Compound Detail
CHEMBL2114147
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Basic Information
| ChEMBL ID | CHEMBL2114147 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CDONENYHRNSTMQ-QQMDNXKGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
294.4
MW (Da)
2.60
ALogP
6
HBA
2
HBD
89.3
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 5.8 | 5.8 | 1584.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 1584.89 | nM | 5.8 | Concentration required to cause 50% inhibition of spontaneous activity in rat po... | 1613756 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1613756 | 10.1021/jm00090a025 | Rattus norvegicus | 2 |
Data from ChEMBL 36 via Core Engine