Compound Detail
CHEMBL4294744
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Basic Information
| ChEMBL ID | CHEMBL4294744 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NQPMEVDLXOHCCR-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
399.4
MW (Da)
3.16
ALogP
4
HBA
0
HBD
43.9
PSA (Ų)
0.55
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.71
EC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 7.71 | 7.71 | 19.3 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.67 | 5.67 | 2163.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 19.3 | nM | 7.71 | Displacement of [3H]-sulpiride from human D3 receptor expressed in HEK293 cells ... | 30288220 |
| D(2) dopamine receptor | Ki | = | 2163.1 | nM | 5.67 | Displacement of [3H]-sulpiride from human D2 receptor expressed in HEK293 cells ... | 30288220 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30288220 | 10.1039/C8MD00237A | D(3) dopamine receptor | 5 |
| 30288220 | 10.1039/C8MD00237A | D(2) dopamine receptor | 2 |
| 30288220 | 10.1039/C8MD00237A | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine