Compound Detail
CHEMBL3216295
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Basic Information
| ChEMBL ID | CHEMBL3216295 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GUPAGPPZVADZOX-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1789416 |
| Active Moiety | CHEMBL1789416 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
368.4
MW (Da)
3.48
ALogP
4
HBA
4
HBD
117.6
PSA (Ų)
0.33
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 8.89 | 8.89 | 1.3 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 1.3 | nM | 8.89 | Antiparasitic activity against Plasmodium falciparum K1 | 21421317 |
| Trypanosoma brucei rhodesiense | IC50 | = | 15.0 | nM | 7.82 | Antiparasitic activity against Trypanosoma brucei rhodesiense STIB900 | 21421317 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21421317 | 10.1016/j.bmc.2011.02.045 | Trypanosoma brucei rhodesiense | 3 |
| 21421317 | 10.1016/j.bmc.2011.02.045 | Unchecked | 2 |
| 21421317 | 10.1016/j.bmc.2011.02.045 | Plasmodium falciparum | 1 |
| 21421317 | 10.1016/j.bmc.2011.02.045 | L6 | 1 |
| 21421317 | 10.1016/j.bmc.2011.02.045 | Poly(dA-dT)oligonucleotide | 1 |
Data from ChEMBL 36 via Core Engine