Compound Detail
CHEMBL4555115
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Basic Information
| ChEMBL ID | CHEMBL4555115 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QAGVKVGTJPJOPP-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
247.2
MW (Da)
3.33
ALogP
2
HBA
1
HBD
33.6
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 6.1 | 6.1 | 794.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 5.77 | 5.77 | 1698.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 5.23 | 5.23 | 5888.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | Ki | = | 794.0 | nM | 6.1 | Displacement of [3H] LSD from human recombinant 5-HT6 receptor expressed in HEK2... | 30904783 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 1698.0 | nM | 5.77 | Displacement of [3H] ketanserin from human recombinant 5-HT2A receptor expressed... | 30904783 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 5888.0 | nM | 5.23 | Displacement of [3H]-5-CT from human recombinant 5-HT7B receptor expressed in HE... | 30904783 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30904783 | 10.1016/j.ejmech.2019.03.017 | 5-hydroxytryptamine receptor 1A | 1 |
| 30904783 | 10.1016/j.ejmech.2019.03.017 | 5-hydroxytryptamine receptor 2A | 1 |
| 30904783 | 10.1016/j.ejmech.2019.03.017 | 5-hydroxytryptamine receptor 6 | 1 |
| 30904783 | 10.1016/j.ejmech.2019.03.017 | 5-hydroxytryptamine receptor 7 | 1 |
| 30904783 | 10.1016/j.ejmech.2019.03.017 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine