Compound Detail
CHEMBL4749033
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Basic Information
| ChEMBL ID | CHEMBL4749033 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OFNWXXGHORGIMJ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
413.9
MW (Da)
3.56
ALogP
4
HBA
0
HBD
36.0
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 6.57 | 6.57 | 268.3 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 6.45 | 6.45 | 356.2 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 6.23 | 6.23 | 589.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 268.3 | nM | 6.57 | Displacement of [3H]spiperone from D2 receptor in rat striatum measured after 15... | 32877805 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 356.2 | nM | 6.45 | Displacement of [3H](+)8-OH-DPAT from rat cerebral cortex 5HT1A receptor measure... | 32877805 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 589.4 | nM | 6.23 | Displacement of [3H]ketanserin from rat cerebral cortex 5HT2A receptor measured ... | 32877805 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32877805 | 10.1016/j.ejmech.2020.112709 | D(2) dopamine receptor | 1 |
| 32877805 | 10.1016/j.ejmech.2020.112709 | 5-hydroxytryptamine receptor 1A | 1 |
| 32877805 | 10.1016/j.ejmech.2020.112709 | 5-hydroxytryptamine receptor 2A | 1 |
Data from ChEMBL 36 via Core Engine