Compound Detail
CHEMBL336218
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Basic Information
| ChEMBL ID | CHEMBL336218 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LGYJRJSIABNMNK-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
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
Ki 2 meas. best 6.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1A) dopamine receptor CHEMBL265 | Ki | 6.86 | 6.855 | 138.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1A) dopamine receptor | Ki | = | 138.0 | nM | 6.86 | Binding affinity towards dopamine receptor D1 using [3H]SCH-23390 was determined... | 7996543 |
| D(1A) dopamine receptor | Ki | = | 141.25 | nM | 6.85 | Binding affinity against dopamine receptor D1 | 7996543 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7996543 | 10.1021/jm00051a008 | D(1A) dopamine receptor | 3 |
Data from ChEMBL 36 via Core Engine