Compound Detail
CHEMBL53490
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Basic Information
| ChEMBL ID | CHEMBL53490 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BBZRRZHQHYRCIA-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
253.3
MW (Da)
1.29
ALogP
5
HBA
1
HBD
45.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor CHEMBL2094132 | IC50 | 8.83 | 8.83 | 1.5 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | IC50 | 7.19 | 7.19 | 64.6 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL3459 | IC50 | 6.82 | 6.82 | 151.4 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | IC50 | 6.57 | 6.57 | 269.1 | 1 |
| 5-hydroxytryptamine receptor 1D CHEMBL4105 | IC50 | 5.77 | 5.77 | 1698.2 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL3446 | IC50 | 4.84 | 4.84 | 14454.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor | IC50 | = | 1.479 | nM | 8.83 | Binding affinity against 5-hydroxytryptamine 3 receptor was measured using [3H]g... | 9191957 |
| 5-hydroxytryptamine receptor 1A | IC50 | = | 64.57 | nM | 7.19 | Binding affinity against 5-hydroxytryptamine 1A receptor was measured using [3H]... | 9191957 |
| 5-hydroxytryptamine receptor 1B | IC50 | = | 151.36 | nM | 6.82 | Binding affinity towards 5-hydroxytryptamine 1B receptor was measured using [3H]... | 9191957 |
| 5-hydroxytryptamine receptor 2C | IC50 | = | 269.15 | nM | 6.57 | Binding affinity against 5-Hydroxytryptamine 2C Receptor was measured using [3H]... | 9191957 |
| 5-hydroxytryptamine receptor 1D | IC50 | = | 1698.24 | nM | 5.77 | Binding affinity against 5-hydroxytryptamine 1D receptor was measured using [3H]... | 9191957 |
| 5-hydroxytryptamine receptor 2A | IC50 | = | 14454.4 | nM | 4.84 | Binding affinity against 5-hydroxytryptamine 2A receptor was measured using [3H]... | 9191957 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9191957 | 10.1021/jm960501o | 5-hydroxytryptamine receptor 1A | 1 |
| 9191957 | 10.1021/jm960501o | 5-hydroxytryptamine receptor 1B | 1 |
| 9191957 | 10.1021/jm960501o | 5-hydroxytryptamine receptor 1D | 1 |
| 9191957 | 10.1021/jm960501o | 5-hydroxytryptamine receptor 2A | 1 |
| 9191957 | 10.1021/jm960501o | 5-hydroxytryptamine receptor 2C | 1 |
| 9191957 | 10.1021/jm960501o | Serotonin 3 (5-HT3) receptor | 1 |
Data from ChEMBL 36 via Core Engine