Compound Detail
CHEMBL4646927
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Basic Information
| ChEMBL ID | CHEMBL4646927 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JXBAEBMIKAIUEB-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
340.4
MW (Da)
3.36
ALogP
5
HBA
0
HBD
64.8
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.34 | 6.34 | 458.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.32 | 6.32 | 478.0 | 1 |
| D(1A) dopamine receptor CHEMBL2056 | Ki | 6.14 | 6.14 | 726.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 5.87 | 5.87 | 1347.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 458.0 | nM | 6.34 | Binding affinity to human 5HT1A receptor | 32107165 |
| D(2) dopamine receptor | Ki | = | 478.0 | nM | 6.32 | Binding affinity to human D2 receptor | 32107165 |
| D(1A) dopamine receptor | Ki | = | 726.0 | nM | 6.14 | Binding affinity to human D1 receptor | 32107165 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 1347.0 | nM | 5.87 | Binding affinity to human 5HT2A receptor | 32107165 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32107165 | 10.1016/j.bmcl.2020.127053 | D(2) dopamine receptor | 1 |
| 32107165 | 10.1016/j.bmcl.2020.127053 | D(1A) dopamine receptor | 1 |
| 32107165 | 10.1016/j.bmcl.2020.127053 | 5-hydroxytryptamine receptor 2A | 1 |
| 32107165 | 10.1016/j.bmcl.2020.127053 | 5-hydroxytryptamine receptor 1A | 1 |
| 32107165 | 10.1016/j.bmcl.2020.127053 | D(1B) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine