Compound Detail
CHEMBL256797
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Basic Information
| ChEMBL ID | CHEMBL256797 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UGTFNEPYBJRAAT-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
317.4
MW (Da)
1.77
ALogP
5
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 5 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 8.82 | 8.82 | 1.5 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 5.58 | 5.58 | 2600.0 | 1 |
| L6 CHEMBL614793 | IC50 | 5.19 | 5.19 | 6400.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 1.5 | nM | 8.82 | Antiplasmodial activity against Plasmodium falciparum K1 | 19699098 |
| Trypanosoma brucei rhodesiense | IC50 | = | 12.0 | nM | 7.92 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 | 19699098 |
| Leishmania donovani | IC50 | = | 2600.0 | nM | 5.58 | Antileishmanial activity against Leishmania donovani axenic amastigotes | 18006310 |
| L6 | IC50 | = | 6400.0 | nM | 5.19 | Cytotoxicity against rat L6 cells | 18006310 |
| L6 | IC50 | = | 6400.0 | nM | 5.19 | Cytotoxicity against rat L6 cells | 19699098 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19699098 | 10.1016/j.bmc.2009.07.080 | Trypanosoma brucei rhodesiense | 3 |
| 18006310 | 10.1016/j.bmcl.2007.11.013 | Unchecked | 1 |
| 18006310 | 10.1016/j.bmcl.2007.11.013 | Leishmania donovani | 1 |
| 18006310 | 10.1016/j.bmcl.2007.11.013 | L6 | 1 |
| 19699098 | 10.1016/j.bmc.2009.07.080 | L6 | 1 |
| 19699098 | 10.1016/j.bmc.2009.07.080 | Unchecked | 1 |
| 19699098 | 10.1016/j.bmc.2009.07.080 | Plasmodium falciparum | 1 |
| 19699098 | 10.1016/j.bmc.2009.07.080 | Nucleic Acid | 1 |
Data from ChEMBL 36 via Core Engine