Compound Detail
CHEMBL584606
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Basic Information
| ChEMBL ID | CHEMBL584606 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SSHKNPUBWWFZGC-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
367.5
MW (Da)
2.30
ALogP
6
HBA
1
HBD
67.4
PSA (Ų)
0.85
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor CHEMBL319 | IC50 | 7.25 | 7.25 | 56.0 | 1 |
| Alpha-1B adrenergic receptor CHEMBL315 | IC50 | 6.99 | 6.99 | 102.0 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | IC50 | 6.5 | 6.5 | 320.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor | IC50 | = | 56.0 | nM | 7.25 | Displacement of [3H]prazosin from adrenergic alpha1A receptor in Wistar rat subm... | 19788200 |
| Alpha-1B adrenergic receptor | IC50 | = | 102.0 | nM | 6.99 | Displacement of [3H]prazosin from adrenergic Alpha-1B receptor in Wistar rat liv... | 19788200 |
| Alpha-2A adrenergic receptor | IC50 | = | 320.0 | nM | 6.5 | Displacement of [3H]MK9112 from human recombinant adrenergic alpha2A receptor ex... | 19788200 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19788200 | 10.1021/jm900458r | Mus musculus | 18 |
| 26361735 | 10.1016/j.bmc.2015.08.043 | Mus musculus | 4 |
| 19788200 | 10.1021/jm900458r | Alpha-1B adrenergic receptor | 2 |
| 19788200 | 10.1021/jm900458r | Alpha-1A adrenergic receptor | 2 |
| 19788200 | 10.1021/jm900458r | Alpha-2A adrenergic receptor | 2 |
| 19788200 | 10.1021/jm900458r | Alpha-2C adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine