Compound Detail
CHEMBL1782357
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Basic Information
| ChEMBL ID | CHEMBL1782357 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BWJVVDXMXAHTNJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
296.4
MW (Da)
3.48
ALogP
3
HBA
1
HBD
15.3
PSA (Ų)
0.91
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 7.31 | 7.31 | 49.0 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 7.09 | 7.09 | 81.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | Ki | = | 49.0 | nM | 7.31 | Displacement of [3H]mesulergine from human 5HT2C receptor in human tsA201 cells | 20719507 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 81.0 | nM | 7.09 | Displacement of [3H]5-LSD from human 5HT6 receptor expressed in human HeLa cells | 20719507 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20719507 | 10.1016/j.bmcl.2010.07.105 | 5-hydroxytryptamine receptor 2C | 1 |
| 20719507 | 10.1016/j.bmcl.2010.07.105 | 5-hydroxytryptamine receptor 6 | 1 |
Data from ChEMBL 36 via Core Engine