Compound Detail
CHEMBL53965
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CC(C)NC(=O)c1ccc(CC2CCN(C3CCN(C(=O)c4cccc5[nH]cnc45)CC3)CC2)cc1
Basic Information
| ChEMBL ID | CHEMBL53965 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SJAZZRHNMWEHRA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
487.6
MW (Da)
4.26
ALogP
4
HBA
2
HBD
81.3
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 7.57 | 7.57 | 27.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 | Ki | = | 27.0 | nM | 7.57 | Binding affinity against cloned human muscarinic acetylcholine receptor M2. | 15026073 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15026073 | 10.1016/j.bmcl.2004.01.033 | Muscarinic acetylcholine receptor M2 | 1 |
| 15026073 | 10.1016/j.bmcl.2004.01.033 | Muscarinic acetylcholine receptors; M1 & M2 | 1 |
| 15026073 | 10.1016/j.bmcl.2004.01.033 | Muscarinic acetylcholine receptors; M2 & M3 | 1 |
| 15026073 | 10.1016/j.bmcl.2004.01.033 | Muscarinic acetylcholine receptor M2 and M4 | 1 |
| 15026073 | 10.1016/j.bmcl.2004.01.033 | Muscarinic acetylcholine receptor M2 and M5 | 1 |
Data from ChEMBL 36 via Core Engine