Compound Detail
CHEMBL4645375
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Basic Information
| ChEMBL ID | CHEMBL4645375 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YJYAHERVFDEQKG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
378.5
MW (Da)
3.97
ALogP
4
HBA
1
HBD
50.8
PSA (Ų)
0.80
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1A) dopamine receptor CHEMBL2056 | Ki | 6.81 | 6.81 | 155.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 5.91 | 5.91 | 1220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1A) dopamine receptor | Ki | = | 155.0 | nM | 6.81 | Binding affinity to human D1 receptor | 32107165 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 1220.0 | nM | 5.91 | Binding affinity to human 5HT2A receptor | 32107165 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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(2) dopamine receptor | 1 |
| 32107165 | 10.1016/j.bmcl.2020.127053 | D(1B) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine