Compound Detail
CHEMBL3084647
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CCCCCCOC(=O)C(C(=O)O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N+]2(C)C)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL3084647 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YZSQAUILEKBORC-QPGALQHGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
416.5
MW (Da)
3.19
ALogP
5
HBA
0
HBD
65.1
PSA (Ų)
0.20
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.33 | 7.33 | 46.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 46.77 | nM | 7.33 | Antagonist activity at muscarinic receptor | 19419864 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19419864 | 10.1016/j.bmcl.2009.03.164 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine