Compound Detail
CHEMBL258907
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Basic Information
| ChEMBL ID | CHEMBL258907 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QHGCBDFMJKJBOZ-IVZWLZJFSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
202.3
MW (Da)
1.70
ALogP
2
HBA
0
HBD
9.2
PSA (Ų)
0.60
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 5.85 | 5.85 | 1412.5 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 5.23 | 5.23 | 5888.4 | 1 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | Ki | 4.97 | 4.97 | 10715.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 | Ki | = | 1412.54 | nM | 5.85 | Binding affinity to human cloned muscarinic M2 receptor expressed in CHO cells | 18182302 |
| Muscarinic acetylcholine receptor M1 | Ki | = | 5888.44 | nM | 5.23 | Binding affinity to human cloned muscarinic M1 receptor expressed in CHO cells | 18182302 |
| Muscarinic acetylcholine receptor M5 | Ki | = | 10715.19 | nM | 4.97 | Binding affinity to human cloned muscarinic M5 receptor expressed in CHO cells | 18182302 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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