Compound Detail
CHEMBL272259
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 | CHEMBL272259 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XMDQDPWQAWHNDK-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
225.3
MW (Da)
2.58
ALogP
1
HBA
3
HBD
61.9
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.42 | 5.42 | 3800.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 4.8 | 4.8 | 15900.0 | 1 |
| L6 CHEMBL614793 | IC50 | 4.36 | 4.36 | 43900.0 | 1 |
| Solute carrier family 22 member 2 CHEMBL1743122 | IC50 | 4.02 | 4.02 | 96200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 3800.0 | nM | 5.42 | Antiplasmodial activity against Plasmodium falciparum K1 in [3H]hypoxanthine inc... | 18247550 |
| Trypanosoma brucei rhodesiense | IC50 | = | 15900.0 | nM | 4.8 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 | 18247550 |
| L6 | IC50 | = | 43900.0 | nM | 4.36 | Cytotoxicity against rat L6 cells | 18247550 |
| Solute carrier family 22 member 2 | IC50 | = | 96200.0 | nM | 4.02 | Inhibition of human OCT2 expressed in HEK293 cells assessed as decrease in uptak... | 28811134 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28811134 | 10.1016/j.bmcl.2017.08.008 | Unchecked | 2 |
| 18247550 | 10.1021/jm7013088 | Trypanosoma brucei rhodesiense | 1 |
| 18247550 | 10.1021/jm7013088 | Plasmodium falciparum | 1 |
| 18247550 | 10.1021/jm7013088 | L6 | 1 |
| 28811134 | 10.1016/j.bmcl.2017.08.008 | Solute carrier family 22 member 2 | 1 |
| 28811134 | 10.1016/j.bmcl.2017.08.008 | Solute carrier family 22 member 3 | 1 |
| 28811134 | 10.1016/j.bmcl.2017.08.008 | Solute carrier family 22 member 1 | 1 |
Data from ChEMBL 36 via Core Engine