Compound Detail
CHEMBL43345
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Basic Information
| ChEMBL ID | CHEMBL43345 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BGOQGUHWXBGXJW-PBHICJAKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
267.3
MW (Da)
2.65
ALogP
3
HBA
3
HBD
52.5
PSA (Ų)
0.64
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1A) dopamine receptor CHEMBL265 | EC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1A) dopamine receptor | EC50 | = | 10000.0 | nM | 5.0 | Effective concentration was determined for the adenylate cyclase activity in rat... | 8568818 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1971308 | 10.1021/jm00168a034 | Unchecked | 2 |
| 8568818 | 10.1021/jm9502100 | D(1A) dopamine receptor | 2 |
| 9171869 | 10.1021/jm970038v | D(1A) dopamine receptor | 1 |
| 1971308 | 10.1021/jm00168a034 | D(1A) dopamine receptor | 1 |
| 1971308 | 10.1021/jm00168a034 | D(2) dopamine receptor | 1 |
| 8568818 | 10.1021/jm9502100 | D(2) dopamine receptor | 1 |
| 8568818 | 10.1021/jm9502100 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine