Compound Detail
CHEMBL383805
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Basic Information
| ChEMBL ID | CHEMBL383805 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YTVZWXSONDLPSZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
237.3
MW (Da)
0.98
ALogP
5
HBA
1
HBD
56.1
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 4.92 | 4.92 | 12000.0 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 4.05 | 4.05 | 90000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 12000.0 | nM | 4.92 | Binding affinity towards human dopamine receptor 3 expressed in Chinese hamster ... | 16134944 |
| D(4) dopamine receptor | Ki | = | 90000.0 | nM | 4.05 | Binding affinity towards human dopamine receptor 4.4 expressed in Chinese hamste... | 16134944 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16134944 | 10.1021/jm0503805 | D(2) dopamine receptor | 2 |
| 16134944 | 10.1021/jm0503805 | D(1A) dopamine receptor | 1 |
| 16134944 | 10.1021/jm0503805 | D(3) dopamine receptor | 1 |
| 16134944 | 10.1021/jm0503805 | D(4) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine