Compound Detail
CHEMBL32111
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Basic Information
| ChEMBL ID | CHEMBL32111 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XWCFBKQZEWEFOD-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
268.3
MW (Da)
1.19
ALogP
5
HBA
2
HBD
83.5
PSA (Ų)
0.84
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 5.36 | 5.36 | 4400.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 4400.0 | nM | 5.36 | Concentration required for relaxation of the 30 mM KCl-induced contraction of ra... | 15887958 |
| Rattus norvegicus | IC50 | = | 4400.0 | nM | 5.36 | Concentration required for relaxation of the 30 mM KCl-induced contraction of ra... | 15887958 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15887958 | 10.1021/jm0311339 | Rattus norvegicus | 12 |
| 8632417 | 10.1021/jm9500582 | Rattus norvegicus | 5 |
| 8230110 | 10.1021/jm00073a025 | Rattus norvegicus | 5 |
| 11472211 | 10.1021/jm0004648 | Rattus norvegicus | 4 |
| 10780901 | 10.1021/jm991069o | Rattus norvegicus | 3 |
| 9685234 | 10.1021/jm970694v | Glutamate receptor ionotropic, AMPA | 2 |
| 11472211 | 10.1021/jm0004648 | Cavia porcellus | 1 |
| 10780901 | 10.1021/jm991069o | Cavia porcellus | 1 |
| 9685234 | 10.1021/jm970694v | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine