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Compound Detail

CHEMBL293706

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CCCCc1ncc(/C=C(\Cc2cccs2)C(=O)O)n1Cc1ccc(C(=O)OC)cc1

Basic Information

ChEMBL ID CHEMBL293706
Phase Preclinical
Structure Type MOL
InChI Key VLBXGWVMDLCSAY-CPNJWEJPSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

438.6
MW (Da)
4.83
ALogP
6
HBA
1
HBD
81.4
PSA (Ų)
0.36
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H26N2O4S
MW 438.55
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.85

Activity Summary

IC50 1 meas. best 7.41

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Angiotensin II receptor
CHEMBL2094112
IC50 7.41 7.41 39.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8515425 10.1021/jm00065a011 Angiotensin II receptor 2

Data from ChEMBL 36 via Core Engine