Compound Detail
CHEMBL94017
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Basic Information
| ChEMBL ID | CHEMBL94017 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TXGBOXITEIMPJU-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
281.4
MW (Da)
3.04
ALogP
4
HBA
2
HBD
45.6
PSA (Ų)
0.91
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 8.0 | 8.0 | 10.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3223 | Ki | 7.45 | 7.45 | 35.5 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 7.36 | 7.36 | 43.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 | Ki | = | 10.0 | nM | 8.0 | Affinity for Alpha-2 adrenergic receptor of rat cortical membranes | 12482437 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 35.48 | nM | 7.45 | Inhibition of [3H]-5-CT binding to 5-hydroxytryptamine 7 receptor of rat cortica... | 12482437 |
| Adrenergic receptor alpha-1 | Ki | = | 43.65 | nM | 7.36 | Affinity for Alpha-1 adrenergic receptor of rat cortical membranes | 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