Compound Detail
CHEMBL294083
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL294083 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RDAXAGXJSCEYLT-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
326.8
MW (Da)
3.15
ALogP
4
HBA
1
HBD
33.1
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.27
Ki 2 meas. best 9.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor CHEMBL2094116 | Ki | 9.5 | 9.5 | 0.3 | 2 |
| Plasmodium falciparum CHEMBL364 | IC50 | 7.27 | 7.24 | 54.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor | Ki | = | 0.3162 | nM | 9.5 | In vitro by displacement of [3H]LY-278584 from 5-hydroxytryptamine 3 receptor on... | 9046349 |
| Serotonin 3 (5-HT3) receptor | Ki | = | 0.3162 | nM | 9.5 | Rat 5-hydroxytryptamine 3 receptor (5-HT3) antagonist | 9622544 |
| Plasmodium falciparum | IC50 | = | 54.0 | nM | 7.27 | Antiplasmodial activity against Plasmodium falciparum K1 incubated for 48 hrs by... | 37357390 |
| Plasmodium falciparum | IC50 | = | 62.0 | nM | 7.21 | Antiplasmodial activity against Plasmodium falciparum NF54 incubated for 48 hrs ... | 37357390 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37357390 | 10.1021/acs.jmedchem.3c00206 | Plasmodium falciparum | 2 |
| 9046349 | 10.1021/jm960442e | Serotonin 3 (5-HT3) receptor | 1 |
| 9046349 | 10.1021/jm960442e | Rattus norvegicus | 1 |
| 9046349 | 10.1021/jm960442e | 5-hydroxytryptamine receptor 1A | 1 |
| 9046349 | 10.1021/jm960442e | 5-hydroxytryptamine receptor 2A | 1 |
| 9046349 | 10.1021/jm960442e | 5-hydroxytryptamine receptor 4 | 1 |
| 9046349 | 10.1021/jm960442e | D(2) dopamine receptor | 1 |
| 9622544 | 10.1021/jm970745o | Serotonin 3 (5-HT3) receptor | 1 |
Data from ChEMBL 36 via Core Engine