Compound Detail
CHEMBL54183
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Basic Information
| ChEMBL ID | CHEMBL54183 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QNBCPLWFVGLFHO-ZDUSSCGKSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
283.3
MW (Da)
2.56
ALogP
4
HBA
3
HBD
63.9
PSA (Ų)
0.65
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.0
IC50 2 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 7.0 | 7.0 | 100.0 | 1 |
| Dopamine receptor CHEMBL2096970 | Ki | 6.29 | 6.29 | 511.0 | 1 |
| D(1A) dopamine receptor CHEMBL265 | Ki | 6.07 | 6.07 | 851.0 | 1 |
| Dopamine receptor CHEMBL2096970 | IC50 | 5.82 | 5.61 | 1500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 100.0 | nM | 7.0 | Binding affinity at rat striatal Dopamine receptor D2 using [3H]- piperone radio... | 1971309 |
| Dopamine receptor | Ki | = | 511.0 | nM | 6.29 | Agonistic activity against calf striatal Dopamine receptor using [3H]- ADTN radi... | 1971309 |
| D(1A) dopamine receptor | Ki | = | 851.0 | nM | 6.07 | Binding affinity at rat striatal Dopamine receptor D1 using [3H]- SCH-23390 radi... | 1971309 |
| Dopamine receptor | IC50 | = | 1500.0 | nM | 5.82 | Tested for binding to dopamine receptor using [3H]- ADTN as radioligand in calf ... | 7120288 |
| Dopamine receptor | IC50 | = | 4000.0 | nM | 5.4 | Tested for binding to dopamine receptor using [3H]apomorphine as radioligand in ... | 7120288 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7120288 | 10.1021/jm00350a021 | Dopamine receptor | 3 |
| 7120288 | 10.1021/jm00350a021 | Adenylate cyclase | 1 |
| 1971309 | 10.1021/jm00168a040 | Dopamine receptor | 1 |
| 1971309 | 10.1021/jm00168a040 | D(1A) dopamine receptor | 1 |
| 1971309 | 10.1021/jm00168a040 | D(2) dopamine receptor | 1 |
| 1971309 | 10.1021/jm00168a040 | Dopamine receptors; D1 & D2 | 1 |
Data from ChEMBL 36 via Core Engine