Compound Detail
CHEMBL2179704
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Basic Information
| ChEMBL ID | CHEMBL2179704 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GPTMIZJLSFAVFX-UHFFFAOYSA-N |
| Parent Compound | CHEMBL2221162 |
| Active Moiety | CHEMBL2221162 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
420.6
MW (Da)
4.01
ALogP
5
HBA
2
HBD
70.4
PSA (Ų)
0.61
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 CHEMBL1875 | Ki | 9.6 | 9.6 | 0.3 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 | Ki | = | 0.2512 | nM | 9.6 | Displacement of [3H](1-(2-(methylsulfonamido)ethyl)piperidin-4-yl)methyl 1-methy... | 23043420 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 10.0 | nM | 8.0 | Displacement of [3H]ketanserin from human 5HT2AR expressed in CHOK1 cells | 23043420 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23043420 | 10.1021/jm300573d | 5-hydroxytryptamine receptor 4 | 3 |
| 23043420 | 10.1021/jm300573d | 5-hydroxytryptamine receptor 2A | 1 |
| 23043420 | 10.1021/jm300573d | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine