Compound Detail
CHEMBL370779
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Basic Information
| ChEMBL ID | CHEMBL370779 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OPAMDWUUNKYGOR-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
341.4
MW (Da)
2.29
ALogP
5
HBA
1
HBD
54.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 9.52 | 9.308 | 0.3 | 5 |
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 | Displacement of [3H]-LSD from human recombinant 5-HT6 receptor expressed in CHOK... | 27560283 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 0.3 | nM | 9.52 | Displacement of [3H]-LSD from human 5HT6 receptor expressed in HEK293 cells meas... | 32949963 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 0.3162 | nM | 9.5 | Displacement of [3H]LSD from human 5-hydroxytryptamine 6 receptor expressed in H... | 16143522 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 1.0 | nM | 9.0 | Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells | 16183286 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 1.0 | nM | 9.0 | Binding affinity to 5HT6R (unknown origin) | 29291439 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16143522 | 10.1016/j.bmcl.2005.06.107 | 5-hydroxytryptamine receptor 6 | 1 |
| 16183286 | 10.1016/j.bmcl.2005.08.059 | 5-hydroxytryptamine receptor 6 | 1 |
| 27560283 | 10.1016/j.ejmech.2016.08.016 | 5-hydroxytryptamine receptor 6 | 1 |
| 27560283 | 10.1016/j.ejmech.2016.08.016 | Acetylcholinesterase | 1 |
| 27560283 | 10.1016/j.ejmech.2016.08.016 | Cholinesterase | 1 |
| 29291439 | 10.1016/j.ejmech.2017.12.053 | 5-hydroxytryptamine receptor 6 | 1 |
| 32949963 | 10.1016/j.ejmech.2020.112765 | 5-hydroxytryptamine receptor 6 | 1 |
| 32949963 | 10.1016/j.ejmech.2020.112765 | Amine oxidase [flavin-containing] B | 1 |
Data from ChEMBL 36 via Core Engine