Compound Detail
CHEMBL45125
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Basic Information
| ChEMBL ID | CHEMBL45125 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XBEXIUXENDSJOD-QZTJIDSGSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
305.5
MW (Da)
4.11
ALogP
3
HBA
0
HBD
12.5
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 4 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cavia porcellus CHEMBL369 | Kd | 7.92 | 7.61 | 12.0 | 3 |
| Rattus norvegicus CHEMBL376 | Kd | 7.35 | 7.35 | 44.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cavia porcellus | Kd | = | 12.02 | nM | 7.92 | Tested for antimuscarinic potency on guinea pig ileum | 3411599 |
| Cavia porcellus | Kd | = | 33.11 | nM | 7.48 | Tested for antimuscarinic potency on guinea pig heart force | 3411599 |
| Cavia porcellus | Kd | = | 37.15 | nM | 7.43 | Tested for antimuscarinic potency on guinea pig heart rate | 3411599 |
| Rattus norvegicus | Kd | = | 44.67 | nM | 7.35 | Tested for antimuscarinic potency on rat bladder | 3411599 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3411599 | 10.1021/jm00117a007 | Cavia porcellus | 3 |
| 3411599 | 10.1021/jm00117a007 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine