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Compound Detail

CHEMBL292165

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CCCCc1ncc(/C=C(\Cc2cccs2)C(=O)O)n1Cc1cccc(OC)c1

Basic Information

ChEMBL ID CHEMBL292165
Phase Preclinical
Structure Type MOL
InChI Key ULKDYEQKUVARHE-QGOAFFKASA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

410.5
MW (Da)
5.05
ALogP
5
HBA
1
HBD
64.3
PSA (Ų)
0.47
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 C23H26N2O3S
MW 410.54
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.03

Activity Summary

IC50 1 meas. best 6.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Angiotensin II receptor
CHEMBL2094112
IC50 6.75 6.75 180.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8515425 10.1021/jm00065a011 Angiotensin II receptor 3

Data from ChEMBL 36 via Core Engine