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Compound Detail

CHEMBL24364

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CCCCc1nc(Cl)c(COC)n1Cc1ccc(NC(=O)c2ccccc2C(=O)O)cc1

Basic Information

ChEMBL ID CHEMBL24364
Phase Preclinical
Structure Type MOL
InChI Key ZUCWYECYVQNMLY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

455.9
MW (Da)
5.02
ALogP
5
HBA
2
HBD
93.5
PSA (Ų)
0.45
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H26ClN3O4
MW 455.94
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.20

Activity Summary

IC50 1 meas. best 6.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Angiotensin II receptor
CHEMBL2094112
IC50 6.55 6.55 280.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
2329553 10.1021/jm00167a007 Angiotensin II receptor 1

Data from ChEMBL 36 via Core Engine