Compound Detail
CHEMBL38582
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Basic Information
| ChEMBL ID | CHEMBL38582 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PCQJPTSZYKYPDE-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
284.4
MW (Da)
1.92
ALogP
3
HBA
2
HBD
61.0
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor CHEMBL2094116 | Ki | 8.37 | 8.37 | 4.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor | Ki | = | 4.26 | nM | 8.37 | Inhibitory activity against 5-hydroxytryptamine 3 receptor in rat cortical membr... | 2258903 |
| Serotonin 3 (5-HT3) receptor | Ki | = | 4.266 | nM | 8.37 | pKi value for inhibition of [3H]LY-278584 binding to 5-hydroxytryptamine 3 recep... | 2258903 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3625701 | 10.1021/jm00392a001 | Serotonin 3 (5-HT3) receptor | 3 |
| 2258903 | 10.1021/jm00174a013 | Serotonin 3 (5-HT3) receptor | 2 |
| 9599243 | 10.1021/jm970857f | 5-hydroxytryptamine receptor 4 | 1 |
| - | 10.1016/S0960-894X(00)80160-2 | Serotonin 4 (5-HT4) receptor | 1 |
| - | 10.1016/S0960-894X(00)80160-2 | Serotonin 3 (5-HT3) receptor | 1 |
| 2362270 | 10.1021/jm00169a016 | Serotonin 3 (5-HT3) receptor | 1 |
Data from ChEMBL 36 via Core Engine