Compound Detail
CHEMBL2112986
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Basic Information
| ChEMBL ID | CHEMBL2112986 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PYXYXDOAMGMGFK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
452.0
MW (Da)
4.15
ALogP
7
HBA
1
HBD
71.6
PSA (Ų)
0.44
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 7.01 | 7.01 | 97.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | Ki | = | 97.3 | nM | 7.01 | Inhibition of [3H]LSD binding to human 5-hydroxytryptamine 6 receptor expressed ... | 15771424 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15771424 | 10.1021/jm049615n | 5-hydroxytryptamine receptor 6 | 2 |
Data from ChEMBL 36 via Core Engine