Compound Detail
CHEMBL94099
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Basic Information
| ChEMBL ID | CHEMBL94099 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IFSDANIDRWECEK-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
380.5
MW (Da)
0.98
ALogP
6
HBA
2
HBD
104.4
PSA (Ų)
0.69
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 CHEMBL4317 | Ki | 7.58 | 7.58 | 26.1 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 | Ki | = | 26.1 | nM | 7.58 | In vitro binding affinity to 5-hydroxytryptamine 4 receptor in rat striatum memb... | 11597405 |
| 5-hydroxytryptamine receptor 4 | Ki | = | 26.3 | nM | 7.58 | pKi against 5-hydroxytryptamine 4 receptor in rat striatum membrane | 11597405 |
| 5-hydroxytryptamine receptor 4 | Ki | = | 26.1 | nM | 7.58 | Binding affinity to 5-hydroxytryptamine 4 receptor using [3H]GR-113808 as radiol... | 12383006 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11597405 | 10.1016/s0960-894x(01)00517-0 | 5-hydroxytryptamine receptor 4 | 2 |
| 12383006 | 10.1021/jm020807x | 5-hydroxytryptamine receptor 4 | 1 |
Data from ChEMBL 36 via Core Engine