Compound Detail
CHEMBL315071
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Basic Information
| ChEMBL ID | CHEMBL315071 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IXXTXCSTYLTTPX-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
366.9
MW (Da)
3.53
ALogP
5
HBA
1
HBD
64.8
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.89
EC50 1 meas. best 8.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 CHEMBL4317 | Ki | 9.89 | 9.89 | 0.1 | 1 |
| 5-hydroxytryptamine receptor 4 CHEMBL4317 | EC50 | 8.73 | 8.73 | 1.9 | 1 |
| Serotonin 3 (5-HT3) receptor CHEMBL2094116 | Ki | 6.6 | 6.6 | 250.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 | Ki | = | 0.13 | nM | 9.89 | Binding affinity at 5-hydroxytryptamine 4 receptor in rat striatum by [3H]GR-113... | - |
| 5-hydroxytryptamine receptor 4 | EC50 | = | 1.85 | nM | 8.73 | In vitro relaxation of carbachol pre-contracted rat oesophageal TMM. | - |
| Serotonin 3 (5-HT3) receptor | Ki | = | 250.0 | nM | 6.6 | Binding affinity at 5-hydroxytryptamine 3 receptor in rat entorhinal cortex by [... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00002-9 | 5-hydroxytryptamine receptor 4 | 2 |
| - | 10.1016/0960-894X(96)00002-9 | Serotonin 3 (5-HT3) receptor | 1 |
Data from ChEMBL 36 via Core Engine