Compound Detail
CHEMBL5278853
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Basic Information
| ChEMBL ID | CHEMBL5278853 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GEVFMRRCRSTMJH-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
316.4
MW (Da)
3.36
ALogP
3
HBA
1
HBD
46.1
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 9.12 | 9.12 | 0.8 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 5.6 | 5.6 | 2500.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.31 | 5.31 | 4900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 0.76 | nM | 9.12 | Displacement of [3H]-spiperone from human D4 receptor expressed in CHO cells ass... | 33422983 |
| D(3) dopamine receptor | Ki | = | 2500.0 | nM | 5.6 | Binding affinity to human D3R assessed as inhibition constant | 33422983 |
| D(2) dopamine receptor | Ki | = | 4900.0 | nM | 5.31 | Binding affinity to human D2R assessed as inhibition constant | 33422983 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33422983 | 10.1016/j.ejmech.2020.113141 | D(2) dopamine receptor | 1 |
| 33422983 | 10.1016/j.ejmech.2020.113141 | D(3) dopamine receptor | 1 |
| 33422983 | 10.1016/j.ejmech.2020.113141 | D(4) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine