Compound Detail
CHEMBL2402887
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Basic Information
| ChEMBL ID | CHEMBL2402887 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SMJJKUKILIABKV-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
478.6
MW (Da)
-0.06
ALogP
7
HBA
3
HBD
121.9
PSA (Ų)
0.49
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.2
EC50 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 CHEMBL1875 | Ki | 8.2 | 8.2 | 6.3 | 1 |
| 5-hydroxytryptamine receptor 4 CHEMBL1875 | EC50 | 8.0 | 8.0 | 10.0 | 1 |
| 5-hydroxytryptamine receptor 3A CHEMBL1899 | Ki | 4.3 | 4.3 | 50118.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 | Ki | = | 6.31 | nM | 8.2 | Binding affinity to human recombinant 5HT4 receptor | 23756062 |
| 5-hydroxytryptamine receptor 4 | EC50 | = | 10.0 | nM | 8.0 | Agonist activity at human recombinant 5HT4 receptor assessed as cAMP accumulatio... | 23756062 |
| 5-hydroxytryptamine receptor 3A | Ki | = | 50118.72 | nM | 4.3 | Binding affinity to human recombinant 5HT3 receptor | 23756062 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23756062 | 10.1016/j.bmcl.2013.05.018 | 5-hydroxytryptamine receptor 4 | 3 |
| 23756062 | 10.1016/j.bmcl.2013.05.018 | 5-hydroxytryptamine receptor 3A | 1 |
Data from ChEMBL 36 via Core Engine