Compound Detail
CHEMBL39455
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Basic Information
| ChEMBL ID | CHEMBL39455 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ICJNSKXWIYJRPS-HNNXBMFYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
288.4
MW (Da)
2.30
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.90
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor CHEMBL2094116 | Ki | 7.14 | 7.14 | 71.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor | Ki | = | 71.6 | nM | 7.14 | 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 |
Data from ChEMBL 36 via Core Engine