Compound Detail
CHEMBL180945
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Basic Information
| ChEMBL ID | CHEMBL180945 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AJNBAJOZMNCQBZ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1181573 |
| Active Moiety | CHEMBL1181573 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
302.4
MW (Da)
3.84
ALogP
2
HBA
1
HBD
15.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 7.46 | 7.46 | 35.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | Ki | = | 35.0 | nM | 7.46 | Binding affinity against 5 Hydroxy tryptamine 6 receptor | 15745826 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15745826 | 10.1016/j.bmcl.2005.01.031 | 5-hydroxytryptamine receptor 6 | 1 |
Data from ChEMBL 36 via Core Engine