Compound Detail
CHEMBL553794
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Basic Information
| ChEMBL ID | CHEMBL553794 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WTHVGNDEIMLIHE-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
470.6
MW (Da)
4.14
ALogP
4
HBA
2
HBD
66.4
PSA (Ų)
0.51
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 8.45 | 8.4333 | 3.5 | 3 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.89 | 6.89 | 128.8 | 1 |
| 5-hydroxytryptamine receptor 4 CHEMBL5017 | Ki | 6.31 | 6.31 | 489.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 3.548 | nM | 8.45 | Binding affinity to human recombinant 5-hydroxytryptamine 7 receptor in mammalia... | 12014957 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 3.548 | nM | 8.45 | Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHO ce... | 18361484 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 4.0 | nM | 8.4 | Binding affinity towards human 5-hydroxytryptamine 7 receptor | 12825922 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 128.82 | nM | 6.89 | In vitro binding affinity at human recombinant 5-hydroxytryptamine 1A receptor i... | 12014957 |
| 5-hydroxytryptamine receptor 4 | Ki | = | 489.78 | nM | 6.31 | In vitro binding affinity at 5-hydroxytryptamine 4 receptor in guinea pig striat... | 12014957 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12825922 | 10.1021/jm030030n | 5-hydroxytryptamine receptor 7 | 1 |
| 12825922 | 10.1021/jm030030n | Serotonin 2 (5-HT2) receptor | 1 |
| 12014957 | 10.1021/jm0104264 | 5-hydroxytryptamine receptor 7 | 1 |
| 12014957 | 10.1021/jm0104264 | Serotonin 2 (5-HT2) receptor | 1 |
| 12014957 | 10.1021/jm0104264 | 5-hydroxytryptamine receptor 1A | 1 |
| 12014957 | 10.1021/jm0104264 | 5-hydroxytryptamine receptor 1B | 1 |
| 12014957 | 10.1021/jm0104264 | 5-hydroxytryptamine receptor 2C | 1 |
| 12014957 | 10.1021/jm0104264 | Serotonin 3 receptor (5HT3) | 1 |
| 12014957 | 10.1021/jm0104264 | 5-hydroxytryptamine receptor 4 | 1 |
| 12014957 | 10.1021/jm0104264 | 5-hydroxytryptamine receptor 6 | 1 |
| 18361484 | 10.1021/jm070279v | 5-hydroxytryptamine receptor 7 | 1 |
Data from ChEMBL 36 via Core Engine