Compound Detail
CHEMBL82451
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Basic Information
| ChEMBL ID | CHEMBL82451 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PVRLZVMVEMVTTG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
219.3
MW (Da)
0.59
ALogP
4
HBA
0
HBD
46.6
PSA (Ų)
0.64
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor CHEMBL1907609 | Ki | 5.66 | 5.66 | 2200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor | Ki | = | 2200.0 | nM | 5.66 | The binding affinity was measured as inhibition of binding of [3H]- oxotremorine... | 10891110 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10891110 | 10.1021/jm9904001 | Muscarinic acetylcholine receptor | 2 |
| 10891110 | 10.1021/jm9904001 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine