Compound Detail
CHEMBL135797
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Basic Information
| ChEMBL ID | CHEMBL135797 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CNVFCNLHYXFMLI-JXMROGBWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
463.5
MW (Da)
2.99
ALogP
8
HBA
1
HBD
103.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 8.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | Kd | 8.66 | 8.66 | 2.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | Kd | = | 2.188 | nM | 8.66 | Compound was tested for alpha-adrenoceptor blocking activity by its ability to a... | 6131135 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6131135 | 10.1021/jm00357a016 | Rattus norvegicus | 28 |
| 6131135 | 10.1021/jm00357a016 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine