Molecule Details
InChIKeyBCEHBSKCWLPMDN-MGPLVRAMSA-N
Compound NameVoriconazole
Canonical SMILESC[C@@H](c1ncncc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)10
Pfam Stratification Homologous
Avg pChEMBL6.63
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB00582
Drug NameVoriconazole
CAS Number137234-62-9
Groups approved investigational
ATC Codes J02AC03
DescriptionVoriconazole (Vfend, Pfizer) is a triazole antifungal medication used to treat serious fungal infections.[L15571] It is used to treat invasive fungal infections that are generally seen in patients who are immunocompromised. These include invasive candidiasis, invasive aspergillosis, and emerging fun...
Categories: 14-alpha Demethylase Inhibitors Anti-Infective Agents Antifungal Agents Antiinfectives for Systemic Use Antimycotics for Systemic Use Azole Antifungals Chemically-Induced Disorders Cytochrome P-450 CYP2B6 Inhibitors Cytochrome P-450 CYP2B6 Inhibitors (moderate) Cytochrome P-450 CYP2C19 Inhibitors Cytochrome P-450 CYP2C19 Inhibitors (weak) Cytochrome P-450 CYP2C19 Substrates Cytochrome P-450 CYP2C9 Inhibitors Cytochrome P-450 CYP2C9 Inhibitors (weak) Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Inhibitors (moderate) Cytochrome P-450 CYP3A4 Inhibitors (strong) Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A5 Inhibitors Cytochrome P-450 CYP3A5 Inhibitors (strong) Cytochrome P-450 CYP3A5 Substrates Cytochrome P-450 CYP3A7 Inhibitors Cytochrome P-450 CYP3A7 Inhibitors (strong) Cytochrome P-450 CYP3A7 Substrates Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Drugs causing inadvertant photosensitivity Enzyme Inhibitors Photosensitizing Agents Potential QTc-Prolonging Agents QTc Prolonging Agents Steroid Synthesis Inhibitors Triazole Derivatives Triazole and tetrazole derivatives Triazoles
Cross-references: BindingDB: 50333117 ChEBI: 10023 CHEMBL638 ChemSpider: 64684 Drugs Product Database (DPD): 13348 C07622 D00578 PDB: VOR PharmGKB: PA10233 PubChem:71616 PubChem:46506421 RxCUI: 121243 Therapeutic Targets Database: DAP001271 Wikipedia: Voriconazole ZINC: ZINC000000014864
Target Activities (10)
Target Gene Organism Category Pfam pChEMBL Type Source
Q9Y6A2 CYP46A1 Homo sapiens Human PF00067 7.5 IC50 ChEMBL
P20813 CYP2B6 Homo sapiens Human PF00067 6.4 Ki ChEMBL;BindingDB
P08684 CYP3A4 Homo sapiens Human PF00067 6.2 Ki ChEMBL
P20815 CYP3A5 Homo sapiens Human PF00067 6.2 Ki ChEMBL
P24462 CYP3A7 Homo sapiens Human PF00067 6.2 Ki ChEMBL
Q9HB55 CYP3A43 Homo sapiens Human PF00067 6.2 Ki ChEMBL
G4WW85 cyp51A Aspergillus niger Pathogen PF00067 7.2 Kd ChEMBL
Q9P8R0 CYP51 Aspergillus fumigatus Pathogen PF00067 7.2 Kd ChEMBL
P10613 ERG11 Candida albicans (strain SC5314 / ATCC MYA-2876) Pathogen PF00067 6.8 Kd ChEMBL;BindingDB
Q96W81 cyp51B Aspergillus fumigatus Pathogen PF00067 6.4 Kd ChEMBL;BindingDB
DrugBank Target Actions (16)
Target Gene Target Name Action Type
P08684 CYP3A4 Cytochrome P450 3A4 inhibitor enzymes
P11712 CYP2C9 Cytochrome P450 2C9 inhibitor enzymes
P20813 CYP2B6 Cytochrome P450 2B6 inhibitor enzymes
P20815 CYP3A5 Cytochrome P450 3A5 inhibitor enzymes
P24462 CYP3A7 Cytochrome P450 3A7 inhibitor enzymes
P33261 CYP2C19 Cytochrome P450 2C19 inhibitor enzymes
P08684 CYP3A4 Cytochrome P450 3A4 substrate enzymes
P11712 CYP2C9 Cytochrome P450 2C9 substrate enzymes
P20815 CYP3A5 Cytochrome P450 3A5 substrate enzymes
P23219 PTGS1 Prostaglandin G/H synthase 1 substrate enzymes
P24462 CYP3A7 Cytochrome P450 3A7 substrate enzymes
P31513 P31513 Flavin-containing monooxygenase 3 substrate enzymes
P33261 CYP2C19 Cytochrome P450 2C19 substrate enzymes
Q01740 Q01740 Flavin-containing monooxygenase 1 substrate enzymes
P10613 ERG11 Lanosterol 14-alpha demethylase antagonist targets
P10613 ERG11 Lanosterol 14-alpha demethylase inhibitor targets