Compound Detail
CHEMBL68680
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Basic Information
| ChEMBL ID | CHEMBL68680 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LGYJRJSIABNMNK-SJLPKXTDSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
344.2
MW (Da)
4.05
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1A) dopamine receptor CHEMBL265 | IC50 | 6.49 | 6.49 | 322.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1A) dopamine receptor | IC50 | = | 322.0 | nM | 6.49 | Binding affinity against Dopamine receptor D1 by using [3H]SCH-23390 as radiolig... | 7830274 |
| D(2) dopamine receptor | IC50 | = | 3000.0 | nM | 5.52 | Binding affinity for Dopamine receptor D2 was assessed in vitro in rat striatal ... | 7830274 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9216832 | 10.1021/jm970157a | D(1A) dopamine receptor | 1 |
| 7830274 | 10.1021/jm00002a013 | D(1A) dopamine receptor | 1 |
| 7830274 | 10.1021/jm00002a013 | D(2) dopamine receptor | 1 |
| 7830274 | 10.1021/jm00002a013 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine