Compound Detail
CHEMBL435534
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Basic Information
| ChEMBL ID | CHEMBL435534 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IECAIIIDXWJGQU-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
318.5
MW (Da)
4.67
ALogP
2
HBA
0
HBD
8.2
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 7.19 | 7.03 | 64.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | Ki | = | 64.0 | nM | 7.19 | Ability to displace [3H]LSD from human 5-hydroxytryptamine 6 receptor transientl... | 15050637 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 136.0 | nM | 6.87 | Displacement of [3H] LSD from human 5HT6 receptor expressed in HEK293 cells | 17239595 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15050637 | 10.1016/j.bmcl.2004.01.071 | 5-hydroxytryptamine receptor 6 | 1 |
| 17239595 | 10.1016/j.bmcl.2006.12.089 | 5-hydroxytryptamine receptor 6 | 1 |
Data from ChEMBL 36 via Core Engine