Compound Detail
CHEMBL193400
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Basic Information
| ChEMBL ID | CHEMBL193400 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IAOGIUYLCUOQQA-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
410.3
MW (Da)
3.59
ALogP
5
HBA
1
HBD
54.3
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 9.52 | 8.74 | 0.3 | 3 |
| 5-hydroxytryptamine receptor 6 CHEMBL3372 | Ki | 7.9 | 7.9 | 12.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | Ki | = | 0.3 | nM | 9.52 | Antagonist activity at human recombinant 5HT6 receptor expressed in CHO cells | 24850589 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 2.512 | nM | 8.6 | Displacement of [3H]LSD from human 5-hydroxytryptamine 6 receptor expressed in H... | 16143522 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 7.943 | nM | 8.1 | Binding affinity against 5-hydroxytryptamine 6 receptor of human caudate | 16143522 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 12.59 | nM | 7.9 | Binding affinity against 5-hydroxytryptamine 6 receptor of rat striatum | 16143522 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16143522 | 10.1016/j.bmcl.2005.06.107 | 5-hydroxytryptamine receptor 6 | 5 |
| 24850589 | 10.1021/jm5003952 | 5-hydroxytryptamine receptor 6 | 1 |
Data from ChEMBL 36 via Core Engine