Compound Detail
CHEMBL2022271
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Basic Information
| ChEMBL ID | CHEMBL2022271 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RGWQQGRBCBEASR-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
404.9
MW (Da)
4.74
ALogP
5
HBA
0
HBD
41.0
PSA (Ų)
0.62
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 6.68 | 6.68 | 210.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.58 | 6.58 | 266.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 5.96 | 5.96 | 1106.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 210.0 | nM | 6.68 | Displacement of [3H]-YM09151-2 from human cloned dopamine D4 receptor expressed ... | 22268448 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 266.0 | nM | 6.58 | Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor expressed in... | 22268448 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 1106.0 | nM | 5.96 | Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed i... | 22268448 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22268448 | 10.1021/jm2013419 | D(4) dopamine receptor | 1 |
| 22268448 | 10.1021/jm2013419 | 5-hydroxytryptamine receptor 1A | 1 |
| 22268448 | 10.1021/jm2013419 | 5-hydroxytryptamine receptor 2A | 1 |
| 22268448 | 10.1021/jm2013419 | No relevant target | 1 |
| 22268448 | 10.1021/jm2013419 | Alpha-2A adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine