Compound Detail
CHEMBL3401642
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Basic Information
| ChEMBL ID | CHEMBL3401642 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MDSAFGBQDVEKGD-ZDUSSCGKSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
332.5
MW (Da)
3.15
ALogP
4
HBA
1
HBD
32.3
PSA (Ų)
0.93
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL216 | IC50 | 7.46 | 7.46 | 34.8 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | IC50 | 6.64 | 6.64 | 229.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | IC50 | = | 34.8 | nM | 7.46 | Displacement of [3H]NMS from human M1 receptor expressed in CHOK1 cell membranes... | 25800115 |
| Muscarinic acetylcholine receptor M3 | IC50 | = | 110.0 | nM | 6.96 | Displacement of [3H]NMS from human M3 receptor expressed in CHOK1 cell membranes... | 25800115 |
| Muscarinic acetylcholine receptor M2 | IC50 | = | 229.6 | nM | 6.64 | Displacement of [3H]NMS from human M2 receptor expressed in CHOK1 cell membranes... | 25800115 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25800115 | 10.1016/j.bmcl.2015.02.065 | Unchecked | 2 |
| 25800115 | 10.1016/j.bmcl.2015.02.065 | Muscarinic acetylcholine receptor M1 | 1 |
| 25800115 | 10.1016/j.bmcl.2015.02.065 | Muscarinic acetylcholine receptor M2 | 1 |
| 25800115 | 10.1016/j.bmcl.2015.02.065 | Muscarinic acetylcholine receptor M3 | 1 |
Data from ChEMBL 36 via Core Engine