Compound Detail
CHEMBL155124
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Basic Information
| ChEMBL ID | CHEMBL155124 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HFXFSRVPQGPLAN-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
321.4
MW (Da)
2.65
ALogP
4
HBA
0
HBD
36.4
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | Ki | 6.4 | 6.4 | 398.1 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 6.01 | 6.01 | 977.2 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 5.48 | 5.48 | 3311.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 398.11 | nM | 6.4 | Binding affinity towards dopamine receptor D2 | 14741248 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 977.24 | nM | 6.01 | Binding affinity towards serotonin 5-hydroxytryptamine 2A receptor | 14741248 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 3311.31 | nM | 5.48 | Binding affinity towards serotonin 5-hydroxytryptamine 2C receptor | 14741248 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14741248 | 10.1016/j.bmcl.2003.11.064 | 5-hydroxytryptamine receptor 2A | 1 |
| 14741248 | 10.1016/j.bmcl.2003.11.064 | 5-hydroxytryptamine receptor 2C | 1 |
| 14741248 | 10.1016/j.bmcl.2003.11.064 | D(2) dopamine receptor | 1 |
| 14741248 | 10.1016/j.bmcl.2003.11.064 | Serotonin 2 receptors; 5-HT2a & 5-HT2c | 1 |
| 14741248 | 10.1016/j.bmcl.2003.11.064 | Dopamine D2 receptor and serotonin 2a receptor | 1 |
Data from ChEMBL 36 via Core Engine