Compound Detail
CHEMBL180221
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Basic Information
| ChEMBL ID | CHEMBL180221 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KNVNOBDURNSPNJ-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
386.9
MW (Da)
4.25
ALogP
4
HBA
0
HBD
42.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.15
Ki 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | IC50 | 9.15 | 9.15 | 0.7 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | IC50 | = | 0.7 | nM | 9.15 | Inhibitory concentration against 5-HT stimulated cAMP production in HeLa cells s... | 15603958 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 10.0 | nM | 8.0 | Binding affinity against cloned human 5-hydroxytryptamine 6 receptor expressed i... | 15603958 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15603958 | 10.1016/j.bmcl.2004.10.064 | 5-hydroxytryptamine receptor 6 | 3 |
Data from ChEMBL 36 via Core Engine