Compound Detail
CHEMBL5219924
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Basic Information
| ChEMBL ID | CHEMBL5219924 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PQXKDMSYBGKCJA-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
492.7
MW (Da)
4.26
ALogP
6
HBA
0
HBD
56.8
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | Ki | 8.77 | 8.77 | 1.7 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 8.7 | 8.7 | 2.0 | 1 |
| Alpha-2C adrenergic receptor CHEMBL1916 | Ki | 7.96 | 7.96 | 11.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 1.7 | nM | 8.77 | Binding affinity to D2R (unknown origin) assessed as inhibition constant | 34311086 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 2.0 | nM | 8.7 | Binding affinity to 5-HT2AR (unknown origin) assessed as inhibition constant | 34311086 |
| Alpha-2C adrenergic receptor | Ki | = | 11.0 | nM | 7.96 | Binding affinity to alpha2C AR (unknown origin) assessed as inhibition constant | 34311086 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34311086 | 10.1016/j.bmcl.2021.128275 | 5-hydroxytryptamine receptor 7 | 1 |
| 34311086 | 10.1016/j.bmcl.2021.128275 | 5-hydroxytryptamine receptor 2A | 1 |
| 34311086 | 10.1016/j.bmcl.2021.128275 | D(2) dopamine receptor | 1 |
| 34311086 | 10.1016/j.bmcl.2021.128275 | 5-hydroxytryptamine receptor 1A | 1 |
| 34311086 | 10.1016/j.bmcl.2021.128275 | Alpha-2C adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine