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Compound Detail

CHEMBL190811

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CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2cnc3cccnc32)cc1

Basic Information

ChEMBL ID CHEMBL190811
Phase Preclinical
Structure Type MOL
InChI Key BCQUNHBYUCGDMW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

526.7
MW (Da)
5.62
ALogP
8
HBA
1
HBD
103.2
PSA (Ų)
0.27
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H30N4O4S2
MW 526.68
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -0.87

Activity Summary

Ki 1 meas. best 8.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Type-2 angiotensin II receptor
CHEMBL4607
Ki 8.15 8.15 7.1 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15537354 10.1021/jm049715t Angiotensin II receptor (AT-1) type-1 1
15537354 10.1021/jm049715t Type-2 angiotensin II receptor 1
15537354 10.1021/jm049715t Unchecked 1

Data from ChEMBL 36 via Core Engine