VIDOFLUDIMUS

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Synonyms
Status
Molecule Category Free-form
UNII 8Y1PJ3VG81
EPA CompTox DTXSID50431325

Structure

InChI Key XPRDUGXOWVXZLL-UHFFFAOYSA-N
Smiles COc1cccc(-c2ccc(NC(=O)C3=C(C(=O)O)CCC3)c(F)c2)c1
InChI
InChI=1S/C20H18FNO4/c1-26-14-5-2-4-12(10-14)13-8-9-18(17(21)11-13)22-19(23)15-6-3-7-16(15)20(24)25/h2,4-5,8-11H,3,6-7H2,1H3,(H,22,23)(H,24,25)

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H18FNO4
Molecular Weight 355.37
AlogP 4.0
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 75.63
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 26.0

Pharmacology

Mechanism of Action Action Reference
Dihydroorotate dehydrogenase inhibitor INHIBITOR PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- 134-134 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 134-134 - - -

Target Conservation

Protein: Dihydroorotate dehydrogenase
Description: Dihydroorotate dehydrogenase (quinone), mitochondrial
Organism : Homo sapiens
Q02127 ENSG00000102967

Cross References

Resources Reference
ChEMBL CHEMBL197194
DrugBank DB15446
FDA SRS 8Y1PJ3VG81
Guide to Pharmacology 9860
PDB D5H
PubChem 9820008
SureChEMBL SCHEMBL247888
ZINC ZINC000014960644
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