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Compound Detail

CHEMBL520421

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CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(C(=O)NC2CCCCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL520421
Phase Preclinical
Structure Type MOL
InChI Key MJWCTZOPPOKAEA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

520.7
MW (Da)
5.89
ALogP
6
HBA
2
HBD
101.6
PSA (Ų)
0.38
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 C26H36N2O5S2
MW 520.72
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness -0.63

Activity Summary

Ki 1 meas. best 8.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Type-1 angiotensin II receptor
CHEMBL5743
 Ki 8.19 8.19 6.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Type-1 angiotensin II receptor Ki = 6.4 nM 8.19 Displacement of [125]Ang2 from AT2 receptor in pig uterus membrane 18599297

Literature References

PubMed DOI Target Context # Activities
18599297 10.1016/j.bmc.2008.05.066 Type-1 angiotensin II receptor A 1
18599297 10.1016/j.bmc.2008.05.066 Type-1 angiotensin II receptor 1

Data from ChEMBL 36 via Core Engine