Compound Detail
CHEMBL3309718
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Basic Information
| ChEMBL ID | CHEMBL3309718 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IESOTRJGGBRBNI-DDWIOCJRSA-M |
| Parent Compound | CHEMBL3558072 |
| Active Moiety | CHEMBL3558072 |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
160.2
MW (Da)
0.11
ALogP
2
HBA
0
HBD
18.5
PSA (Ų)
0.53
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 5.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 5.76 | 5.76 | 1737.8 | 1 |
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | Ki | 4.68 | 4.68 | 20893.0 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 4.57 | 4.57 | 26915.3 | 1 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | Ki | 4.38 | 4.38 | 41686.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 | Ki | = | 1737.8 | nM | 5.76 | Displacement of [3H]NMS from human muscarinic M2 receptor transfected in CHO cel... | 24980056 |
| Muscarinic acetylcholine receptor M4 | Ki | = | 20892.96 | nM | 4.68 | Displacement of [3H]NMS from human muscarinic M4 receptor transfected in CHO cel... | 24980056 |
| Muscarinic acetylcholine receptor M3 | Ki | = | 26915.35 | nM | 4.57 | Displacement of [3H]NMS from human muscarinic M3 receptor transfected in CHO cel... | 24980056 |
| Muscarinic acetylcholine receptor M5 | Ki | = | 41686.94 | nM | 4.38 | Displacement of [3H]NMS from human muscarinic M5 receptor transfected in CHO cel... | 24980056 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24980056 | 10.1016/j.bmcl.2014.06.020 | Unchecked | 8 |
| 24980056 | 10.1016/j.bmcl.2014.06.020 | Muscarinic acetylcholine receptor M5 | 1 |
| 24980056 | 10.1016/j.bmcl.2014.06.020 | Muscarinic acetylcholine receptor M3 | 1 |
| 24980056 | 10.1016/j.bmcl.2014.06.020 | Muscarinic acetylcholine receptor M4 | 1 |
| 24980056 | 10.1016/j.bmcl.2014.06.020 | Muscarinic acetylcholine receptor M2 | 1 |
| 24980056 | 10.1016/j.bmcl.2014.06.020 | Muscarinic acetylcholine receptor M1 | 1 |
Data from ChEMBL 36 via Core Engine