Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL56160

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CCCCc1ncc(/C=C(\Cc2cccs2)C(=O)O)n1Cc1ccc(S(N)(=O)=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL56160
Phase Preclinical
Structure Type MOL
InChI Key UXRQPMNVDMTWAH-SFQUDFHCSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

459.6
MW (Da)
3.69
ALogP
6
HBA
2
HBD
115.3
PSA (Ų)
0.45
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H25N3O4S2
MW 459.59
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.22

Activity Summary

IC50 1 meas. best 8.35

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Angiotensin II receptor
CHEMBL2094112
 IC50 8.35 8.35 4.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Angiotensin II receptor IC50 = 4.5 nM 8.35 Inhibition of [125I]AII binding to Angiotensin II receptor, type 1 of rat mesent... 8515425

Literature References

PubMed DOI Target Context # Activities
8515425 10.1021/jm00065a011 Angiotensin II receptor 3

Data from ChEMBL 36 via Core Engine