Compound Detail
CHEMBL139304
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Basic Information
| ChEMBL ID | CHEMBL139304 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DGEMRQOHHQEUDR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
418.5
MW (Da)
2.42
ALogP
5
HBA
1
HBD
60.9
PSA (Ų)
0.81
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | IC50 | 7.38 | 7.38 | 42.0 | 1 |
| D(1A) dopamine receptor CHEMBL265 | IC50 | 6.16 | 6.16 | 690.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | IC50 | = | 42.0 | nM | 7.38 | Binding affinity against dopamine receptor D2 | 7473566 |
| D(1A) dopamine receptor | IC50 | = | 690.0 | nM | 6.16 | Binding affinity for dopamine receptor D1, activity is expressed as IC50 values. | 7473566 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7473566 | 10.1021/jm00022a004 | D(1A) dopamine receptor | 1 |
| 7473566 | 10.1021/jm00022a004 | D(2) dopamine receptor | 1 |
| 7473566 | 10.1021/jm00022a004 | Dopamine receptors; D1 & D2 | 1 |
Data from ChEMBL 36 via Core Engine