Compound Detail
CHEMBL42751
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Basic Information
| ChEMBL ID | CHEMBL42751 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KCEIBYAXTBNNRZ-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
195.2
MW (Da)
1.01
ALogP
3
HBA
3
HBD
80.4
PSA (Ų)
0.50
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.83
Ki 1 meas. best 5.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor CHEMBL2094132 | Ki | 5.57 | 5.57 | 2710.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 4.83 | 4.83 | 14800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor | Ki | = | 2710.0 | nM | 5.57 | Binding affinity to 5-HT3 serotonin receptor in NG 108-15 neuroblastoma glioma c... | 11412989 |
| Plasmodium falciparum | IC50 | = | 14800.0 | nM | 4.83 | Antiplasmodial activity against Plasmodium falciparum K1 in [3H]hypoxanthine inc... | 18247550 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11412989 | 10.1016/s0960-894x(01)00291-8 | Serotonin 3 (5-HT3) receptor | 1 |
| 18247550 | 10.1021/jm7013088 | Trypanosoma brucei rhodesiense | 1 |
| 18247550 | 10.1021/jm7013088 | Plasmodium falciparum | 1 |
| 18247550 | 10.1021/jm7013088 | L6 | 1 |
Data from ChEMBL 36 via Core Engine