Compound Detail
CHEMBL346492
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Basic Information
| ChEMBL ID | CHEMBL346492 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IIJWWDRFLXTECC-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
243.4
MW (Da)
3.98
ALogP
2
HBA
0
HBD
3.2
PSA (Ų)
0.68
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-2A adrenergic receptor CHEMBL4744 | Ki | 8.37 | 8.37 | 4.3 | 2 |
| Alpha-1A adrenergic receptor CHEMBL4892 | Ki | 7.79 | 7.79 | 16.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-2A adrenergic receptor | Ki | = | 4.266 | nM | 8.37 | Compound was evaluated for log 1/Ki at alpha-2 adrenergic receptor | 2831365 |
| Alpha-2A adrenergic receptor | Ki | = | 4.3 | nM | 8.37 | Affinity to alpha-2 adrenergic receptor by the displacement of [3H]clonidine fro... | 2831365 |
| Alpha-1A adrenergic receptor | Ki | = | 16.22 | nM | 7.79 | Compound was evaluated for log 1/Ki at alpha-1 adrenergic receptor | 2831365 |
| Alpha-1A adrenergic receptor | Ki | = | 16.1 | nM | 7.79 | Affinity to alpha-1 adrenergic receptor by the displacement of [3H]-prazosin fro... | 2831365 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2831365 | 10.1021/jm00398a025 | Alpha-1A adrenergic receptor | 2 |
| 2831365 | 10.1021/jm00398a025 | Alpha-2A adrenergic receptor | 2 |
| 2831365 | 10.1021/jm00398a025 | No relevant target | 1 |
| 2831365 | 10.1021/jm00398a025 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine