Compound Detail
CHEMBL290118
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Basic Information
| ChEMBL ID | CHEMBL290118 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JGBTWNOVLISURM-OAHLLOKOSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
379.2
MW (Da)
3.62
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 9.15
Ki 1 meas. best 7.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | Kd | 9.15 | 9.15 | 0.7 | 1 |
| D(1A) dopamine receptor CHEMBL265 | Ki | 7.87 | 7.87 | 13.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | Kd | = | 0.7 | nM | 9.15 | In vitro binding affinity to the rat striatal homogenate. | 2525621 |
| D(1A) dopamine receptor | Ki | = | 13.4 | nM | 7.87 | In vitro binding affinity towards Dopamine receptor D1 by displacing [125I]FISCH... | 2525621 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2525621 | 10.1021/jm00127a005 | Rattus norvegicus | 1 |
| 2525621 | 10.1021/jm00127a005 | D(1A) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine