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Compound Detail

CHEMBL149239

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CCOc1nc2cccc(C(=O)OC)c2n1Cc1ccc(-c2ccccc2C2=NOS(=O)N2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL149239
Phase Preclinical
Structure Type MOL
InChI Key HWXFEIHVCBECJM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

490.5
MW (Da)
3.80
ALogP
8
HBA
1
HBD
104.0
PSA (Ų)
0.40
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H22N4O5S
MW 490.54
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -0.58

Activity Summary

IC50 1 meas. best 6.34

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 6.34 6.34 460.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 460.0 nM 6.34 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 Unchecked 1
8978851 10.1021/jm960547h Angiotensin II receptor 1
8978851 10.1021/jm960547h Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine