Compound Detail
CHEMBL101645
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Basic Information
| ChEMBL ID | CHEMBL101645 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MRTRSVIAPJHYNC-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
282.4
MW (Da)
2.45
ALogP
2
HBA
0
HBD
23.6
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 6.7
Ki 1 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor CHEMBL1907609 | Ki | 6.96 | 6.96 | 110.0 | 1 |
| Muscarinic acetylcholine receptor CHEMBL2094109 | Kd | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor | Ki | = | 110.0 | nM | 6.96 | Inhibition of [3H]N-methylscopolamine binding to muscarinic acetylcholine recept... | 1732545 |
| Muscarinic acetylcholine receptor | Kd | = | 200.0 | nM | 6.7 | Determination of dissociation constant from antimuscarinic activity on isolated ... | 1732545 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1732545 | 10.1021/jm00080a013 | Muscarinic acetylcholine receptor | 2 |
| 1732545 | 10.1021/jm00080a013 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine