Compound Detail
CHEMBL6509
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Basic Information
| ChEMBL ID | CHEMBL6509 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JXYGLMATGAAIBU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
146.2
MW (Da)
1.63
ALogP
1
HBA
2
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 2 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 5.46 | 5.46 | 3440.0 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 4.83 | 4.83 | 14700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 3440.0 | nM | 5.46 | Binding affinity at rat imidazoline receptor I-2 | 15013009 |
| Adrenergic receptor alpha-2 | Ki | = | 14700.0 | nM | 4.83 | Binding affinity at alpha-2 adrenergic receptors of rat. | 15013009 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15013009 | 10.1016/j.bmcl.2003.11.078 | Unchecked | 1 |
| 15013009 | 10.1016/j.bmcl.2003.11.078 | Adrenergic receptor alpha-2 | 1 |
Data from ChEMBL 36 via Core Engine