Compound Detail
CHEMBL104332
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C=CCOC(=O)c1c(C)n(Cc2ccc(OC)cc2)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3
Basic Information
| ChEMBL ID | CHEMBL104332 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RAVGDLZWTLVAPH-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
524.6
MW (Da)
5.81
ALogP
7
HBA
0
HBD
62.2
PSA (Ų)
0.22
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | Ki | 7.14 | 7.14 | 72.4 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 6.7 | 6.7 | 199.5 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 6.62 | 6.62 | 239.9 | 1 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | Ki | 6.3 | 6.3 | 501.2 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 6.17 | 6.17 | 676.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M4 | Ki | = | 72.44 | nM | 7.14 | Inhibition of [3H]NMS binding to human muscarinic acetylcholine receptor M4 in t... | 12086495 |
| Muscarinic acetylcholine receptor M1 | Ki | = | 199.53 | nM | 6.7 | Inhibition of [3H]NMS binding to human muscarinic acetylcholine receptor M1 in t... | 12086495 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 239.88 | nM | 6.62 | Inhibition of [3H]-NMS binding to human muscarinic acetylcholine receptor M2 in ... | 12086495 |
| Muscarinic acetylcholine receptor M5 | Ki | = | 501.19 | nM | 6.3 | Inhibition of [3H]NMS binding to human muscarinic acetylcholine receptor M5 in t... | 12086495 |
| Muscarinic acetylcholine receptor M3 | Ki | = | 676.08 | nM | 6.17 | Inhibition of [3H]NMS binding to human muscarinic acetylcholine receptor M3 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