Compound Detail
CHEMBL280855
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Basic Information
| ChEMBL ID | CHEMBL280855 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DHLWJXGSZDJWKK-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
195.3
MW (Da)
1.59
ALogP
3
HBA
1
HBD
44.5
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 5.54
Ki 1 meas. best 5.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin (5-HT) receptor CHEMBL2094123 | Kd | 5.54 | 5.54 | 2884.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL323 | Kd | 5.54 | 5.54 | 2884.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 5.37 | 5.37 | 4280.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin (5-HT) receptor | Kd | = | 2884.03 | nM | 5.54 | Affinity against 5-hydroxytryptamine receptors in rat fundus model | 7365744 |
| 5-hydroxytryptamine receptor 2B | Kd | = | 2884.03 | nM | 5.54 | Affinity against 5-hydroxytryptamine 2B receptor in the isolated rat stomach fun... | 7310818 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 4280.0 | nM | 5.37 | Displacement of [3H]ketanserin from NIH3T3 cells stably expressing rat 5-hydroxy... | 10956215 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7365744 | 10.1021/jm00177a017 | Serotonin (5-HT) receptor | 1 |
| 10956215 | 10.1021/jm9906062 | 5-hydroxytryptamine receptor 2A | 1 |
| 10956215 | 10.1021/jm9906062 | 5-hydroxytryptamine receptor 2C | 1 |
| 7310818 | 10.1021/jm00144a009 | Homo sapiens | 1 |
| 7310818 | 10.1021/jm00144a009 | 5-hydroxytryptamine receptor 2B | 1 |
Data from ChEMBL 36 via Core Engine