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Compound Detail

CHEMBL336056

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Cc1cc(/C=C/c2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2ccccc2n1

Basic Information

ChEMBL ID CHEMBL336056
Phase Preclinical
Structure Type MOL
InChI Key UVEACIMNWJCOEQ-NTCAYCPXSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

389.5
MW (Da)
5.56
ALogP
4
HBA
1
HBD
67.3
PSA (Ų)
0.44
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H19N5
MW 389.46
Aromatic Rings 5
Heavy Atoms 30
NP-Likeness -0.56

Activity Summary

IC50 1 meas. best 5.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Type-1 angiotensin II receptor
CHEMBL1671613
IC50 5.89 5.89 1300.0 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

Data from ChEMBL 36 via Core Engine