Compound Detail
CHEMBL3216698
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Basic Information
| ChEMBL ID | CHEMBL3216698 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XOBMEKWOKHDAPN-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1199133 |
| Active Moiety | CHEMBL1199133 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
323.4
MW (Da)
1.84
ALogP
6
HBA
4
HBD
138.4
PSA (Ų)
0.43
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.61 | 7.61 | 24.6 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 6.75 | 6.75 | 176.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 24.6 | nM | 7.61 | Antiplasmodial activity against Plasmodium falciparum K1 | 20403703 |
| Trypanosoma brucei rhodesiense | IC50 | = | 176.0 | nM | 6.75 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 | 20403703 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20403703 | 10.1016/j.bmc.2010.03.058 | Trypanosoma brucei rhodesiense | 3 |
| 20403703 | 10.1016/j.bmc.2010.03.058 | Nucleic Acid | 1 |
| 20403703 | 10.1016/j.bmc.2010.03.058 | Plasmodium falciparum | 1 |
| 20403703 | 10.1016/j.bmc.2010.03.058 | L6 | 1 |
Data from ChEMBL 36 via Core Engine