Compound Detail
CHEMBL143426
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Basic Information
| ChEMBL ID | CHEMBL143426 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DEWPDCSLWTYBEZ-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
314.4
MW (Da)
3.84
ALogP
3
HBA
1
HBD
45.3
PSA (Ų)
0.82
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.3
Ki 1 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 CHEMBL5017 | IC50 | 9.3 | 9.3 | 0.5 | 2 |
| Serotonin 4 (5-HT4) receptor CHEMBL2696 | Ki | 8.6 | 8.6 | 2.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 | IC50 | = | 0.5012 | nM | 9.3 | Ability to block 5-HT4 receptor mediated effect of 5-HT was assessed in the guin... | - |
| 5-hydroxytryptamine receptor 4 | IC50 | = | 0.5012 | nM | 9.3 | Ability to antagonize 5-HT-evoked contractions mediated through 5-hydroxytryptam... | 7490724 |
| Serotonin 4 (5-HT4) receptor | Ki | = | 2.512 | nM | 8.6 | Compound was evaluated for its ability to inhibit the binding of 5-HT4 receptor ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80176-1 | 5-hydroxytryptamine receptor 4 | 1 |
| - | 10.1016/S0960-894X(01)80176-1 | Serotonin 4 (5-HT4) receptor | 1 |
| 7490724 | 10.1021/jm00024a002 | 5-hydroxytryptamine receptor 4 | 1 |
Data from ChEMBL 36 via Core Engine