Compound Detail
CHEMBL515939
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Basic Information
| ChEMBL ID | CHEMBL515939 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TVPSEBODOVXBNB-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
398.9
MW (Da)
3.98
ALogP
4
HBA
1
HBD
44.3
PSA (Ų)
0.61
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 8.15 | 8.15 | 7.0 | 2 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.34 | 6.34 | 454.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 6.34 | 6.34 | 454.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 7.0 | nM | 8.15 | Inhibition of human 5HT7 receptor expressed in HEK293 cells by competitive bindi... | 19237285 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 7.0 | nM | 8.15 | Displacement of [3H]5-HT from human 5HT7 receptor transfected in CFO-K1 cells af... | 25128671 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 454.0 | nM | 6.34 | Inhibition of rat hippocampus 5HT1A receptor by competitive binding assay | 19237285 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 454.0 | nM | 6.34 | Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor transfected in CFO-K1 c... | 25128671 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19237285 | 10.1016/j.bmcl.2009.02.008 | 5-hydroxytryptamine receptor 1A | 1 |
| 19237285 | 10.1016/j.bmcl.2009.02.008 | 5-hydroxytryptamine receptor 7 | 1 |
| 25128671 | 10.1016/j.ejmech.2014.08.023 | 5-hydroxytryptamine receptor 7 | 1 |
| 25128671 | 10.1016/j.ejmech.2014.08.023 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine