Compound Detail
CHEMBL544315
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Basic Information
| ChEMBL ID | CHEMBL544315 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | USTUIYCMSAYRLE-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1192985 |
| Active Moiety | CHEMBL1192985 |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
276.3
MW (Da)
2.90
ALogP
4
HBA
2
HBD
60.2
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 7.66 | 7.66 | 21.9 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 7.04 | 7.04 | 91.2 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3223 | Ki | 6.77 | 6.77 | 169.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 | Ki | = | 21.88 | nM | 7.66 | Affinity for Alpha-2 adrenergic receptor of rat cortical membranes | 12482437 |
| Adrenergic receptor alpha-1 | Ki | = | 91.2 | nM | 7.04 | Affinity for Alpha-1 adrenergic receptor of rat cortical membranes | 12482437 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 169.82 | nM | 6.77 | Inhibition of [3H]-5-CT binding to 5-hydroxytryptamine 7 receptor of rat cortica... | 12482437 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12482437 | 10.1016/s0960-894x(02)00925-3 | 5-hydroxytryptamine receptor 7 | 1 |
| 12482437 | 10.1016/s0960-894x(02)00925-3 | Adrenergic receptor alpha-1 | 1 |
| 12482437 | 10.1016/s0960-894x(02)00925-3 | Adrenergic receptor alpha-2 | 1 |
Data from ChEMBL 36 via Core Engine