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Compound Detail

CHEMBL23006

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Cc1cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c(Cc2ccccc2)c(C)n1

Basic Information

ChEMBL ID CHEMBL23006
Phase Preclinical
Structure Type MOL
InChI Key WQPUSSFOHANZLH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

447.5
MW (Da)
5.72
ALogP
5
HBA
1
HBD
76.6
PSA (Ų)
0.35
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H25N5O
MW 447.54
Aromatic Rings 5
Heavy Atoms 34
NP-Likeness -0.65

Activity Summary

IC50 1 meas. best 7.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Type-1 angiotensin II receptor
CHEMBL1671613
IC50 7.85 7.85 14.0 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