Compound Detail
CHEMBL211522
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CCN(CC)C[C@@H](O)COc1cccc(N2C(=O)/C(=N/c3cccc(C(F)(F)F)c3)c3ccccc32)c1
Basic Information
| ChEMBL ID | CHEMBL211522 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FDXFYSXCGJORLT-OAQRXKCOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
511.5
MW (Da)
5.59
ALogP
5
HBA
1
HBD
65.4
PSA (Ų)
0.41
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Galanin receptor type 3 CHEMBL2731 | Ki | 6.54 | 6.54 | 290.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Galanin receptor type 3 | Ki | = | 290.0 | nM | 6.54 | Displacement of [125I]galanin from human galanin Gal3 receptor | 16730981 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16730981 | 10.1016/j.bmcl.2006.05.025 | Galanin receptor type 3 | 1 |
Data from ChEMBL 36 via Core Engine