Compound Detail
CHEMBL3084345
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C[S+]([O-])COC(=O)C(O[C@H]1C[C@H]2CC[C@@H](C1)[N+]2(C)C)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL3084345 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RFZTVCJNFBZSFS-LENVKJFFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
366.5
MW (Da)
2.39
ALogP
4
HBA
0
HBD
58.6
PSA (Ų)
0.44
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.25 | 7.25 | 56.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 56.23 | nM | 7.25 | 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