Compound Detail
CHEMBL39109
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Basic Information
| ChEMBL ID | CHEMBL39109 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DEJOSVHOGKOYEO-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
298.4
MW (Da)
1.93
ALogP
4
HBA
1
HBD
50.2
PSA (Ų)
0.92
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor CHEMBL2094116 | Ki | 5.98 | 5.98 | 1047.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor | Ki | = | 1048.0 | nM | 5.98 | Inhibitory activity against 5-hydroxytryptamine 3 receptor in rat cortical membr... | 2258903 |
| Serotonin 3 (5-HT3) receptor | Ki | = | 1047.13 | nM | 5.98 | pKi value for inhibition of [3H]LY-278584 binding to 5-hydroxytryptamine 3 recep... | 2258903 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2258903 | 10.1021/jm00174a013 | Serotonin 3 (5-HT3) receptor | 2 |
| 3625701 | 10.1021/jm00392a001 | Serotonin 3 (5-HT3) receptor | 1 |
Data from ChEMBL 36 via Core Engine