Compound Detail
CHEMBL4636318
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4636318 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | USOMZJJKRPELBV-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
336.4
MW (Da)
3.57
ALogP
4
HBA
1
HBD
47.7
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 6.96 | 6.96 | 110.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.02 | 6.02 | 963.0 | 1 |
| D(1A) dopamine receptor CHEMBL2056 | Ki | 5.95 | 5.95 | 1111.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 110.0 | nM | 6.96 | Binding affinity to human 5HT2A receptor | 32107165 |
| D(2) dopamine receptor | Ki | = | 963.0 | nM | 6.02 | Binding affinity to human D2 receptor | 32107165 |
| D(1A) dopamine receptor | Ki | = | 1111.0 | nM | 5.95 | Binding affinity to human D1 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