Compound Detail
CHEMBL209497
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Basic Information
| ChEMBL ID | CHEMBL209497 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HXCJZIBJTFITNI-QCKNELIISA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
479.5
MW (Da)
5.98
ALogP
4
HBA
0
HBD
45.1
PSA (Ų)
0.44
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Galanin receptor type 3 CHEMBL2731 | Ki | 8.3 | 8.3 | 5.0 | 1 |
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 7.11 | 7.11 | 78.0 | 1 |
| D(1B) dopamine receptor CHEMBL1850 | Ki | 6.03 | 6.03 | 939.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Galanin receptor type 3 | Ki | = | 5.0 | nM | 8.3 | Displacement of [125I]galanin from human galanin Gal3 receptor | 16730981 |
| Alpha-1A adrenergic receptor | Ki | = | 78.0 | nM | 7.11 | Binding affinity to human adrenergic alpha-1A receptor | 16730981 |
| D(1B) dopamine receptor | Ki | = | 939.0 | nM | 6.03 | Binding affinity to human dopamine D5 receptor | 16730981 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16730981 | 10.1016/j.bmcl.2006.05.025 | Unchecked | 1 |
| 16730981 | 10.1016/j.bmcl.2006.05.025 | Alpha-1A adrenergic receptor | 1 |
| 16730981 | 10.1016/j.bmcl.2006.05.025 | D(1B) dopamine receptor | 1 |
| 16730981 | 10.1016/j.bmcl.2006.05.025 | No relevant target | 1 |
| 16730981 | 10.1016/j.bmcl.2006.05.025 | Galanin receptor type 3 | 1 |
Data from ChEMBL 36 via Core Engine