Compound Detail
CHEMBL85999
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Basic Information
| ChEMBL ID | CHEMBL85999 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | REYLQISQFCAFLZ-KNTRCKAVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
315.4
MW (Da)
1.97
ALogP
4
HBA
1
HBD
53.9
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL276 | Ki | 4.52 | 4.52 | 30000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | Ki | = | 30000.0 | nM | 4.52 | Ability to displace [3H]- pirenzepine from M1 receptor in rat hippocampal membra... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00471-4 | Muscarinic acetylcholine receptor M1 | 2 |
| - | 10.1016/0960-894X(96)00471-4 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine