Compound Detail
CHEMBL379577
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Basic Information
| ChEMBL ID | CHEMBL379577 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MGGYTEUFROQSFU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
374.4
MW (Da)
3.61
ALogP
4
HBA
4
HBD
118.2
PSA (Ų)
0.39
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 4.43 | 4.43 | 37000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense | IC50 | = | 15000.0 | nM | 4.82 | Antiprotozoal activity against Trypanosoma brucei rhodesiense STIB900 | 16913722 |
| Plasmodium falciparum | IC50 | = | 37000.0 | nM | 4.43 | Antiprotozoal activity against Plasmodium falciparum K1 | 16913722 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19786604 | 10.1128/aac.00422-09 | Trypanosoma evansi | 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 |
Data from ChEMBL 36 via Core Engine