Compound Detail
CHEMBL2448137
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Basic Information
| ChEMBL ID | CHEMBL2448137 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MRKYTIJPEALHEE-DTEJIXJUSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
321.8
MW (Da)
1.61
ALogP
4
HBA
2
HBD
67.6
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.41
Ki 1 meas. best 8.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 3A CHEMBL2411 | Ki | 8.41 | 8.41 | 3.9 | 1 |
| 5-hydroxytryptamine receptor 4 CHEMBL4317 | EC50 | 5.41 | 5.41 | 3870.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 3A | Ki | = | 3.9 | nM | 8.41 | Compound was evaluated in vivo for the antagonistic activity towards 5-hydroxytr... | - |
| 5-hydroxytryptamine receptor 4 | EC50 | = | 3870.0 | nM | 5.41 | Compound was evaluated for the agonistic activity towards 5-hydroxytryptamine 4 ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80441-2 | 5-hydroxytryptamine receptor 4 | 1 |
| - | 10.1016/S0960-894X(00)80441-2 | 5-hydroxytryptamine receptor 3A | 1 |
| - | 10.1016/S0960-894X(00)80441-2 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine