Compound Detail
CHEMBL2377261
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Basic Information
| ChEMBL ID | CHEMBL2377261 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NHFIEMNGVIAFJO-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
355.5
MW (Da)
3.58
ALogP
4
HBA
1
HBD
49.8
PSA (Ų)
0.74
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 8.23 | 8.23 | 5.8 | 1 |
| Unchecked CHEMBL612545 | Ki | 7.48 | 7.48 | 33.3 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 7.23 | 7.23 | 59.0 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 6.01 | 6.01 | 971.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 | Ki | = | 5.85 | nM | 8.23 | Displacement of [3H] N-methylscopolamine from human muscarinic M2 receptor expre... | 23523385 |
| Unchecked | Ki | = | 33.3 | nM | 7.48 | Displacement of [3H] N-methylscopolamine from muscarinic acetylcholine receptor ... | 23523385 |
| Muscarinic acetylcholine receptor M3 | Ki | = | 59.0 | nM | 7.23 | Displacement of [3H] N-methylscopolamine from human muscarinic M3 receptor expre... | 23523385 |
| Muscarinic acetylcholine receptor M1 | Ki | = | 971.0 | nM | 6.01 | Displacement of [3H] N-methylscopolamine from human muscarinic M1 receptor expre... | 23523385 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23523385 | 10.1016/j.bmc.2013.01.072 | Muscarinic acetylcholine receptor M1 and M3 | 2 |
| 23523385 | 10.1016/j.bmc.2013.01.072 | Muscarinic acetylcholine receptor M3 | 1 |
| 23523385 | 10.1016/j.bmc.2013.01.072 | Muscarinic acetylcholine receptor M2 | 1 |
| 23523385 | 10.1016/j.bmc.2013.01.072 | Muscarinic acetylcholine receptor M1 | 1 |
| 23523385 | 10.1016/j.bmc.2013.01.072 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine