Compound Detail
CHEMBL19006
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Basic Information
| ChEMBL ID | CHEMBL19006 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZSVQUSFCJUITKQ-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
304.8
MW (Da)
2.04
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 4 meas. best 9.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor CHEMBL2094116 | Ki | 9.54 | 9.54 | 0.3 | 2 |
| 5-hydroxytryptamine receptor 4 CHEMBL4317 | Ki | 6.78 | 6.78 | 168.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor | Ki | = | 0.29 | nM | 9.54 | In vitro affinity at serotonergic 5-hydroxytryptamine 3 receptor by radioligand ... | 10585211 |
| Serotonin 3 (5-HT3) receptor | Ki | = | 0.29 | nM | 9.54 | In vitro displacement of [3H]-LY 278584 from rat cerebral cortex 5-hydroxytrypta... | - |
| 5-hydroxytryptamine receptor 4 | Ki | = | 168.0 | nM | 6.78 | In vitro affinity at serotonergic 5-hydroxytryptamine 4 receptor by radioligand ... | 10585211 |
| 5-hydroxytryptamine receptor 4 | Ki | = | 168.0 | nM | 6.78 | Displacement of [3H]GR-113808 from rat striatum 5-hydroxytryptamine 4 receptor | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10585211 | 10.1021/jm991076c | Serotonin 3 (5-HT3) receptor | 1 |
| 10585211 | 10.1021/jm991076c | 5-hydroxytryptamine receptor 4 | 1 |
| - | 10.1016/0960-894X(96)00200-4 | Serotonin 3 (5-HT3) receptor | 1 |
| - | 10.1016/0960-894X(96)00200-4 | 5-hydroxytryptamine receptor 4 | 1 |
Data from ChEMBL 36 via Core Engine