Compound Detail
CHEMBL41103
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Basic Information
| ChEMBL ID | CHEMBL41103 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LOFCLFKSYRAAFZ-UHFFFAOYSA-N |
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
199.3
MW (Da)
1.53
ALogP
3
HBA
1
HBD
29.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 7 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 8.85 | 7.3125 | 1.4 | 4 |
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 4.37 | 4.37 | 42657.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 1.4 | nM | 8.85 | Displacement of [3H]2-BFI from I2IR in Sprague-Dawley rat brain cortex assessed ... | 32150414 |
| Unchecked | Ki | = | 128.82 | nM | 6.89 | Displacement of [3H]2-BFI from I2IR in human brain frontal cortex assessed as bi... | 32150414 |
| Unchecked | Ki | = | 128.0 | nM | 6.89 | Displacement of [3H]2-BFI from I2IR in human brain frontal cortex assessed as bi... | 32150414 |
| Unchecked | Ki | = | 238.6 | nM | 6.62 | Displacement of [3H]2-BFI from I2IR in Sprague-Dawley rat brain cortex assessed ... | 32150414 |
| Alpha-2A adrenergic receptor | Ki | = | 42657.95 | nM | 4.37 | Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incuba... | 32150414 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32150414 | 10.1021/acs.jmedchem.9b02080 | Unchecked | 10 |
| 2887657 | 10.1021/jm00392a005 | Adrenergic receptor alpha-2 | 2 |
| 2887657 | 10.1021/jm00392a005 | Mus musculus | 1 |
| 32150414 | 10.1021/acs.jmedchem.9b02080 | Alpha-2A adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine