Compound Detail
CHEMBL169112
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Basic Information
| ChEMBL ID | CHEMBL169112 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XILMUBRJXDEOER-UHFFFAOYSA-M |
| Parent Compound | CHEMBL111327 |
| Active Moiety | CHEMBL111327 |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
209.3
MW (Da)
0.71
ALogP
1
HBA
0
HBD
20.3
PSA (Ų)
0.46
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.12
Ki 1 meas. best 5.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor CHEMBL1907609 | Ki | 5.21 | 5.21 | 6100.0 | 1 |
| Cavia porcellus CHEMBL369 | EC50 | 5.12 | 5.12 | 7500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor | Ki | = | 6100.0 | nM | 5.21 | Compound was tested for the concentration that inhibited the specific binding of... | 2704032 |
| Cavia porcellus | EC50 | = | 7500.0 | nM | 5.12 | In vitro effective concentration required to agonise oxotremorine-induced tremor... | 2704032 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2704032 | 10.1021/jm00124a022 | Cavia porcellus | 3 |
| 2704032 | 10.1021/jm00124a022 | Mus musculus | 1 |
| 2704032 | 10.1021/jm00124a022 | Muscarinic acetylcholine receptor | 1 |
Data from ChEMBL 36 via Core Engine