Compound Detail
CHEMBL3609360
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Basic Information
| ChEMBL ID | CHEMBL3609360 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IVAFCEYIMKCAJY-UHFFFAOYSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
391.5
MW (Da)
4.93
ALogP
2
HBA
1
HBD
22.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.21
IC50 1 meas. best 6.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1B adrenergic receptor CHEMBL315 | Ki | 9.21 | 9.21 | 0.6 | 1 |
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 7.8 | 7.8 | 16.0 | 1 |
| Alpha-1A adrenergic receptor CHEMBL319 | Ki | 7.62 | 7.62 | 24.0 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 7.05 | 7.05 | 90.0 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | IC50 | 6.25 | 6.25 | 560.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1B adrenergic receptor | Ki | = | 0.61 | nM | 9.21 | Displacement of [3H]prazosin from alpha1B adrenoceptor in rat liver membranes | 26238322 |
| Alpha-1D adrenergic receptor | Ki | = | 16.0 | nM | 7.8 | Binding affinity to human recombinant alpha1D adrenoceptor | 26238322 |
| Alpha-1A adrenergic receptor | Ki | = | 24.0 | nM | 7.62 | Displacement of [3H]prazosin from alpha1A adrenoceptor in rat submaxillary gland... | 26238322 |
| Adrenergic receptor alpha-2 | Ki | = | 90.0 | nM | 7.05 | Binding affinity to alpha2 adrenoceptor in rat cerebral cortex | 26238322 |
| Alpha-1B adrenergic receptor | IC50 | = | 560.0 | nM | 6.25 | Antagonist activity at human alpha1B adrenoceptor assessed as inhibition of nore... | 26238322 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26238322 | 10.1016/j.bmcl.2015.07.046 | Unchecked | 4 |
| 26238322 | 10.1016/j.bmcl.2015.07.046 | Alpha-1B adrenergic receptor | 2 |
| 26238322 | 10.1016/j.bmcl.2015.07.046 | Alpha-1D adrenergic receptor | 1 |
| 26238322 | 10.1016/j.bmcl.2015.07.046 | Adrenergic receptor alpha-2 | 1 |
| 26238322 | 10.1016/j.bmcl.2015.07.046 | Adrenergic receptor beta | 1 |
| 26238322 | 10.1016/j.bmcl.2015.07.046 | Alpha-1A adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine