Compound Detail
CHEMBL105945
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Basic Information
| ChEMBL ID | CHEMBL105945 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IBWCPVIKXQCSIK-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
392.5
MW (Da)
3.73
ALogP
6
HBA
0
HBD
52.9
PSA (Ų)
0.62
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | Ki | 6.72 | 6.72 | 190.6 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 6.4 | 6.4 | 398.1 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 6.38 | 6.38 | 416.9 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 5.93 | 5.93 | 1174.9 | 1 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | Ki | 5.44 | 5.44 | 3630.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M4 | Ki | = | 190.55 | nM | 6.72 | Inhibition of [3H]NMS binding to human muscarinic acetylcholine receptor M4 in t... | 12086495 |
| Muscarinic acetylcholine receptor M3 | Ki | = | 398.11 | nM | 6.4 | Inhibition of [3H]NMS binding to human muscarinic acetylcholine receptor M3 in t... | 12086495 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 416.87 | nM | 6.38 | Inhibition of [3H]-NMS binding to human muscarinic acetylcholine receptor M2 in ... | 12086495 |
| Muscarinic acetylcholine receptor M1 | Ki | = | 1174.9 | nM | 5.93 | Inhibition of [3H]NMS binding to human muscarinic acetylcholine receptor M1 in t... | 12086495 |
| Muscarinic acetylcholine receptor M5 | Ki | = | 3630.78 | nM | 5.44 | Inhibition of [3H]NMS binding to human muscarinic acetylcholine receptor M5 in t... | 12086495 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12086495 | 10.1021/jm011116o | Muscarinic acetylcholine receptor M1 | 1 |
| 12086495 | 10.1021/jm011116o | Muscarinic acetylcholine receptor M2 | 1 |
| 12086495 | 10.1021/jm011116o | Muscarinic acetylcholine receptor M3 | 1 |
| 12086495 | 10.1021/jm011116o | Muscarinic acetylcholine receptor M4 | 1 |
| 12086495 | 10.1021/jm011116o | Muscarinic acetylcholine receptor M5 | 1 |
Data from ChEMBL 36 via Core Engine