Compound Detail
CHEMBL213259
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 | CHEMBL213259 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QTCFWWXUDBNBMP-UHFFFAOYSA-N |
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
316.4
MW (Da)
2.38
ALogP
4
HBA
4
HBD
125.5
PSA (Ų)
0.44
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 8.0 | 6.5 | 10.1 | 2 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 7.33 | 5.83 | 47.0 | 2 |
| L6 CHEMBL614793 | IC50 | 4.59 | 4.5833 | 25600.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 10.1 | nM | 8.0 | Antiplasmodial activity against Plasmodium falciparum K1 | 19699098 |
| Trypanosoma brucei rhodesiense | IC50 | = | 47.0 | nM | 7.33 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 | 19699098 |
| Plasmodium falciparum | IC50 | = | 10000.0 | nM | 5.0 | Antiprotozoal activity against Plasmodium falciparum K1 | 16913722 |
| L6 | IC50 | = | 25600.0 | nM | 4.59 | Cytotoxicity against rat L6 cells | 19699098 |
| L6 | IC50 | = | 26600.0 | nM | 4.58 | Cytotoxicity against rat L6 cells | 16913722 |
| L6 | IC50 | = | 26000.0 | nM | 4.58 | Cytotoxicity against rat L6 cells | 18006310 |
| Trypanosoma brucei rhodesiense | IC50 | = | 47000.0 | nM | 4.33 | Antiprotozoal activity against Trypanosoma brucei rhodesiense STIB900 | 16913722 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19699098 | 10.1016/j.bmc.2009.07.080 | Trypanosoma brucei rhodesiense | 2 |
| 16913722 | 10.1021/jm060470p | Mus musculus | 1 |
| 16913722 | 10.1021/jm060470p | L6 | 1 |
| 16913722 | 10.1021/jm060470p | Plasmodium falciparum | 1 |
| 16913722 | 10.1021/jm060470p | Trypanosoma brucei rhodesiense | 1 |
| 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