Compound Detail
CHEMBL107041
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Basic Information
| ChEMBL ID | CHEMBL107041 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GBWRVNBURCRHGS-OAHLLOKOSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
310.4
MW (Da)
3.21
ALogP
4
HBA
3
HBD
69.7
PSA (Ų)
0.59
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | IC50 | 8.26 | 8.26 | 5.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | IC50 | = | 5.5 | nM | 8.26 | Binding affinity against Dopamine receptor D2 from rat brain corpus striatum mem... | 2147956 |
| D(2) dopamine receptor | IC50 | = | 5.5 | nM | 8.26 | Displacement of [3H]raclopride from rat dopamine D2 receptor | 17228858 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2147956 | 10.1021/jm00174a002 | D(1A) dopamine receptor | 1 |
| 2147956 | 10.1021/jm00174a002 | D(2) dopamine receptor | 1 |
| 2147956 | 10.1021/jm00174a002 | Dopamine D1 and D2 receptor | 1 |
| 17228858 | 10.1021/jm060959i | D(1A) dopamine receptor | 1 |
| 17228858 | 10.1021/jm060959i | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine