Compound Detail
CHEMBL145572
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Basic Information
| ChEMBL ID | CHEMBL145572 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZGRQUWOFHZWLLN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
306.3
MW (Da)
1.97
ALogP
5
HBA
4
HBD
138.7
PSA (Ų)
0.43
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 8.41 | 8.41 | 3.9 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 3.9 | nM | 8.41 | In vitro inhibitory activity against Plasmodium falciparum | 14561095 |
| Trypanosoma brucei rhodesiense | IC50 | = | 7.0 | nM | 8.15 | In vitro inhibitory activity against T. b. rhodesiense | 14561095 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14561095 | 10.1021/jm0302602 | Nucleic Acid | 2 |
| 14561095 | 10.1021/jm0302602 | Mus musculus | 2 |
| 14561095 | 10.1021/jm0302602 | Trypanosoma brucei rhodesiense | 1 |
| 14561095 | 10.1021/jm0302602 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine