Compound Detail
CHEMBL151697
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Basic Information
| ChEMBL ID | CHEMBL151697 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VBFQIUOSXHUWCT-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
184.2
MW (Da)
2.82
ALogP
2
HBA
1
HBD
41.8
PSA (Ų)
0.63
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 9.52 | 7.2625 | 0.3 | 4 |
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 5.17 | 5.17 | 6760.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 0.3 | nM | 9.52 | Displacement of [3H]2-BFI from I2IR in human brain frontal cortex assessed as bi... | 32150414 |
| Unchecked | Ki | = | 0.9333 | nM | 9.03 | Displacement of [3H]2-BFI from I2IR in human brain frontal cortex assessed as bi... | 32150414 |
| Unchecked | Ki | = | 5623.41 | nM | 5.25 | Displacement of [3H]2-BFI from I2IR in human brain frontal cortex assessed as bi... | 32150414 |
| Unchecked | Ki | = | 5600.0 | nM | 5.25 | Displacement of [3H]2-BFI from I2IR in human brain frontal cortex assessed as bi... | 32150414 |
| Alpha-2A adrenergic receptor | Ki | = | 6760.83 | nM | 5.17 | 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 | 6 |
| 14698196 | 10.1016/j.bmcl.2003.09.092 | Unchecked | 1 |
| 24900763 | 10.1021/ml400232p | Mus musculus | 1 |
| 32150414 | 10.1021/acs.jmedchem.9b02080 | Alpha-2A adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine