Compound Detail
CHEMBL476616
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Basic Information
| ChEMBL ID | CHEMBL476616 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RDKWEZMEUOXORN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
472.6
MW (Da)
4.02
ALogP
7
HBA
0
HBD
51.9
PSA (Ų)
0.39
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.58 | 7.58 | 26.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 6.78 | 6.78 | 168.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 26.0 | nM | 7.58 | Inhibition of rat hippocampus 5HT1A receptor by competitive binding assay | 19237285 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 168.0 | nM | 6.78 | Inhibition of human 5HT7 receptor expressed in HEK293 cells by competitive bindi... | 19237285 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19237285 | 10.1016/j.bmcl.2009.02.008 | 5-hydroxytryptamine receptor 1A | 1 |
| 19237285 | 10.1016/j.bmcl.2009.02.008 | 5-hydroxytryptamine receptor 7 | 1 |
Data from ChEMBL 36 via Core Engine