fluconazole (CHEBI:46081)

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CHEBI:46081 - fluconazole

ChEBI ID	CHEBI:46081
ChEBI Name	fluconazole
Stars
Definition	A member of the class of triazoles that is propan-2-ol substituted at position 1 and 3 by 1H-1,2,4-triazol-1-yl groups and at position 2 by a 2,4-difluorophenyl group. It is an antifungal drug used for the treatment of mucosal candidiasis and for systemic infections including systemic candidiasis, coccidioidomycosis, and cryptococcosis.
Secondary ChEBI IDs	CHEBI:5099, CHEBI:46079
Last Modified	15 October 2019
Downloads	Molfile

Formula	C13H12F2N6O
Net Charge	0
Average Mass	306.276
Monoisotopic Mass	306.10407
SMILES	OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F
InChI	InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2
InChIKey	RFHAOTPXVQNOHP-UHFFFAOYSA-N

Wikipedia

Roles Classification

Chemical Role:	environmental contaminant Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Roles:	xenobiotic A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means. antileishmanial agent An antiprotozoal drug used to treat or prevent infections caused by protozoan parasites that belong to the genus Leishmania. anti-HIV agent An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus. antiviral agent A substance that destroys or inhibits replication of viruses. antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria. antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. P450 inhibitor An enzyme inhibitor that interferes with the activity of cytochrome P450 involved in catalysis of organic substances. antifungal drug Any antifungal agent used to prevent or treat fungal infections in humans or animals. ergosterol biosynthesis inhibitor Any compound that inhibits one or more steps in the pathway leading to the synthesis of ergosterol. antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. antifungal drug Any antifungal agent used to prevent or treat fungal infections in humans or animals. antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. ergosterol biosynthesis inhibitor Any compound that inhibits one or more steps in the pathway leading to the synthesis of ergosterol. antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
Applications:	anti-inflammatory agent Any compound that has anti-inflammatory effects. antileishmanial agent An antiprotozoal drug used to treat or prevent infections caused by protozoan parasites that belong to the genus Leishmania. antiinfective agent A substance used in the prophylaxis or therapy of infectious diseases. antihypertensive agent Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism. antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. antifungal drug Any antifungal agent used to prevent or treat fungal infections in humans or animals. antifungal drug Any antifungal agent used to prevent or treat fungal infections in humans or animals.

ChEBI Ontology

Outgoing Relation(s)
	fluconazole (CHEBI:46081) has functional parent 1,3-difluorobenzene (CHEBI:38584)
	fluconazole (CHEBI:46081) has parent hydride 1H-1,2,4-triazole (CHEBI:35550)
	fluconazole (CHEBI:46081) has role anti-HIV agent (CHEBI:64946)
	fluconazole (CHEBI:46081) has role anti-inflammatory agent (CHEBI:67079)
	fluconazole (CHEBI:46081) has role antibacterial agent (CHEBI:33282)
	fluconazole (CHEBI:46081) has role antifungal agent (CHEBI:35718)
	fluconazole (CHEBI:46081) has role antihypertensive agent (CHEBI:35674)
	fluconazole (CHEBI:46081) has role antiinfective agent (CHEBI:35441)
	fluconazole (CHEBI:46081) has role antileishmanial agent (CHEBI:70868)
	fluconazole (CHEBI:46081) has role antineoplastic agent (CHEBI:35610)
	fluconazole (CHEBI:46081) has role antiviral agent (CHEBI:22587)
	fluconazole (CHEBI:46081) has role environmental contaminant (CHEBI:78298)
	fluconazole (CHEBI:46081) has role P450 inhibitor (CHEBI:50183)
	fluconazole (CHEBI:46081) has role xenobiotic (CHEBI:35703)
	fluconazole (CHEBI:46081) is a conazole antifungal drug (CHEBI:87071)
	fluconazole (CHEBI:46081) is a difluorobenzene (CHEBI:38582)
	fluconazole (CHEBI:46081) is a tertiary alcohol (CHEBI:26878)
	fluconazole (CHEBI:46081) is a triazole antifungal drug (CHEBI:87101)
Incoming Relation(s)
Incoming Relation(s)	Fosfluconazole (CHEBI:31634) has functional parent fluconazole (CHEBI:46081)

IUPAC Name
2-(2,4-difluorophenyl)-1,3-bis-(1H-1,2,4-triazol-1-yl)propan-2-ol

INNs	Source
fluconazol	ChemIDplus
fluconazole	ChemIDplus
fluconazole	WHO MedNet
fluconazolum	ChemIDplus

Synonyms	Source
2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL	PDBeChem
2,4-difluoro-α,α-bis(1H-1,2,4-triazol-1-ylmethyl)benzyl alcohol	ChemIDplus
Alkanazole	ChEMBL
BAYT-006267	ChEMBL
BAYT006267	ChEMBL
Elazor	ChemIDplus

Brand Names	Source
Biozole	ChEBI
Canesten oral	ChEMBL
Diflucan	ChEBI
Diflucan one	ChEMBL
Triflucan	ChEBI

UniProt Name	Source
fluconazole	UniProt

Manual Xrefs	Databases
1187	DrugCentral
D00322	KEGG DRUG
DB00196	DrugBank
Fluconazole	Wikipedia
GB2099818	Patent
HMDB0014342	HMDB
LSM-2106	LINCS
TPF	PDBeChem
US4404216	Patent

Registry Numbers	Sources
Beilstein:4269710	Beilstein
Reaxys:7311650	Reaxys
CAS:86386-73-4	ChemIDplus

Citations