Compound Detail
CHEMBL1788224
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Basic Information
| ChEMBL ID | CHEMBL1788224 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JNDOCQKNQCJTBA-ZDUSSCGKSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
220.3
MW (Da)
1.10
ALogP
2
HBA
0
HBD
23.6
PSA (Ų)
0.62
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 5.94
Ki 1 meas. best 6.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 6.39 | 6.39 | 410.0 | 1 |
| Muscarinic acetylcholine receptor CHEMBL2094109 | Kd | 5.94 | 5.94 | 1160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 410.0 | nM | 6.39 | Inhibition of specific binding of [3H]NMS to Muscarinic acetylcholine receptor i... | 2258904 |
| Muscarinic acetylcholine receptor | Kd | = | 1160.0 | nM | 5.94 | Dissociation constant towards Muscarinic acetylcholine receptor in guinea pig il... | 2258904 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2258904 | 10.1021/jm00174a014 | Cavia porcellus | 2 |
| 2258904 | 10.1021/jm00174a014 | Muscarinic acetylcholine receptor | 1 |
| 2258904 | 10.1021/jm00174a014 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine