Compound Detail
CHEMBL11425
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Basic Information
| ChEMBL ID | CHEMBL11425 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZXXWEZYYAYQNEN-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
384.5
MW (Da)
3.32
ALogP
4
HBA
1
HBD
58.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | IC50 | 8.2 | 8.2 | 6.3 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | IC50 | 7.25 | 7.25 | 56.2 | 1 |
| D(2) dopamine receptor CHEMBL217 | IC50 | 7.17 | 7.17 | 67.6 | 1 |
| D(1A) dopamine receptor CHEMBL2056 | IC50 | 5.48 | 5.48 | 3311.3 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL1898 | IC50 | 5.16 | 5.16 | 6918.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | IC50 | = | 6.31 | nM | 8.2 | Binding affinity towards 5-hydroxytryptamine 1A receptor by displacement of [3H]... | - |
| 5-hydroxytryptamine receptor 2A | IC50 | = | 56.23 | nM | 7.25 | Binding affinity towards 5-hydroxytryptamine 2A receptor by displacement of [3H]... | - |
| D(2) dopamine receptor | IC50 | = | 67.61 | nM | 7.17 | Binding affinity towards Dopamine receptor D2 by displacement of [3H]-Raclopride... | - |
| D(1A) dopamine receptor | IC50 | = | 3311.31 | nM | 5.48 | Binding affinity towards Dopamine receptor D1 by displacement of [3H]SCH-23,390 | - |
| 5-hydroxytryptamine receptor 1B | IC50 | = | 6918.31 | nM | 5.16 | Binding affinity towards 5-hydroxytryptamine 1B receptor by displacement of [3H]... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00174-6 | 5-hydroxytryptamine receptor 1A | 1 |
| - | 10.1016/0960-894X(96)00174-6 | 5-hydroxytryptamine receptor 1B | 1 |
| - | 10.1016/0960-894X(96)00174-6 | 5-hydroxytryptamine receptor 2A | 1 |
| - | 10.1016/0960-894X(96)00174-6 | 5-hydroxytryptamine receptor 2C | 1 |
| - | 10.1016/0960-894X(96)00174-6 | D(1A) dopamine receptor | 1 |
| - | 10.1016/0960-894X(96)00174-6 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine