Compound Detail
CHEMBL3329812
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Basic Information
| ChEMBL ID | CHEMBL3329812 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OSFQBYIRERQOSH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
454.6
MW (Da)
4.18
ALogP
6
HBA
1
HBD
81.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 CHEMBL1875 | Ki | 8.9 | 8.9 | 1.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 | Ki | = | 1.259 | nM | 8.9 | Displacement of [3H]GR113808 from human 5HT4b receptor expressed in HEK293 cell ... | 25149506 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25149506 | 10.1016/j.bmcl.2014.06.083 | 5-hydroxytryptamine receptor 4 | 2 |
| 25149506 | 10.1016/j.bmcl.2014.06.083 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 25149506 | 10.1016/j.bmcl.2014.06.083 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine