Compound Detail
CHEMBL100434
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Basic Information
| ChEMBL ID | CHEMBL100434 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FXCQFMQQYXADPE-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
431.5
MW (Da)
3.12
ALogP
5
HBA
2
HBD
77.1
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 7.45 | 7.45 | 35.5 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | Ki | 5.02 | 5.02 | 9549.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1D adrenergic receptor | Ki | = | 35.48 | nM | 7.45 | Displacement of [125I]BE-2254 from human adrenergic Alpha-1D receptor expressed ... | 21514979 |
| Alpha-1B adrenergic receptor | Ki | = | 9549.93 | nM | 5.02 | In vitro binding affinity at human Alpha-1B adrenergic receptor. | 12825930 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12825930 | 10.1021/jm0307741 | Alpha-1A adrenergic receptor | 1 |
| 12825930 | 10.1021/jm0307741 | Alpha-1B adrenergic receptor | 1 |
| 12825930 | 10.1021/jm0307741 | Alpha-1D adrenergic receptor | 1 |
| 21514979 | 10.1016/j.ejmech.2011.03.054 | Alpha-1D adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine