Compound Detail
CHEMBL82224
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Basic Information
| ChEMBL ID | CHEMBL82224 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VDWLCYCWLIKWBV-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
257.3
MW (Da)
2.88
ALogP
3
HBA
0
HBD
39.1
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas.
Ki 1 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 6.8 | 6.8 | 159.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | Ki | = | 159.0 | nM | 6.8 | Displacement of [3H]-LSD from human 5-HT6 receptor incubated for 1 hr by microbe... | 33328102 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12773052 | 10.1021/jm0211063 | MT4 | 1 |
| 12773052 | 10.1021/jm0211063 | Human immunodeficiency virus 1 | 1 |
| 16722636 | 10.1021/jm0512490 | Human immunodeficiency virus 1 | 1 |
| 19143528 | 10.1021/jm800720a | Fructose-1,6-bisphosphatase 1 | 1 |
| 19112024 | 10.1016/j.bmc.2008.11.075 | Human immunodeficiency virus 1 | 1 |
| 20488700 | 10.1016/j.bmcl.2010.04.132 | C8166 | 1 |
| 20488700 | 10.1016/j.bmcl.2010.04.132 | Human immunodeficiency virus 1 | 1 |
| 20488700 | 10.1016/j.bmcl.2010.04.132 | ADMET | 1 |
| 28789893 | 10.1016/j.bmcl.2017.07.081 | Plasmodium falciparum | 1 |
| 33328102 | 10.1016/j.ejmech.2020.112916 | 5-hydroxytryptamine receptor 6 | 1 |
Data from ChEMBL 36 via Core Engine