Compound Detail
CHEMBL362864
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C[C@@H]1OC(=O)[C@H]2C=C3CCCC[C@@H]3/C(=C/CC3CCC(C)(C)[N+]3(C)C)[C@@H]12.[I-]
Basic Information
| ChEMBL ID | CHEMBL362864 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KJGIAACRTBYXKU-JMBQTZDVSA-M |
| Parent Compound | CHEMBL1184654 |
| Active Moiety | CHEMBL1184654 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
358.6
MW (Da)
4.63
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.41
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 6.35 | 6.35 | 446.0 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 6.24 | 6.24 | 571.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | Ki | = | 446.0 | nM | 6.35 | In vitro inhibitory activity against cloned human M1 muscarinic receptor | 15225708 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 571.0 | nM | 6.24 | In vitro inhibitory activity against cloned human M2 muscarinic receptor | 15225708 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15225708 | 10.1016/j.bmcl.2004.05.047 | Muscarinic acetylcholine receptor M2 | 1 |
| 15225708 | 10.1016/j.bmcl.2004.05.047 | Muscarinic acetylcholine receptor M1 | 1 |
Data from ChEMBL 36 via Core Engine