Compound Detail
CHEMBL153581
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CCCCn1nc(C)c(C(=O)O)c1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)OCC(C)C)cc1
Basic Information
| ChEMBL ID | CHEMBL153581 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DXIQHGDRIGAWMT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
527.6
MW (Da)
5.02
ALogP
7
HBA
2
HBD
127.6
PSA (Ų)
0.36
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor (AT-1) type-1 CHEMBL2094250 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor (AT-1) type-1 | IC50 | = | 30.0 | nM | 7.52 | In vitro binding affinity for rat liver angiotensin II receptor type 1, determin... | 9046346 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9046346 | 10.1021/jm9604383 | Rattus norvegicus | 2 |
| 9046346 | 10.1021/jm9604383 | Angiotensin II receptor (AT-1) type-1 | 1 |
Data from ChEMBL 36 via Core Engine