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Compound Detail

CHEMBL358916

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COc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2nsc(O)n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL358916
Phase Preclinical
Structure Type MOL
InChI Key CKNZYRWFWBKRDS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

458.5
MW (Da)
4.68
ALogP
8
HBA
2
HBD
110.4
PSA (Ų)
0.38
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H18N4O4S
MW 458.50
Aromatic Rings 5
Heavy Atoms 33
NP-Likeness -0.73

Activity Summary

IC50 1 meas. best 6.44

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 6.44 6.44 360.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 360.0 nM 6.44 Inhibition of specific binding of [125I]angiotensin II (0.2 nM) to angiotensin I... 8978851

Literature References

PubMed DOI Target Context # Activities
8978851 10.1021/jm960547h Angiotensin II receptor 2
8978851 10.1021/jm960547h Unchecked 1

Data from ChEMBL 36 via Core Engine