Compound Detail
CHEMBL1949773
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Basic Information
| ChEMBL ID | CHEMBL1949773 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YNQPROHMYGZTJZ-NBLXOJGSSA-N |
| Parent Compound | CHEMBL1963026 |
| Active Moiety | CHEMBL1963026 |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
351.4
MW (Da)
2.64
ALogP
4
HBA
1
HBD
55.4
PSA (Ų)
0.90
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.55
IC50 2 meas. best 7.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 7.55 | 7.165 | 28.0 | 2 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | IC50 | 7.02 | 6.445 | 96.0 | 2 |
| 5-hydroxytryptamine receptor 6 CHEMBL3372 | Ki | 6.76 | 6.21 | 174.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | Ki | = | 28.0 | nM | 7.55 | Displacement of [3H]LSD from human recombinant 5HT6 receptor | 22226656 |
| 5-hydroxytryptamine receptor 6 | IC50 | = | 96.0 | nM | 7.02 | Antagonist activity at human 5HT6 receptor expressed in human astrocytoma cells ... | 22226656 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 166.0 | nM | 6.78 | Displacement of [3H]LSD from human recombinant 5HT6 receptor | 22226656 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 174.0 | nM | 6.76 | Displacement of [3H]LSD from rat recombinant 5HT6 receptor | 22226656 |
| 5-hydroxytryptamine receptor 6 | IC50 | = | 1363.0 | nM | 5.87 | Antagonist activity at human 5HT6 receptor expressed in human astrocytoma cells ... | 22226656 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 2181.0 | nM | 5.66 | Displacement of [3H]LSD from rat recombinant 5HT6 receptor | 22226656 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22226656 | 10.1016/j.bmcl.2011.12.026 | 5-hydroxytryptamine receptor 6 | 6 |
Data from ChEMBL 36 via Core Engine