Core Engine