Compound Detail
CHEMBL422283
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL422283 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OEQUHNCHYOZDKW-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
454.6
MW (Da)
4.34
ALogP
5
HBA
0
HBD
59.1
PSA (Ų)
0.47
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | IC50 | 8.05 | 8.05 | 8.8 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL3459 | IC50 | 5.66 | 5.66 | 2210.0 | 1 |
| D(2) dopamine receptor CHEMBL3998 | IC50 | 5.55 | 5.55 | 2840.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.54 | 5.54 | 2910.0 | 1 |
| D(1A) dopamine receptor CHEMBL2967 | IC50 | 4.63 | 4.63 | 23400.0 | 1 |
| Serotonin 3 receptor (5HT3) CHEMBL2111333 | IC50 | 4.38 | 4.38 | 41400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | IC50 | = | 8.81 | nM | 8.05 | Binding affinity to 5-hydroxytryptamine 1A receptor in rat hippocampus membranes... | 8863806 |
| 5-hydroxytryptamine receptor 1B | IC50 | = | 2210.0 | nM | 5.66 | Binding affinity to 5-HT1B receptors using rat cortex+striatum + globus pallidus... | 8863806 |
| D(2) dopamine receptor | IC50 | = | 2840.0 | nM | 5.55 | Displacement of [3H]SDZ-205-501 from Dopamine receptor D2 in calf caudate nucleu... | 8863806 |
| Unchecked | IC50 | = | 2910.0 | nM | 5.54 | Binding affinity to 5-hydroxytryptamine 2 receptor using calf frontal cortex, [3... | 8863806 |
| D(1A) dopamine receptor | IC50 | = | 23400.0 | nM | 4.63 | Displacement of [3H]raclopride from Dopamine receptor D1 of calf striatum | 8863806 |
| Serotonin 3 receptor (5HT3) | IC50 | = | 41400.0 | nM | 4.38 | Displacement of [3H]-BRC 36694 from 5-hydroxytryptamine 3 receptor in NG108-15 c... | 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