Compound Detail
CHEMBL4172859
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Basic Information
| ChEMBL ID | CHEMBL4172859 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JIIYCWWXDURHBI-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
391.5
MW (Da)
5.20
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.63
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.0 | 6.5875 | 100.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 100.0 | nM | 7.0 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum 3D7 ... | 29754074 |
| Plasmodium falciparum | IC50 | = | 150.0 | nM | 6.82 | Antiplasmodial activity against Plasmodium falciparum D6 after 72 hrs by MSF ass... | 29754074 |
| Plasmodium falciparum | IC50 | = | 230.0 | nM | 6.64 | Antiplasmodial activity against multidrug-resistant Plasmodium falciparum C235 a... | 29754074 |
| Plasmodium falciparum | IC50 | = | 1300.0 | nM | 5.89 | Antiplasmodial activity against multidrug-resistant Plasmodium falciparum FCR-3 ... | 29754074 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29754074 | 10.1016/j.ejmech.2018.04.038 | Salmonella typhimurium | 44 |
| 29754074 | 10.1016/j.ejmech.2018.04.038 | Plasmodium falciparum | 5 |
| 29754074 | 10.1016/j.ejmech.2018.04.038 | Unchecked | 2 |
| 29754074 | 10.1016/j.ejmech.2018.04.038 | Plasmodium berghei | 1 |
| 29754074 | 10.1016/j.ejmech.2018.04.038 | Hepatocyte | 1 |
| 29754074 | 10.1016/j.ejmech.2018.04.038 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine