Compound Detail
CHEMBL1744291
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Basic Information
| ChEMBL ID | CHEMBL1744291 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CPQKGZDPUKHSSE-WLHGVMLRSA-N |
| Parent Compound | CHEMBL171772 |
| Active Moiety | CHEMBL171772 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
178.3
MW (Da)
2.37
ALogP
2
HBA
1
HBD
28.7
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 9.33 | 9.33 | 0.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1D adrenergic receptor | Ki | = | 0.47 | nM | 9.33 | In vitro binding affinity against alpha-2D adrenergic receptor of male Wistar ra... | 11300868 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11300868 | 10.1021/jm0003891 | Rattus norvegicus | 2 |
| 11300868 | 10.1021/jm0003891 | Alpha-1D adrenergic receptor | 1 |
| 11300868 | 10.1021/jm0003891 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine