Compound Detail
CHEMBL234885
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Basic Information
| ChEMBL ID | CHEMBL234885 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KQRAKUVQYREATE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
211.3
MW (Da)
3.16
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 8.12 | 8.12 | 7.5 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 5.83 | 5.83 | 1470.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 7.5 | nM | 8.12 | Displacement of [3H]LSD from human 5HT7 in sf9 cells | 17419056 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 1470.0 | nM | 5.83 | Binding affinity to rat 5HT1A | 17419056 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17419056 | 10.1016/j.bmcl.2007.03.054 | 5-hydroxytryptamine receptor 7 | 3 |
| 17419056 | 10.1016/j.bmcl.2007.03.054 | 5-hydroxytryptamine receptor 1A | 3 |
Data from ChEMBL 36 via Core Engine