Compound Detail
CHEMBL394042
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Basic Information
| ChEMBL ID | CHEMBL394042 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KQJONGKWMANDMM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
345.4
MW (Da)
3.63
ALogP
3
HBA
1
HBD
45.2
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 6.49 | 6.49 | 326.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 6.28 | 6.28 | 524.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 326.0 | nM | 6.49 | Displacement of [3H]nemonapride from human cloned dopamine D4.2 receptor | 17251022 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 524.0 | nM | 6.28 | Displacement of [3H]ketanserin from rat 5HT2A receptor | 17251022 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17251022 | 10.1016/j.bmcl.2006.12.106 | D(4) dopamine receptor | 1 |
| 17251022 | 10.1016/j.bmcl.2006.12.106 | 5-hydroxytryptamine receptor 2A | 1 |
| 17251022 | 10.1016/j.bmcl.2006.12.106 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine