Compound Detail
CHEMBL77793
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Basic Information
| ChEMBL ID | CHEMBL77793 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KWBBYHOSQKDRRU-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
217.3
MW (Da)
0.82
ALogP
3
HBA
0
HBD
38.1
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor CHEMBL1907609 | Ki | 9.52 | 8.97 | 0.3 | 2 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | Ki | 7.29 | 7.29 | 51.3 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 6.99 | 6.99 | 102.3 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 6.92 | 6.92 | 120.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor | Ki | = | 0.3 | nM | 9.52 | Binding affinity to muscarinic acetylcholine receptor was determined in presence... | 1875333 |
| Muscarinic acetylcholine receptor | Ki | = | 3.8 | nM | 8.42 | Binding affinity to muscarinic acetylcholine receptor was determined in presence... | 1875333 |
| Muscarinic acetylcholine receptor M5 | Ki | = | 51.29 | nM | 7.29 | Binding affinity to human cloned muscarinic M5 receptor expressed in CHO cells | 18182302 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 102.33 | nM | 6.99 | Binding affinity to human cloned muscarinic M2 receptor expressed in CHO cells | 18182302 |
| Muscarinic acetylcholine receptor M1 | Ki | = | 120.23 | nM | 6.92 | Binding affinity to human cloned muscarinic M1 receptor expressed in CHO cells | 18182302 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1875333 | 10.1021/jm00112a002 | Mus musculus | 6 |
| 1875333 | 10.1021/jm00112a002 | Muscarinic acetylcholine receptor | 3 |
| 18182302 | 10.1016/j.bmc.2007.12.036 | Muscarinic acetylcholine receptor M1 | 1 |
| 18182302 | 10.1016/j.bmc.2007.12.036 | Muscarinic acetylcholine receptor M2 | 1 |
| 18182302 | 10.1016/j.bmc.2007.12.036 | Muscarinic acetylcholine receptor M5 | 1 |
Data from ChEMBL 36 via Core Engine