Compound Detail
CHEMBL55311
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Basic Information
| ChEMBL ID | CHEMBL55311 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MNXCMWUTGVRIFO-UHFFFAOYSA-N |
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
206.3
MW (Da)
2.53
ALogP
3
HBA
0
HBD
15.6
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 4.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | EC50 | 4.79 | 4.5867 | 16300.0 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | EC50 | = | 16300.0 | nM | 4.79 | Concentration that produces 50% of the maximal response to compound in rat thora... | 8021927 |
| Rattus norvegicus | EC50 | = | 16800.0 | nM | 4.78 | Concentration that produces 50% of the maximal response to compound in rat thora... | 8021927 |
| Rattus norvegicus | EC50 | = | 16900.0 | nM | 4.77 | Concentration that produces 50% of the maximal response to compound in rat thora... | 8021927 |
| Rattus norvegicus | EC50 | = | 33000.0 | nM | 4.48 | Concentration that produces 50% of the maximal response to compound with phenoxy... | 8021927 |
| Rattus norvegicus | EC50 | = | 41000.0 | nM | 4.39 | Concentration that produces 50% of the maximal response to compound without phen... | 8021927 |
| Rattus norvegicus | EC50 | = | 48500.0 | nM | 4.31 | Concentration that produces 50% of the maximal response to compound in rat thora... | 8021927 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8021927 | 10.1021/jm00038a017 | Rattus norvegicus | 12 |
Data from ChEMBL 36 via Core Engine