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

CHEMBL2283573

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
CCCCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cc2c(C(=O)O)cnn2CCCC)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2283573
Phase Preclinical
Structure Type MOL
InChI Key LQDAYIDUNOCDSW-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

513.6
MW (Da)
4.85
ALogP
7
HBA
2
HBD
127.6
PSA (Ų)
0.33
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H31N3O6S
MW 513.62
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -0.88

Activity Summary

IC50 2 meas. best 7.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Angiotensin II receptor (AT-1) type-1
CHEMBL2094250
 IC50 7.89 7.705 13.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Angiotensin II receptor (AT-1) type-1 IC50 = 13.0 nM 7.89 Antagonist activity at AT1 receptor in Rattus norvegicus (rat) liver -
Angiotensin II receptor (AT-1) type-1 IC50 = 30.06 nM 7.52 Antagonist activity at AT1 receptor in Rattus norvegicus (rat) liver -

Literature References

PubMed DOI Target Context # Activities
- 10.1007/s00044-012-0206-8 Angiotensin II receptor (AT-1) type-1 2

Data from ChEMBL 36 via Core Engine