Compound Detail
CHEMBL169456
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Basic Information
| ChEMBL ID | CHEMBL169456 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KQCMSCLMOFIYMI-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
206.3
MW (Da)
0.71
ALogP
2
HBA
0
HBD
23.6
PSA (Ų)
0.59
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 4.34
Ki 1 meas. best 4.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor CHEMBL1907609 | Ki | 4.74 | 4.74 | 18300.0 | 1 |
| Cavia porcellus CHEMBL369 | Kd | 4.34 | 4.34 | 45300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor | Ki | = | 18300.0 | nM | 4.74 | Compound was tested for the concentration that inhibited the specific binding of... | 2704032 |
| Cavia porcellus | Kd | = | 45300.0 | nM | 4.34 | Dissociation constant of the compound-receptor complex. | 2704032 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2704032 | 10.1021/jm00124a022 | Cavia porcellus | 2 |
| 2704032 | 10.1021/jm00124a022 | Mus musculus | 1 |
| 2704032 | 10.1021/jm00124a022 | Muscarinic acetylcholine receptor | 1 |
Data from ChEMBL 36 via Core Engine