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Compound Detail

CHEMBL22391

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Cc1cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c(I)c(C)n1

Basic Information

ChEMBL ID CHEMBL22391
Phase Preclinical
Structure Type MOL
InChI Key GJZOSMHVDZVSHB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

483.3
MW (Da)
4.73
ALogP
5
HBA
1
HBD
76.6
PSA (Ų)
0.42
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18IN5O
MW 483.31
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.92

Activity Summary

IC50 1 meas. best 7.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Type-1 angiotensin II receptor
CHEMBL1671613
IC50 7.47 7.47 34.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8487261 10.1021/jm00061a016 Type-1 angiotensin II receptor 1
8487261 10.1021/jm00061a016 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine