Compound Detail
CHEMBL4285942
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Basic Information
| ChEMBL ID | CHEMBL4285942 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QNFFQBKCWVJYON-UHFFFAOYSA-N |
| Parent Compound | CHEMBL346692 |
| Active Moiety | CHEMBL346692 |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
445.4
MW (Da)
4.81
ALogP
3
HBA
2
HBD
51.4
PSA (Ų)
0.51
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.81
EC50 1 meas. best 10.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | EC50 | 10.59 | 10.59 | 0.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 7.81 | 7.81 | 15.6 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.69 | 6.69 | 202.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | EC50 | = | 0.026 | nM | 10.59 | Agonist activity at human D3 receptor expressed in HEK293 cells assessed as inhi... | 30288220 |
| D(3) dopamine receptor | Ki | = | 15.6 | nM | 7.81 | Displacement of [3H]-sulpiride from human D3 receptor expressed in HEK293 cells ... | 30288220 |
| D(2) dopamine receptor | Ki | = | 202.3 | nM | 6.69 | 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 | 4 |
| 30288220 | 10.1039/C8MD00237A | D(2) dopamine receptor | 2 |
| 30288220 | 10.1039/C8MD00237A | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine