Compound Detail
CHEMBL311633
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Basic Information
| ChEMBL ID | CHEMBL311633 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LFNLACXWMKGBFZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
439.6
MW (Da)
4.84
ALogP
3
HBA
2
HBD
83.5
PSA (Ų)
0.44
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Oryctolagus cuniculus CHEMBL374 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 300.0 | nM | 6.52 | Inhibition of U-46619 (3x10E-8 M) induced contraction in rat thoracic aorta | 8464032 |
| Oryctolagus cuniculus | IC50 | = | 3000.0 | nM | 5.52 | Tested for the concentration that causes 50% relaxation when contraction in rabb... | 2144025 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2144025 | 10.1021/jm00171a004 | Oryctolagus cuniculus | 2 |
| 2144025 | 10.1021/jm00171a004 | Unchecked | 1 |
| 8464032 | 10.1021/jm00059a001 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine