Compound Detail
CHEMBL562460
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Basic Information
| ChEMBL ID | CHEMBL562460 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VFIJPYCEACRORO-XFULWGLBSA-N |
| Parent Compound | CHEMBL1197201 |
| Active Moiety | CHEMBL1197201 |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
295.4
MW (Da)
3.55
ALogP
3
HBA
2
HBD
43.7
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.94
EC50 1 meas. best 6.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 6.94 | 6.94 | 115.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | EC50 | 6.32 | 6.32 | 480.0 | 1 |
| D(1A) dopamine receptor CHEMBL2056 | Ki | 5.87 | 5.87 | 1340.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 115.0 | nM | 6.94 | Displacement of [3H]raclopride from rat dopamine D2short receptor expressed in C... | 19454369 |
| D(2) dopamine receptor | EC50 | = | 480.0 | nM | 6.32 | Agonist activity at rat dopamine D2short receptor expressed in CHO-K1 cells asse... | 19454369 |
| D(1A) dopamine receptor | Ki | = | 1340.0 | nM | 5.87 | Displacement of [3H]SCH23390 from dopamine D1 receptor expressed in Ltk deficien... | 19454369 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19454369 | 10.1016/j.bmc.2009.04.047 | D(2) dopamine receptor | 3 |
| 19454369 | 10.1016/j.bmc.2009.04.047 | D(1A) dopamine receptor | 1 |
| 19454369 | 10.1016/j.bmc.2009.04.047 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine