Compound Detail
CHEMBL3261478
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Basic Information
| ChEMBL ID | CHEMBL3261478 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IYUQYZMILCFRJI-INIZCTEOSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
295.4
MW (Da)
2.19
ALogP
3
HBA
0
HBD
28.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 3A CHEMBL1899 | Ki | 7.17 | 7.15 | 67.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 3A | Ki | = | 67.6 | nM | 7.17 | Displacement of [9-methyl-3H]BRL-43694 from human 5-HT3A receptor after overnigh... | 24755431 |
| 5-hydroxytryptamine receptor 3A | Ki | = | 74.0 | nM | 7.13 | Radioligand Binding Assay: The relative affinity of the various compounds for th... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24755431 | 10.1016/j.bmcl.2014.03.074 | 5-hydroxytryptamine receptor 3A | 1 |
Data from ChEMBL 36 via Core Engine