Compound Detail
CHEMBL2179696
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Basic Information
| ChEMBL ID | CHEMBL2179696 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JTJOXOZYPWCROU-UHFFFAOYSA-N |
| Parent Compound | CHEMBL2220973 |
| Active Moiety | CHEMBL2220973 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
390.5
MW (Da)
4.26
ALogP
4
HBA
1
HBD
50.2
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 CHEMBL1875 | Ki | 9.2 | 9.2 | 0.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 | Ki | = | 0.631 | nM | 9.2 | Displacement of [3H](1-(2-(methylsulfonamido)ethyl)piperidin-4-yl)methyl 1-methy... | 23043420 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23043420 | 10.1021/jm300573d | 5-hydroxytryptamine receptor 2A | 1 |
| 23043420 | 10.1021/jm300573d | 5-hydroxytryptamine receptor 4 | 1 |
Data from ChEMBL 36 via Core Engine