Compound Detail
CHEMBL4649411
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Basic Information
| ChEMBL ID | CHEMBL4649411 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PCRRUZVJDMFOOW-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
339.3
MW (Da)
2.71
ALogP
3
HBA
3
HBD
78.0
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.13
EC50 1 meas. best 7.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 7.36 | 7.36 | 44.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.13 | 6.885 | 74.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 44.0 | nM | 7.36 | Antimalarial activity against Plasmodium falciparum 3D7 infected in human red bl... | 32248693 |
| Unchecked | IC50 | = | 74.0 | nM | 7.13 | Inhibition of N-terminal His6-tagged Plasmodium falciparum DHODH expressed in Es... | 32248693 |
| Unchecked | IC50 | = | 230.0 | nM | 6.64 | Inhibition of N-terminal His6-tagged Plasmodium vivax DHODH expressed in Escheri... | 32248693 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32248693 | 10.1021/acs.jmedchem.0c00311 | Unchecked | 2 |
| 32248693 | 10.1021/acs.jmedchem.0c00311 | No relevant target | 2 |
| 32248693 | 10.1021/acs.jmedchem.0c00311 | ADMET | 2 |
| 32248693 | 10.1021/acs.jmedchem.0c00311 | Dihydroorotate dehydrogenase (quinone), mitochondrial | 1 |
| 32248693 | 10.1021/acs.jmedchem.0c00311 | Plasmodium falciparum | 1 |
| 32248693 | 10.1021/acs.jmedchem.0c00311 | Albumin | 1 |
Data from ChEMBL 36 via Core Engine