Compound Detail
CHEMBL360154
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CCN1C(C/C=C2\[C@H]3[C@H](C)OC(=O)[C@H]3C=C3CCCC[C@@H]32)CCC1(C)C
Basic Information
| ChEMBL ID | CHEMBL360154 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JBKSSZSHKBVHIR-LHJMAQDZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
357.5
MW (Da)
4.87
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 6.19 | 6.19 | 640.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | Ki | = | 640.0 | nM | 6.19 | In vitro inhibitory activity against cloned human M1 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