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Compound Detail

CHEMBL405525

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CCCC/C(=C\c1cnc(CCCC)n1Cc1ccccc1Cl)C(=O)O

Basic Information

ChEMBL ID CHEMBL405525
Phase Preclinical
Structure Type MOL
InChI Key QGXHHPALYOKVTB-DTQAZKPQSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

374.9
MW (Da)
5.59
ALogP
3
HBA
1
HBD
55.1
PSA (Ų)
0.55
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 C21H27ClN2O2
MW 374.91
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.56

Activity Summary

IC50 1 meas. best 5.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Angiotensin II receptor
CHEMBL2094112
IC50 5.16 5.16 6900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Angiotensin II receptor IC50 = 6900.0 nM 5.16 Inhibition of [125I]angiotensin II specific binding to rat mesenteric arteries 1433195

Literature References

PubMed DOI Target Context # Activities
1433195 10.1021/jm00099a013 Angiotensin II receptor 2

Data from ChEMBL 36 via Core Engine