voriconazole - PubChem Public Chemical Database

voriconazole - Compound Summary (CID 71616)

structure in first source

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Drug and Chemical Information

Medication Information

Pharmacological Action

Pharmacological Classification

Substance Information

Category

Exports

Drug and Chemical Information: (Total:1)

voriconazole

Medication Information

VFEND I.V.(voriconazole) for InjectionVFEND Tablets (voriconazole)VFEND (voriconazole) for Oral Suspension [Roerig]

VFEND (voriconazole), a triazole antifungal agent, is available as a lyophilized powder for solution for intravenous infusion, film-coated tablets for oral administration, and as a powder for oral suspension. The structural formula

Description	Clinical Pharmacology	Indication & Usage
Contraindications	Warnings	Precautions
Adverse Reactions	Overdosage	Dosage & Administration
How Supplied	Supplemental Patient Material

Pharmacological Action

Antifungal Agents - Substances that destroy fungi by suppressing their ability to grow or reproduce. They differ from FUNGICIDES, INDUSTRIAL because they defend against fungi present in human or animal tissues.

Pharmacological Classification

Chemical Actions and Uses

Pharmacologic Actions

Therapeutic Uses

Anti-Infective Agents

Antifungal Agents

Literature

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BioActivity Results:

Tested in BioAssays: All: 84 Inactive: 82
BioActivity Summary: This Compound

with Similar Compounds

AID: 1533 Source: PCMD
Rml C and D inhibition 384-well mixture HTS from 1536-well compound plates

AID: 1532 Source: PCMD
Rml C and D inhibition 384-well mixture HTS

AID: 1531 Source: NMMLSC
Multiplex HTS Assay for Inhibitors of MEK Kinase PB1 Domains, specifically MEK5 binding to MEK Kinase 2 Wildtype

AID: 1530 Source: NMMLSC
Multiplex HTS Assay for Inhibitors of MEK Kinase PB1 Domains, specifically MEK5 MEK Kinase 2 mutant

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Properties Computed from Structure:

Molecular Weight	349.31047 [g/mol]
Molecular Formula	C₁₆H₁₄F₃N₅O
XLogP3-AA	1.5
H-Bond Donor	1
H-Bond Acceptor	9
Rotatable Bond Count	5
Tautomer Count	3
Exact Mass	349.115045
MonoIsotopic Mass	349.115045
Topological Polar Surface Area	76.7
Heavy Atom Count	25
Formal Charge	0
Complexity	448
Isotope Atom Count	0
Defined Atom StereoCenter Count	2
Undefined Atom StereoCenter Count	0
Defined Bond StereoCenter Count	0
Undefined Bond StereoCenter Count	0
Covalently-Bonded Unit Count	1

Descriptors Computed from Structure:

IUPAC Name: (2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1,2,
4-triazol-1-yl)butan-2-ol
Canonical SMILES: CC(C1=NC=NC=C1F)C(CN2C=NC=N2)(C3=C(C=C(C=C3)F)F)O
Isomeric SMILES: C[C@@H](C1=NC=NC=C1F)[C@](CN2C=NC=N2)(C3=C(C=C(C=C3)F)F)O
InChI: 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

Compound Information:

CID 71616

Create Date: 2005-06-24

Related Compounds:

Same, Connectivity: 3 Links

Similar Compounds: 65 Links

Similar Conformers: 311 Links View Conformers