Compound Detail
CHEMBL246078
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Basic Information
| ChEMBL ID | CHEMBL246078 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UPROBLPRPWYJGN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
377.4
MW (Da)
1.82
ALogP
5
HBA
1
HBD
61.9
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 8.9 | 8.9 | 1.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | Ki | = | 1.259 | nM | 8.9 | Displacement of [3H]LSD from human recombinant 5HT6 receptor expressed in HEK293... | 17485206 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17485206 | 10.1016/j.bmcl.2006.12.093 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 17485206 | 10.1016/j.bmcl.2006.12.093 | 5-hydroxytryptamine receptor 6 | 1 |
| 17485206 | 10.1016/j.bmcl.2006.12.093 | Nucleic Acid | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine