Compound Detail
CHEMBL137486
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Basic Information
| ChEMBL ID | CHEMBL137486 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MQARXTPEJIJVAR-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
458.6
MW (Da)
3.92
ALogP
5
HBA
1
HBD
67.9
PSA (Ų)
0.61
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | IC50 | 7.17 | 7.17 | 68.0 | 1 |
| D(2) dopamine receptor CHEMBL3998 | IC50 | 5.38 | 5.38 | 4220.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.68 | 4.68 | 21100.0 | 1 |
| D(1A) dopamine receptor CHEMBL2967 | IC50 | 4.42 | 4.42 | 38000.0 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL3459 | IC50 | 4.29 | 4.29 | 51100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | IC50 | = | 68.0 | nM | 7.17 | Binding affinity to 5-hydroxytryptamine 1A receptor in rat hippocampus membranes... | 8863806 |
| D(2) dopamine receptor | IC50 | = | 4220.0 | nM | 5.38 | Displacement of [3H]SDZ-205-501 from Dopamine receptor D2 in calf caudate nucleu... | 8863806 |
| Unchecked | IC50 | = | 21100.0 | nM | 4.68 | Binding affinity to 5-hydroxytryptamine 2 receptor using calf frontal cortex, [3... | 8863806 |
| D(1A) dopamine receptor | IC50 | = | 38000.0 | nM | 4.42 | Displacement of [3H]raclopride from Dopamine receptor D1 of calf striatum | 8863806 |
| 5-hydroxytryptamine receptor 1B | IC50 | = | 51100.0 | nM | 4.29 | Binding affinity to 5-HT1B receptors using rat cortex+striatum + globus pallidus... | 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 |
| 8863806 | 10.1021/jm950861w | D(1A) dopamine receptor | 1 |
| 8863806 | 10.1021/jm950861w | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine