Compound Detail
CHEMBL1956900
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Basic Information
| ChEMBL ID | CHEMBL1956900 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MPFNVJVLRBBPHX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
232.3
MW (Da)
1.14
ALogP
4
HBA
1
HBD
42.9
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 6.35 | 6.35 | 446.7 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 6.3 | 6.3 | 501.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 446.68 | nM | 6.35 | Displacement of [3H]2-BFI from Sprague-Dawley rat I2 imidazoline binding site by... | 22370341 |
| Alpha-2A adrenergic receptor | Ki | = | 501.19 | nM | 6.3 | Displacement of [3H]RX821002 from human alpha2A adrenergic receptor expressed in... | 22370341 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22370341 | 10.1016/j.bmc.2012.02.016 | Mus musculus | 5 |
| 22370341 | 10.1016/j.bmc.2012.02.016 | Alpha-2A adrenergic receptor | 2 |
| 22370341 | 10.1016/j.bmc.2012.02.016 | Alpha-2B adrenergic receptor | 2 |
| 22370341 | 10.1016/j.bmc.2012.02.016 | Alpha-2C adrenergic receptor | 2 |
| 22370341 | 10.1016/j.bmc.2012.02.016 | Unchecked | 1 |
| 22370341 | 10.1016/j.bmc.2012.02.016 | Alpha-1A adrenergic receptor | 1 |
| 22370341 | 10.1016/j.bmc.2012.02.016 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine