Compound Detail
CHEMBL233566
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Basic Information
| ChEMBL ID | CHEMBL233566 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UBCLTXIFVDEQLA-GOSISDBHSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
323.4
MW (Da)
4.24
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.92
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 6.32 | 6.32 | 480.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 5.87 | 5.87 | 1350.0 | 1 |
| D(1A) dopamine receptor CHEMBL265 | Ki | 5.55 | 5.55 | 2790.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 480.0 | nM | 6.32 | Displacement of [3H]8-OH-DPAT from rat 5HT1A receptor | 17543523 |
| D(2) dopamine receptor | Ki | = | 1350.0 | nM | 5.87 | Displacement of [3H]nemonapride from rat dopamine D2 receptor | 17543523 |
| D(1A) dopamine receptor | Ki | = | 2790.0 | nM | 5.55 | Displacement of [3H]SCH-23390 from rat dopamine D1 receptor | 17543523 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17543523 | 10.1016/j.bmcl.2007.05.057 | D(1A) dopamine receptor | 1 |
| 17543523 | 10.1016/j.bmcl.2007.05.057 | D(2) dopamine receptor | 1 |
| 17543523 | 10.1016/j.bmcl.2007.05.057 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine