Compound Detail
CHEMBL1630942
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Basic Information
| ChEMBL ID | CHEMBL1630942 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QXNTWXQFMCUIBK-LPMFXHHGSA-N |
5
Targets
8
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
406.5
MW (Da)
2.09
ALogP
6
HBA
2
HBD
99.9
PSA (Ų)
0.73
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 7.94
Kd 2 meas. best 7.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 7.94 | 7.94 | 11.5 | 1 |
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 7.81 | 7.81 | 15.5 | 1 |
| Alpha-1A adrenergic receptor CHEMBL319 | Kd | 7.79 | 7.79 | 16.2 | 1 |
| Alpha-1D adrenergic receptor CHEMBL326 | Kd | 7.67 | 7.67 | 21.4 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | Ki | 7.5 | 7.5 | 31.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor | Ki | = | 11.48 | nM | 7.94 | Displacement of [3H]prazosin from human alpha1A adrenoceptor expressed in CHO ce... | 20934789 |
| Alpha-1D adrenergic receptor | Ki | = | 15.49 | nM | 7.81 | Displacement of [3H]prazosin from human Alpha-1D adrenoceptor expressed in CHO c... | 20934789 |
| Alpha-1A adrenergic receptor | Kd | = | 16.22 | nM | 7.79 | Antagonist activity at alpha1A adrenoceptor in Wistar rat vas deferens assessed ... | 20934789 |
| Alpha-1D adrenergic receptor | Kd | = | 21.38 | nM | 7.67 | Antagonist activity at Alpha-1D adrenoceptor in Wistar rat thoracic aorta assess... | 20934789 |
| Alpha-1B adrenergic receptor | Ki | = | 31.62 | nM | 7.5 | Displacement of [3H]prazosin from human Alpha-1B adrenoceptor expressed in CHO c... | 20934789 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20934789 | 10.1016/j.ejmech.2010.09.042 | Unchecked | 12 |
| 20934789 | 10.1016/j.ejmech.2010.09.042 | Alpha-1D adrenergic receptor | 2 |
| 20934789 | 10.1016/j.ejmech.2010.09.042 | Alpha-1B adrenergic receptor | 2 |
| 20934789 | 10.1016/j.ejmech.2010.09.042 | Alpha-1A adrenergic receptor | 2 |
Data from ChEMBL 36 via Core Engine