Compound Detail
CHEMBL3354066
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Basic Information
| ChEMBL ID | CHEMBL3354066 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QTQLWKLZSPZQTO-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
509.7
MW (Da)
4.50
ALogP
7
HBA
0
HBD
61.8
PSA (Ų)
0.44
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | Ki | 7.58 | 7.58 | 26.3 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 7.18 | 7.18 | 66.1 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 7.11 | 7.11 | 77.6 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 7.03 | 7.03 | 93.3 | 1 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | Ki | 6.99 | 6.99 | 102.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M4 | Ki | = | 26.3 | nM | 7.58 | Displacement of [3H]NMS from human M4 receptor expressed in CHO cells by micropl... | 25275964 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 66.07 | nM | 7.18 | Displacement of [3H]NMS from human M2 receptor expressed in CHO cells by micropl... | 25275964 |
| Muscarinic acetylcholine receptor M1 | Ki | = | 77.62 | nM | 7.11 | Displacement of [3H]NMS from human M1 receptor expressed in CHO cells by micropl... | 25275964 |
| Muscarinic acetylcholine receptor M3 | Ki | = | 93.33 | nM | 7.03 | Displacement of [3H]NMS from human M3 receptor expressed in CHO cells by micropl... | 25275964 |
| Muscarinic acetylcholine receptor M5 | Ki | = | 102.33 | nM | 6.99 | Displacement of [3H]NMS from human M5 receptor expressed in CHO cells by micropl... | 25275964 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25275964 | 10.1021/jm501173q | Muscarinic acetylcholine receptor M1 | 1 |
| 25275964 | 10.1021/jm501173q | Muscarinic acetylcholine receptor M2 | 1 |
| 25275964 | 10.1021/jm501173q | Muscarinic acetylcholine receptor M3 | 1 |
| 25275964 | 10.1021/jm501173q | Muscarinic acetylcholine receptor M4 | 1 |
| 25275964 | 10.1021/jm501173q | Muscarinic acetylcholine receptor M5 | 1 |
Data from ChEMBL 36 via Core Engine