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Compound Detail

CHEMBL148465

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CCSc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2noc(S)n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL148465
Phase Preclinical
Structure Type MOL
InChI Key NQGFEUFORZPPOB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

488.6
MW (Da)
5.90
ALogP
8
HBA
2
HBD
94.0
PSA (Ų)
0.22
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H20N4O3S2
MW 488.59
Aromatic Rings 5
Heavy Atoms 34
NP-Likeness -1.27

Activity Summary

IC50 1 meas. best 6.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 6.16 6.16 690.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 690.0 nM 6.16 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