Compound Detail
CHEMBL41294
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Basic Information
| ChEMBL ID | CHEMBL41294 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MVKDKUUCCOPJSG-ZDUSSCGKSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
230.3
MW (Da)
1.51
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.72
Ki 1 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor CHEMBL2094116 | Ki | 5.72 | 5.72 | 1890.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.72 | 5.72 | 1900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 1900.0 | nM | 5.72 | Agonistic activity against Nicotinic acetylcholine receptor alpha-7 - 5-hydroxyt... | 15715459 |
| Serotonin 3 (5-HT3) receptor | Ki | = | 1890.0 | nM | 5.72 | Binding affinity at 5-hydroxytryptamine 3 receptor in rat entorhinal cortex by [... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80017-7 | Serotonin 3 (5-HT3) receptor | 1 |
| 15715459 | 10.1021/jm049363q | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine