Compound Detail
CHEMBL1796040
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Basic Information
| ChEMBL ID | CHEMBL1796040 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MYXXXOJPIMPYFF-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
460.4
MW (Da)
4.44
ALogP
4
HBA
0
HBD
43.9
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 7.31 | 7.31 | 49.0 | 1 |
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 7.2 | 7.2 | 63.1 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | Ki | 6.87 | 6.87 | 134.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor | Ki | = | 48.98 | nM | 7.31 | Displacement of [125I]BE-2254 from human adrenergic alpha1A receptor expressed i... | 21514979 |
| Alpha-1D adrenergic receptor | Ki | = | 63.1 | nM | 7.2 | Displacement of [125I]BE-2254 from human adrenergic Alpha-1D receptor expressed ... | 21514979 |
| Alpha-1B adrenergic receptor | Ki | = | 134.9 | nM | 6.87 | Displacement of [125I]BE-2254 from human adrenergic Alpha-1B receptor expressed ... | 21514979 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21514979 | 10.1016/j.ejmech.2011.03.054 | Alpha-1A adrenergic receptor | 1 |
| 21514979 | 10.1016/j.ejmech.2011.03.054 | Alpha-1B adrenergic receptor | 1 |
| 21514979 | 10.1016/j.ejmech.2011.03.054 | Alpha-1D adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine