Compound Detail
CHEMBL3401645
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Basic Information
| ChEMBL ID | CHEMBL3401645 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PSFULERNVNPNAD-IBGZPJMESA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
334.4
MW (Da)
2.11
ALogP
3
HBA
2
HBD
52.6
PSA (Ų)
0.88
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL216 | IC50 | 8.01 | 8.01 | 9.8 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | IC50 | 7.73 | 7.73 | 18.7 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | IC50 | 7.0 | 7.0 | 101.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | IC50 | = | 9.8 | nM | 8.01 | Displacement of [3H]NMS from human M1 receptor expressed in CHOK1 cell membranes... | 25800115 |
| Muscarinic acetylcholine receptor M3 | IC50 | = | 18.7 | nM | 7.73 | Displacement of [3H]NMS from human M3 receptor expressed in CHOK1 cell membranes... | 25800115 |
| Muscarinic acetylcholine receptor M2 | IC50 | = | 101.1 | nM | 7.0 | 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