Compound Detail
CHEMBL238441
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 | CHEMBL238441 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MPMTUIGMIZXZOT-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
412.5
MW (Da)
4.75
ALogP
6
HBA
1
HBD
65.5
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.19 | 5.19 | 6500.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 4.99 | 4.6 | 10300.0 | 2 |
| Leishmania donovani CHEMBL367 | IC50 | 4.98 | 4.98 | 10500.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 4.66 | 4.66 | 22000.0 | 1 |
| L6 CHEMBL614793 | IC50 | 4.21 | 4.21 | 61600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 6500.0 | nM | 5.19 | Antiparasitic activity against chloroquine, pyrimethamine-resistant Plasmodium f... | 17949068 |
| Trypanosoma brucei rhodesiense | IC50 | = | 10300.0 | nM | 4.99 | Antiparasitic activity against Trypanosoma brucei rhodesiense STIB900 in blood | 17949068 |
| Leishmania donovani | IC50 | = | 10500.0 | nM | 4.98 | Antiparasitic activity against Leishmania donovani MHOM-ET-67/L82 in amastigotes... | 17949068 |
| Trypanosoma cruzi | IC50 | = | 22000.0 | nM | 4.66 | Antiparasitic activity against Trypanosoma cruzi Tulahuen T4 in amastigotes stag... | 17949068 |
| Trypanosoma brucei rhodesiense | IC50 | = | 61700.0 | nM | 4.21 | Antiparasitic activity against Trypanosoma brucei rhodesiense STIB900 in procycl... | 17949068 |
| L6 | IC50 | = | 61600.0 | nM | 4.21 | Cytotoxicity against rat L6 cells | 17949068 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17949068 | 10.1021/jm700938n | Trypanosoma brucei rhodesiense | 2 |
| 17949068 | 10.1021/jm700938n | Trypanosoma cruzi | 1 |
| 17949068 | 10.1021/jm700938n | Leishmania donovani | 1 |
| 17949068 | 10.1021/jm700938n | Plasmodium falciparum | 1 |
| 17949068 | 10.1021/jm700938n | L6 | 1 |
Data from ChEMBL 36 via Core Engine