Compound Detail
CHEMBL431395
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Basic Information
| ChEMBL ID | CHEMBL431395 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QCSLBRNJOFUUJQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
286.2
MW (Da)
2.73
ALogP
4
HBA
1
HBD
59.1
PSA (Ų)
0.92
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | EC50 | 6.19 | 6.19 | 640.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | EC50 | = | 640.0 | nM | 6.19 | Inhibitory activity on acetylcholine-induced vasorelaxation of phenylephrine-pre... | 10498190 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10498190 | 10.1016/s0960-894x(99)00411-4 | Rattus norvegicus | 2 |
Data from ChEMBL 36 via Core Engine