Compound Detail
CHEMBL50968
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Basic Information
| ChEMBL ID | CHEMBL50968 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JCURCMHAMKXNII-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
312.3
MW (Da)
3.98
ALogP
2
HBA
2
HBD
60.2
PSA (Ų)
0.38
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 4.06 | 4.06 | 88000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 88000.0 | nM | 4.06 | In vitro ability to relax phenylephrine contracted rat aorta rings | 11425552 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11425552 | 10.1016/s0960-894x(01)00297-9 | Beta-TC6 | 2 |
| 11425552 | 10.1016/s0960-894x(01)00297-9 | Rattus norvegicus | 1 |
| 11425552 | 10.1016/s0960-894x(01)00297-9 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine