Compound Detail
CHEMBL3828604
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Basic Information
| ChEMBL ID | CHEMBL3828604 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZLKAPPDHSYUHHR-UHFFFAOYSA-N |
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
343.3
MW (Da)
4.35
ALogP
5
HBA
1
HBD
55.1
PSA (Ų)
0.59
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.64 | 7.64 | 23.0 | 5 |
| Dihydroorotate dehydrogenase (quinone), mitochondrial CHEMBL3588732 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 23.0 | nM | 7.64 | Antimalarial activity against chloroquine-resistant and mefloquine-sensitive Pla... | 27485600 |
| Plasmodium falciparum | IC50 | = | 23.0 | nM | 7.64 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum W2 i... | 27744189 |
| Plasmodium falciparum | IC50 | = | 23.0 | nM | 7.64 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum W2 i... | 27744189 |
| Plasmodium falciparum | IC50 | = | 23.0 | nM | 7.64 | Antimalarial activity against Chloroquine resistant Plasmodium falciparum W2 | 32771798 |
| Plasmodium falciparum | IC50 | = | 23.0 | nM | 7.64 | Antiplasmodial activity chloroquine-resistant against Plasmodium falciparum W2 b... | 38290351 |
| Unchecked | IC50 | = | 700.0 | nM | 6.16 | Inhibition of N-terminally truncated Plasmodium falciparum SUMO-tagged DHODH (15... | 27744189 |
| Dihydroorotate dehydrogenase (quinone), mitochondrial | IC50 | = | 700.0 | nM | 6.16 | Inhibition of Plasmodium falciparum DHODH | 38290351 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27744189 | 10.1016/j.ejmech.2016.09.073 | Unchecked | 5 |
| 27744189 | 10.1016/j.ejmech.2016.09.073 | Plasmodium falciparum | 2 |
| 38290351 | 10.1016/j.ejmech.2024.116163 | Plasmodium falciparum | 2 |
| 27485600 | 10.1016/j.bmc.2016.07.049 | Plasmodium falciparum | 1 |
| 27744189 | 10.1016/j.ejmech.2016.09.073 | Dihydroorotate dehydrogenase (quinone), mitochondrial | 1 |
| 32771798 | 10.1016/j.ejmech.2020.112652 | Plasmodium falciparum | 1 |
| 38290351 | 10.1016/j.ejmech.2024.116163 | Dihydroorotate dehydrogenase (quinone), mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine