Compound Detail
CHEMBL1630939
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Basic Information
| ChEMBL ID | CHEMBL1630939 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZGUOYAOEHJPFST-LJQANCHMSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
470.6
MW (Da)
3.52
ALogP
6
HBA
2
HBD
99.9
PSA (Ų)
0.39
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 9.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 9.49 | 9.49 | 0.3 | 1 |
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 9.46 | 9.46 | 0.3 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | Ki | 8.68 | 8.68 | 2.1 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.0 | 6.0 | 1000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1D adrenergic receptor | Ki | = | 0.3236 | nM | 9.49 | Displacement of [3H]prazosin from human Alpha-1D adrenoceptor expressed in CHO c... | 20934789 |
| Alpha-1A adrenergic receptor | Ki | = | 0.3467 | nM | 9.46 | Displacement of [3H]prazosin from human alpha1A adrenoceptor expressed in CHO ce... | 20934789 |
| Alpha-1B adrenergic receptor | Ki | = | 2.089 | nM | 8.68 | Displacement of [3H]prazosin from human Alpha-1B adrenoceptor expressed in CHO c... | 20934789 |
| Unchecked | Ki | = | 1000.0 | nM | 6.0 | Selectivity ratio of Ki for human Alpha-1D adrenoceptor to Ki for human alpha1B ... | 20934789 |
| Unchecked | Ki | = | 1000.0 | nM | 6.0 | Selectivity ratio of Ki for human alpha1A adrenoceptor to Ki for human Alpha-1B ... | 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