Compound Detail
CHEMBL54959
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Basic Information
| ChEMBL ID | CHEMBL54959 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ONBRIDNZTDJOBP-UHFFFAOYSA-N |
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
233.3
MW (Da)
1.80
ALogP
5
HBA
1
HBD
46.0
PSA (Ų)
0.64
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 | 4.5183 | 16100.0 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | EC50 | = | 16400.0 | nM | 4.79 | Concentration that produces 50% of the maximal response to compound in rat thora... | 8021927 |
| Rattus norvegicus | EC50 | = | 16100.0 | nM | 4.79 | Concentration that produces 50% of the maximal response to compound in rat thora... | 8021927 |
| Rattus norvegicus | EC50 | = | 17200.0 | nM | 4.76 | Concentration that produces 50% of the maximal response to compound in rat thora... | 8021927 |
| Rattus norvegicus | EC50 | = | 47000.0 | nM | 4.33 | Concentration that produces 50% of the maximal response to compound with phenoxy... | 8021927 |
| Rattus norvegicus | EC50 | = | 52100.0 | nM | 4.28 | Concentration that produces 50% of the maximal response to compound in rat thora... | 8021927 |
| Rattus norvegicus | EC50 | = | 69000.0 | nM | 4.16 | Concentration that produces 50% of the maximal response to compound without phen... | 8021927 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8021927 | 10.1021/jm00038a017 | Rattus norvegicus | 12 |
Data from ChEMBL 36 via Core Engine