Compound Detail
CHEMBL367088
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Basic Information
| ChEMBL ID | CHEMBL367088 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QOOWDQCUBAWIJN-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
450.0
MW (Da)
3.90
ALogP
7
HBA
1
HBD
71.6
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.01
IC50 1 meas. best 6.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 8.01 | 8.01 | 9.8 | 2 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | IC50 | 6.87 | 6.87 | 135.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | Ki | = | 9.8 | nM | 8.01 | Inhibition of [3H]LSD binding to human 5-hydroxytryptamine 6 receptor expressed ... | 15771424 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 9.8 | nM | 8.01 | Antagonist activity at human recombinant 5HT6 receptor expressed in CHO cells | 24850589 |
| 5-hydroxytryptamine receptor 6 | IC50 | = | 135.0 | nM | 6.87 | Inhibition of human recombinant 5HT6 receptor expressed in CHO cells | 24850589 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15771424 | 10.1021/jm049615n | 5-hydroxytryptamine receptor 6 | 2 |
| 24850589 | 10.1021/jm5003952 | 5-hydroxytryptamine receptor 6 | 2 |
Data from ChEMBL 36 via Core Engine