Compound Detail
CHEMBL2115097
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Basic Information
| ChEMBL ID | CHEMBL2115097 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JAXRVIXTMJVICB-QSARLWQPSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
264.3
MW (Da)
2.59
ALogP
5
HBA
2
HBD
80.1
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.0
Ki 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 8.0 | 7.0 | 10.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 10.0 | nM | 8.0 | Concentration required to cause 50% inhibition of spontaneous activity in rat po... | 1613756 |
| Rattus norvegicus | IC50 | = | 1000.0 | nM | 6.0 | 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 | 4 |
| 8336339 | 10.1021/jm00066a009 | Unchecked | 1 |
| 8336339 | 10.1021/jm00066a009 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine