Compound Detail
CHEMBL14199
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Basic Information
| ChEMBL ID | CHEMBL14199 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MOYXTVNKHXOQKG-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
476.6
MW (Da)
3.64
ALogP
7
HBA
1
HBD
70.6
PSA (Ų)
0.44
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 8.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor CHEMBL4892 | Ki | 8.9 | 8.9 | 1.2 | 1 |
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 8.15 | 8.15 | 7.2 | 1 |
| Alpha-1D adrenergic receptor CHEMBL326 | Ki | 8.09 | 8.09 | 8.2 | 1 |
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 8.07 | 8.07 | 8.5 | 1 |
| Alpha-1A adrenergic receptor CHEMBL319 | Ki | 8.02 | 8.02 | 9.6 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | Ki | 7.8 | 7.8 | 15.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor | Ki | = | 1.25 | nM | 8.9 | Binding affinity towards bovine Alpha-1A adrenergic receptor | 11354357 |
| Alpha-1D adrenergic receptor | Ki | = | 7.15 | nM | 8.15 | Binding affinity towards human Alpha-1D adrenergic receptor | 11354357 |
| Alpha-1D adrenergic receptor | Ki | = | 8.2 | nM | 8.09 | Binding affinity towards rat Alpha-1D adrenergic receptor | 11354357 |
| Alpha-1A adrenergic receptor | Ki | = | 8.49 | nM | 8.07 | Binding affinity for human Alpha-1A adrenergic receptor | 11354357 |
| Alpha-1A adrenergic receptor | Ki | = | 9.58 | nM | 8.02 | Binding affinity towards rat Alpha-1A adrenergic receptor | 11354357 |
| Alpha-1B adrenergic receptor | Ki | = | 15.8 | nM | 7.8 | Binding affinity towards human Alpha-1B adrenergic receptor | 11354357 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11354357 | 10.1016/s0960-894x(01)00159-7 | Alpha-1A adrenergic receptor | 3 |
| 11354357 | 10.1016/s0960-894x(01)00159-7 | Alpha-1D adrenergic receptor | 2 |
| 11354357 | 10.1016/s0960-894x(01)00159-7 | Alpha-1B adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine