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Compound Detail

CHEMBL57677

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CCCc1ncc(/C=C(\Cc2cccs2)C(=O)O)n1Cc1ccccc1Cl

Basic Information

ChEMBL ID CHEMBL57677
Phase Preclinical
Structure Type MOL
InChI Key AZKSTOOMQRNFGP-LFIBNONCSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

400.9
MW (Da)
5.31
ALogP
4
HBA
1
HBD
55.1
PSA (Ų)
0.52
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21ClN2O2S
MW 400.93
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.33

Activity Summary

IC50 1 meas. best 6.9

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Angiotensin II receptor
CHEMBL2094112
IC50 6.9 6.9 127.0 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