Compound Detail
CHEMBL346049
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C[C@H](O)[C@H]1[C@@H](CO)C[C@H]2CCCC[C@@H]2[C@H]1/C=C/[C@H]1CCC[C@H](C)N1C
Basic Information
| ChEMBL ID | CHEMBL346049 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VPLZUHNLPZRDQE-RRAGSXFASA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
349.6
MW (Da)
3.85
ALogP
3
HBA
2
HBD
43.7
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 6.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 CHEMBL309 | Kd | 6.53 | 6.53 | 293.0 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Kd | 6.31 | 6.31 | 494.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 | Kd | = | 293.0 | nM | 6.53 | Binding affinity against M2 receptor in rat brainstem cells using radioligand [3... | - |
| Muscarinic acetylcholine receptor M1 | Kd | = | 494.0 | nM | 6.31 | Binding affinity against M1 receptor expressed in CHO-K1 cells transfected with ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(94)00459-S | Muscarinic acetylcholine receptor M1 | 1 |
| - | 10.1016/0960-894X(94)00459-S | Muscarinic acetylcholine receptor M2 | 1 |
| - | 10.1016/0960-894X(94)00459-S | Muscarinic acetylcholine receptors; M1 & M2 | 1 |
Data from ChEMBL 36 via Core Engine