Drug Details
| General Information of the Drug (ID: DR4674) | ||||
|---|---|---|---|---|
| Name |
Voriconazole
|
|||
| Synonyms |
Voriconazole; 137234-62-9; Vfend; (2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol; UK-109496; UK 109496; UK-109,496; UNII-JFU09I87TR; (2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol; C16H14F3N5O; (+/-)-Voriconazole; VCZ; CHEMBL638; JFU09I87TR; CPD000466350; (R-(R*,S*))-alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol; CHEBI:10023; (alphaR,betaS)-alpha-(2,4-Difluorophenyl)-5-fluoro-beta-methyl-alpha-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol; 4-Pyrimidineethanol, alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha-(1H-1,2,4-triazol-1-ylmethyl)-, (alphaR,betaS)-; VRC; Voriconazol; DSSTox_CID_26485; DSSTox_RID_81656; DSSTox_GSID_46485; (2R,3S)-2-(2,4-Difluorophenyl)-3-(5-fluoro-4-pyrimidinyl)-1-((1H)-1,2,4-triazol-1-yl)-butan-2-ol; (alphaR,betaS)-alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol; 4-Pyrimidineethanol, alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha-(1H-1,2,4-triazol-1-ylmethyl)-, (R-(R*,S*))-; Voriconazolum; Vorikonazole; Voriconazole [USAN:INN:BAN]; 188416-29-7; DRG-0301; SMR000466350; CAS-137234-62-9; Vfend (TN); VFEND I.V.; Pfizer; MFCD00905717; NCGC00164622-01; Voriconazole solution; Voriconazole, 98%; Voriconazole - Vfend; Voriconazole in combination with MGCD290; Voriconazole, (+/-)-; SCHEMBL36233; 2R,3S-2-(2,4-Difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol; MLS000759464; MLS001424082; MLS006010028; DTXSID5046485; Voriconazole (JP17/USP/INN); ZINC14864; AMY8903; SYN3012; Voriconazole, >=98% (HPLC); BCPP000019; DTXSID201019420; HMS2051N09; HMS3260M22; HMS3713F12; Pharmakon1600-01502346; Tox21_112241; Tox21_500150; Voriconazole 2.0 mg/ml in Methanol; AC-823; BDBM50333117; MFCD20488064; NSC759888; s1442; AKOS005145705; Tox21_112241_1; CCG-100941; CS-1227; DB00582; KS-1157; NC00191; NSC 759888; NSC-759888; SB17419; NCGC00164622-02; NCGC00164622-04; NCGC00164622-06; NCGC00260835-01; HY-76200; I992; Voriconazole related compound A RS [USP]; AB0013963; SW197571-2; C07622; D00578; J10329; W-5208; AB00639948-04; AB00639948-06; AB00639948_07; AB00639948_08; Voriconazole, VETRANAL(TM), analytical standard; 234V629; Q412236; J-006986; Z2616414875; UNII-USG4B1CD29 component BCEHBSKCWLPMDN-MGPLVRAMSA-N; Voriconazole, European Pharmacopoeia (EP) Reference Standard; Voriconazole, United States Pharmacopeia (USP) Reference Standard; (2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol; 2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl) butan-2-ol; Voriconazole, Pharmaceutical Secondary Standard: Certified Reference Material; (2R,3S)-2-(2,4-Difluoro-phenyl)-3-(5-fluoro-pyrimidin-4-yl)-1-[1,2,4]triazol-1-yl-butan-2-ol; (2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoro-4-pyrimidinyl)-1-(1H-1,2,4-triazol-1-yl) butan-2-ol; (2R,3S)-2-(2,4-Difluorophenyl)-3-(5-fluoro-4-pyrimidinyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol; (2r,3s)-2-(2,4-difluorophenyl)-3-(5-fluoro-4-pyrimidinyl)-1-(1h-1,2,4-triazol-1-yl)butan-2-ol; 4-Pyrimidineethanol, alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha-(1H-1,2,4-triazol-1-ylmethyl)-, (alphaR,betaS)-rel-
Click to Show/Hide
|
|||
| Molecular Type |
Small molecule
|
|||
| Disease | Aspergillosis [ICD-11: 1F20] | Approved | [1] | |
| Structure |
|
Click to Download Mol2D MOL |
||
| ADMET Property |
Absorption Tmax
The time to maximum plasma concentration (Tmax) is 1-2 h
BDDCS Class
Biopharmaceutics Drug Disposition Classification System (BDDCS) Class 2: low solubility and high permeability
Bioavailability
The bioavailability of drug is 96%
Clearance
The clearance of drug is 5.25-7 L/h in healthy adults
Elimination
Voriconazole is eliminated via hepatic metabolism with less than 2% of the dose excreted unchanged in the urine
Half-life
The concentration or amount of drug in body reduced by one-half in 5.6 hours
Metabolism
The drug is metabolized via the hepatic
MRTD
The Maximum Recommended Therapeutic Dose (MRTD) of drug that ensured maximising efficacy and moderate side effect is 34.35442 micromolar/kg/day
Unbound Fraction
The unbound fraction of drug in plasma is 0.42%
Vd
The volume of distribution (Vd) of drug is 4.6 L/kg
Water Solubility
The ability of drug to dissolve in water is measured as 0.39 mg/mL
Click to Show/Hide
|
|||
| Click to Show/Hide the Molecular Information and External Link(s) of This Natural Product | ||||
| Formula |
C16H14F3N5O
|
|||
| PubChem CID | ||||
| Canonical SMILES |
CC(C1=NC=NC=C1F)C(CN2C=NC=N2)(C3=C(C=C(C=C3)F)F)O
|
|||
| InChI |
1S/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16+/m0/s1
|
|||
| InChIKey |
BCEHBSKCWLPMDN-MGPLVRAMSA-N
|
|||
| CAS Number |
CAS 188416-29-7
|
|||
| ChEBI ID | ||||
| TTD Drug ID | ||||
| DrugBank ID | ||||
| Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally | ||||||
|---|---|---|---|---|---|---|
| α. A List of Natural Product(s) Able to Enhance the Efficacy of This Drug | ||||||
| Anidulafungin | Aspergillus nidulans | Click to Show/Hide the Molecular Data of This NP | ||||
| Achieving Therapeutic Synergy | Click to Show/Hide | |||||
| Representative Experiment Reporting the Effect of This Combination | [2] | |||||
| Detail(s) |
Combination Info
click to show the detail info of this combination
|
|||||
| Molecule(s)
Regulation |
Up-regulation | Expression | CYP51A1 | Molecule Info |
Pathway MAP
|
|
| In-vitro Model | Aspergillus fumigatus | Microorganism model | Aspergillus fumigatus | |||
| Experimental
Result(s) |
The combination demonstrated synergy against the VCZ-R clinical isolate as well. | |||||
| Target and Pathway | ||||
|---|---|---|---|---|
| Target(s) | Candida Cytochrome P450 51 (Candi ERG11) | Molecule Info | [3] | |
