Compound Detail
CHEMBL133375
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Basic Information
| ChEMBL ID | CHEMBL133375 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CVBMSXGNWVNTDT-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
468.6
MW (Da)
4.73
ALogP
5
HBA
0
HBD
59.1
PSA (Ų)
0.41
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | IC50 | 7.0 | 7.0 | 101.0 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL3459 | IC50 | 5.57 | 5.57 | 2700.0 | 1 |
| Serotonin 3 receptor (5HT3) CHEMBL2111333 | IC50 | 5.4 | 5.4 | 3970.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.17 | 4.17 | 67300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | IC50 | = | 101.0 | nM | 7.0 | Binding affinity to 5-hydroxytryptamine 1A receptor in rat hippocampus membranes... | 8863806 |
| 5-hydroxytryptamine receptor 1B | IC50 | = | 2700.0 | nM | 5.57 | Binding affinity to 5-HT1B receptors using rat cortex+striatum + globus pallidus... | 8863806 |
| Serotonin 3 receptor (5HT3) | IC50 | = | 3970.0 | nM | 5.4 | Displacement of [3H]-BRC 36694 from 5-hydroxytryptamine 3 receptor in NG108-15 c... | 8863806 |
| Unchecked | IC50 | = | 67300.0 | nM | 4.17 | Binding affinity to 5-hydroxytryptamine 2 receptor using calf frontal cortex, [3... | 8863806 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8863806 | 10.1021/jm950861w | 5-hydroxytryptamine receptor 1A | 1 |
| 8863806 | 10.1021/jm950861w | 5-hydroxytryptamine receptor 1B | 1 |
| 8863806 | 10.1021/jm950861w | Unchecked | 1 |
| 8863806 | 10.1021/jm950861w | Serotonin 3 receptor (5HT3) | 1 |
Data from ChEMBL 36 via Core Engine