Compound Detail
CHEMBL3786693
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Basic Information
| ChEMBL ID | CHEMBL3786693 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YZWVCKIHPIIMEV-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
363.5
MW (Da)
2.17
ALogP
4
HBA
2
HBD
100.2
PSA (Ų)
0.49
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 8.3
Ki 1 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Kd | 8.3 | 8.3 | 5.0 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 8.15 | 8.15 | 7.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | Kd | = | 5.012 | nM | 8.3 | Antagonist activity at human recombinant 5-HT6 receptor expressed in CHO cells a... | 26876931 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 7.1 | nM | 8.15 | Displacement of [3H]-N-Methyl-Lysergic acid diethylamide from human 5-HT6 recept... | 26876931 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26876931 | 10.1016/j.bmcl.2016.02.001 | LLC-PK1 | 2 |
| 26876931 | 10.1016/j.bmcl.2016.02.001 | 5-hydroxytryptamine receptor 6 | 2 |
| 26876931 | 10.1016/j.bmcl.2016.02.001 | Hepatocyte | 2 |
Data from ChEMBL 36 via Core Engine