Compound Detail
CHEMBL3741741
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Basic Information
| ChEMBL ID | CHEMBL3741741 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZZCQNODHORIHJA-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
426.4
MW (Da)
5.47
ALogP
4
HBA
1
HBD
64.2
PSA (Ų)
0.47
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 8.4 | 8.1533 | 4.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 4.0 | nM | 8.4 | Antimalarial activity against drug resistant Plasmodium falciparum W2 infected i... | - |
| Plasmodium falciparum | IC50 | = | 7.2 | nM | 8.14 | Antimalarial activity against drug resistant Plasmodium falciparum TM90C2B infec... | - |
| Plasmodium falciparum | IC50 | = | 12.0 | nM | 7.92 | Antimalarial activity against Plasmodium falciparum 3D7 infected in human erythr... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C5MD00062A | Plasmodium falciparum | 3 |
| - | 10.1039/C5MD00062A | ADMET | 2 |
| - | 10.1039/C5MD00062A | No relevant target | 2 |
| - | 10.1039/C5MD00062A | Dihydroorotate dehydrogenase (fumarate) | 1 |
| - | 10.1039/C5MD00062A | Hepatocyte | 1 |
| - | 10.1039/C5MD00062A | Liver microsome | 1 |
Data from ChEMBL 36 via Core Engine