Compound Detail
CHEMBL550881
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Basic Information
| ChEMBL ID | CHEMBL550881 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HBMLSWFKFNOFCI-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
481.6
MW (Da)
2.86
ALogP
5
HBA
3
HBD
97.8
PSA (Ų)
0.26
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 6.71 | 6.71 | 195.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 6.03 | 6.03 | 940.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 5.01 | 5.01 | 9860.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 195.0 | nM | 6.71 | Binding affinity to human cloned 5HT7 receptor expressed in HEK293 cells | 19560916 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 940.0 | nM | 6.03 | Binding affinity to 5HT2A receptor in rat cortex | 19560916 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 9860.0 | nM | 5.01 | Binding affinity to 5HT1A receptor in rat hippocampus | 19560916 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19560916 | 10.1016/j.bmcl.2009.06.038 | 5-hydroxytryptamine receptor 1A | 1 |
| 19560916 | 10.1016/j.bmcl.2009.06.038 | 5-hydroxytryptamine receptor 2A | 1 |
| 19560916 | 10.1016/j.bmcl.2009.06.038 | 5-hydroxytryptamine receptor 7 | 1 |
| 19560916 | 10.1016/j.bmcl.2009.06.038 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine