Compound Detail
CHEMBL85936
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Basic Information
| ChEMBL ID | CHEMBL85936 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CXODJKKXKWTUIZ-BUHFOSPRSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
246.3
MW (Da)
1.81
ALogP
4
HBA
0
HBD
24.8
PSA (Ų)
0.45
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor CHEMBL1907609 | IC50 | 7.87 | 6.75 | 13.5 | 2 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | IC50 | 5.79 | 5.79 | 1620.0 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | IC50 | 5.05 | 5.05 | 8900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor | IC50 | = | 13.5 | nM | 7.87 | Muscarinic acetylcholine receptor binding assay was conducted using [3H]cis-meth... | 9651157 |
| Muscarinic acetylcholine receptor M1 | IC50 | = | 1620.0 | nM | 5.79 | Binding affinity of [3H]-QNB to CHO cells expressing human Muscarinic acetylchol... | 9651157 |
| Muscarinic acetylcholine receptor | IC50 | = | 2330.0 | nM | 5.63 | Muscarinic acetylcholine receptor binding assay was conducted using [3H]quinucli... | 9651157 |
| Muscarinic acetylcholine receptor M2 | IC50 | = | 8900.0 | nM | 5.05 | Binding affinity of [3H]QNB to CHO cells expressing human Muscarinic acetylcholi... | 9651157 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9651157 | 10.1021/jm960683m | Muscarinic acetylcholine receptor | 3 |
| 9651157 | 10.1021/jm960683m | Muscarinic acetylcholine receptor M1 | 2 |
| 9651157 | 10.1021/jm960683m | Muscarinic acetylcholine receptor M2 | 1 |
| 9651157 | 10.1021/jm960683m | Muscarinic acetylcholine receptor M3 | 1 |
| 9651157 | 10.1021/jm960683m | Muscarinic acetylcholine receptor M5 | 1 |
| 9651157 | 10.1021/jm960683m | Muscarinic acetylcholine receptors; M1 & M2 | 1 |
Data from ChEMBL 36 via Core Engine