Compound Detail
CHEMBL475813
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Basic Information
| ChEMBL ID | CHEMBL475813 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WPVMVODGPNYYEV-UHFFFAOYSA-N |
4
Targets
18
Activities
2
Assay Types
3
PK Parameters
20
Publications
0
Known Names
Molecular Properties
275.3
MW (Da)
3.33
ALogP
5
HBA
1
HBD
55.1
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 11 meas. best 7.6
EC50 7 meas. best 7.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase CHEMBL3486 | IC50 | 7.6 | 7.392 | 25.0 | 5 |
| Unchecked CHEMBL612545 | IC50 | 7.33 | 7.33 | 47.0 | 2 |
| Plasmodium falciparum CHEMBL364 | EC50 | 7.24 | 6.9271 | 58.0 | 7 |
| Plasmodium falciparum CHEMBL364 | IC50 | 7.1 | 6.955 | 79.0 | 2 |
| Dihydroorotate dehydrogenase (quinone), mitochondrial CHEMBL3588732 | IC50 | 5.21 | 4.785 | 6100.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 96.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 96.0 | mL.min-1.g-1 | Homo sapiens |
| T1/2 | 0.3 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3301486 | Unchecked | 8 |
| - | 10.6019/CHEMBL3301472 | Human immunodeficiency virus 1 | 7 |
| - | 10.6019/CHEMBL3301472 | NON-PROTEIN TARGET | 6 |
| 18522386 | 10.1021/jm8001026 | Plasmodium falciparum | 6 |
| 22621375 | 10.1021/jm300157n | Unchecked | 5 |
| 20485427 | 10.1038/nature09107 | Plasmodium falciparum | 4 |
| - | 10.6019/CHEMBL3137381 | Onchocerca lienalis | 4 |
| 18522386 | 10.1021/jm8001026 | Dihydroorotate dehydrogenase (quinone), mitochondrial | 3 |
| - | 10.6019/CHEMBL3301546 | Saccharomyces cerevisiae | 3 |
| - | 10.6019/CHEMBL2363022 | Schistosoma mansoni | 3 |
| 30703745 | 10.1016/j.ejmech.2019.01.027 | ADMET | 3 |
| 19296651 | 10.1021/jm801343r | Mus musculus | 2 |
| - | 10.6019/CHEMBL3301451 | Plasmodium falciparum | 2 |
| - | 10.6019/CHEMBL3301458 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 2 |
| 21517059 | 10.1021/jm200265b | No relevant target | 2 |
| - | 10.6019/CHEMBL3433997 | Solute carrier family 2, facilitated glucose transporter member 1 | 2 |
| - | 10.6019/CHEMBL3433997 | Hexose transporter 1 | 2 |
| 18522386 | 10.1021/jm8001026 | Dihydroorotate dehydrogenase | 2 |
| 19296651 | 10.1021/jm801343r | Liver microsomes | 2 |
| - | 10.6019/CHEMBL3433997 | Glucose transporter | 2 |
Data from ChEMBL 36 via Core Engine