Compound Detail
CHEMBL61643
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Basic Information
| ChEMBL ID | CHEMBL61643 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QILUJNITRUUHBK-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
481.6
MW (Da)
4.60
ALogP
4
HBA
2
HBD
76.4
PSA (Ų)
0.46
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 8.24 | 8.24 | 5.7 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | Ki | 5.75 | 5.75 | 1800.0 | 1 |
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 5.32 | 5.32 | 4800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor | Ki | = | 5.7 | nM | 8.24 | In vitro binding affinity towards cloned human Alpha-1A adrenergic receptor | 11459670 |
| Alpha-1B adrenergic receptor | Ki | = | 1800.0 | nM | 5.75 | In vitro binding affinity towards cloned human Alpha-1B adrenergic receptor | 11459670 |
| Alpha-1D adrenergic receptor | Ki | = | 4800.0 | nM | 5.32 | In vitro binding affinity towards cloned human Alpha-1D adrenergic receptor | 11459670 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11459670 | 10.1016/s0960-894x(01)00320-1 | Alpha-1A adrenergic receptor | 1 |
| 11459670 | 10.1016/s0960-894x(01)00320-1 | Alpha-1B adrenergic receptor | 1 |
| 11459670 | 10.1016/s0960-894x(01)00320-1 | Alpha-1D adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine