Compound Detail
CHEMBL1935589
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Basic Information
| ChEMBL ID | CHEMBL1935589 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HKCRMSMUMPAIPI-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
313.4
MW (Da)
2.91
ALogP
4
HBA
1
HBD
59.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.57
IC50 1 meas. best 8.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 8.57 | 8.57 | 2.7 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | IC50 | 8.07 | 8.07 | 8.5 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3372 | Ki | 8.01 | 8.01 | 9.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | Ki | = | 2.7 | nM | 8.57 | Displacement of [3H]LSD from full length human 5HT6 receptor | 22153937 |
| 5-hydroxytryptamine receptor 6 | IC50 | = | 8.5 | nM | 8.07 | Antagonist activity at human recombinant 5-HT6 receptor expressed human astrocyt... | 22153937 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 9.8 | nM | 8.01 | Displacement of [3H]LSD from full length rat 5HT6 receptor | 22153937 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22153937 | 10.1016/j.bmcl.2011.11.050 | 5-hydroxytryptamine receptor 6 | 3 |
Data from ChEMBL 36 via Core Engine