Compound Detail
CHEMBL1256566
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Basic Information
| ChEMBL ID | CHEMBL1256566 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IXRPDYSTGHYEBR-VNQPRFMTSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
254.3
MW (Da)
3.32
ALogP
2
HBA
1
HBD
37.9
PSA (Ų)
0.91
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-2C adrenergic receptor CHEMBL1916 | Ki | 8.81 | 8.81 | 1.5 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 8.4 | 8.4 | 4.0 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | Ki | 8.19 | 8.19 | 6.5 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | Ki | 7.94 | 7.94 | 11.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-2C adrenergic receptor | Ki | = | 1.549 | nM | 8.81 | Displacement of [3H]-RX821002 from human adrenergic Alpha-2C receptor expressed ... | 20809632 |
| Alpha-2A adrenergic receptor | Ki | = | 3.981 | nM | 8.4 | Displacement of [3H]-RX821002 from human adrenergic alpha2A receptor expressed i... | 20809632 |
| Alpha-2B adrenergic receptor | Ki | = | 6.457 | nM | 8.19 | Displacement of [3H]-RX821002 from human adrenergic alpha2B receptor expressed i... | 20809632 |
| Alpha-1B adrenergic receptor | Ki | = | 11.48 | nM | 7.94 | Displacement of [3H]-prazosin from human adrenergic alpha-1b receptor expressed ... | 20809632 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20809632 | 10.1021/jm1006269 | Mus musculus | 3 |
| 20809632 | 10.1021/jm1006269 | Alpha-2A adrenergic receptor | 2 |
| 20809632 | 10.1021/jm1006269 | Alpha-2C adrenergic receptor | 1 |
| 20809632 | 10.1021/jm1006269 | Alpha-2B adrenergic receptor | 1 |
| 20809632 | 10.1021/jm1006269 | Alpha-1B adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine