Compound Detail
CHEMBL142687
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Basic Information
| ChEMBL ID | CHEMBL142687 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DNQOMGGYJRBLOX-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
337.8
MW (Da)
1.75
ALogP
6
HBA
2
HBD
84.1
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 8.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor CHEMBL2094132 | Kd | 8.9 | 8.3 | 1.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor | Kd | = | 1.259 | nM | 8.9 | Antagonistic activity against Serotonin 5-hydroxytryptamine 3 receptor in isolat... | - |
| Serotonin 3 (5-HT3) receptor | Kd | = | 19.95 | nM | 7.7 | Antagonistic activity against Serotonin 5-hydroxytryptamine 3 receptor of isolat... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80170-5 | Serotonin 3 (5-HT3) receptor | 2 |
| - | 10.1016/S0960-894X(00)80170-5 | 5-hydroxytryptamine receptor 4 | 2 |
Data from ChEMBL 36 via Core Engine