Compound Detail
CHEMBL127290
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Basic Information
| ChEMBL ID | CHEMBL127290 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DUDRAXFTMQLSMY-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
320.4
MW (Da)
3.50
ALogP
3
HBA
1
HBD
35.2
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.0
Ki 1 meas. best 8.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 8.42 | 8.42 | 3.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | IC50 | = | 1.0 | nM | 9.0 | In vitro inhibitory concentration tested on human D4.4 receptor in HEK293 cells ... | 15239663 |
| D(4) dopamine receptor | Ki | = | 3.8 | nM | 8.42 | In vitro binding affinity tested on HEK293 cells co-transfected with human D4.4 ... | 15239663 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15239663 | 10.1021/jm030505a | D(4) dopamine receptor | 2 |
Data from ChEMBL 36 via Core Engine