Compound Detail
CHEMBL2022269
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Basic Information
| ChEMBL ID | CHEMBL2022269 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZCSQZBVTVLZRJN-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
314.8
MW (Da)
2.82
ALogP
5
HBA
1
HBD
49.8
PSA (Ų)
0.81
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 6.88 | 6.88 | 131.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.43 | 6.43 | 375.0 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 6.14 | 6.14 | 729.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 131.0 | nM | 6.88 | Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed i... | 22268448 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 375.0 | nM | 6.43 | Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor expressed in... | 22268448 |
| Alpha-2A adrenergic receptor | Ki | = | 729.0 | nM | 6.14 | Displacement of [3H]-MK-912 from human cloned adrenergic alpha2A receptor expres... | 22268448 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22268448 | 10.1021/jm2013419 | Unchecked | 12 |
| 22268448 | 10.1021/jm2013419 | Caudate-putamen | 10 |
| 22268448 | 10.1021/jm2013419 | Hippocampus | 7 |
| 22268448 | 10.1021/jm2013419 | D(2) dopamine receptor | 4 |
| 22268448 | 10.1021/jm2013419 | Serotonin 1a (5-HT1a) receptor/Adrenergic receptor alpha-1 | 4 |
| 22268448 | 10.1021/jm2013419 | 5-hydroxytryptamine receptor 1A | 1 |
| 22268448 | 10.1021/jm2013419 | 5-hydroxytryptamine receptor 2A | 1 |
| 22268448 | 10.1021/jm2013419 | Alpha-2A adrenergic receptor | 1 |
| 22268448 | 10.1021/jm2013419 | No relevant target | 1 |
| 22268448 | 10.1021/jm2013419 | D(4) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine