Compound Detail
CHEMBL89164
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CCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1ncccc1C(=O)NS(=O)(=O)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL89164 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VLRKGPMCQGOJHK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
553.6
MW (Da)
4.46
ALogP
8
HBA
2
HBD
133.8
PSA (Ų)
0.26
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 8.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor CHEMBL2094256 | Kd | 8.65 | 8.65 | 2.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor | Kd | = | 2.239 | nM | 8.65 | Potency to antagonize the ability of angiotensin II to contract rabbit aorta | 8410980 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8410980 | 10.1021/jm00070a012 | Angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine