TPF

2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL

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is present as a standalone ligand in 18 entries

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Chemical Component Summary
Name	2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL
Synonyms	FLUCONAZOLE; ALPHA-(2,4-DIFLUOROPHENYL)-ALPHA-(1H-1,2,4-TRIAZOLE-1-YLMETHYL)-1H-1,2,4-TRIAZOLE-1-ETHANOL; ELAZOR; TRIFLUCAN; BIOZOLENE
Identifiers	2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol
Formula	C₁₃ H₁₂ F₂ N₆ O
Molecular Weight	306.271
Type	NON-POLYMER
Isomeric SMILES	c1cc(c(cc1F)F)C(Cn2cncn2)(Cn3cncn3)O
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

Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	0
Bond Count	36
Aromatic Bond Count	16

Drug Info: DrugBank

DrugBank ID	DB00196 ?
Name	Fluconazole
Groups	approved investigational
Description	Fluconazole, commonly known as _Diflucan_, is an antifungal drug used for the treatment of both systemic and superficial fungal infections in a variety of tissues. It was initially approved by the FDA in 1990. This drug is an _azole_ antifungal, in the same drug family as [ketoconazole] and [itraconazole]. Fluconazole has many advantages over the other antifungal drugs including the option of oral administration. The side effect profile of this drug is minimal. It has been demonstrated as an efficacious treatment for vaginal yeast infections in one single dose.[A174325]
Synonyms	Diflucan Fluconazole Triflucan Fluconazol Fluconazolum Difluconazole
Brand Names	Mar-fluconazole-150 Diflucan Fluconazole Injection Canesoral Combi Clotrimazole-fluconazole Combi PMS-fluconazole Monicure Clotrimaderm-fluconazole Combi-pack Teva-fluconazole Taro-fluconazole Fluconazole 4% / Ibuprofen 2% / Itraconazole 1% / Terbinafine HCl 4% Nu-fluconazole-150 Canesoral Fluconazole In Sodium Chloride Injection USP Fluconazole Omega Riva-fluconazole Fluconazole Fluconazole Injection Sdz Act Fluconazole Monicure Combo Fluconazole-150 Pro-fluconazole Ciclopirox 8% / Fluconazole 1% / Terbinafine HCl 1% Dom-fluconazole Fluconazole in Dextrose Diflucan One PHL-fluconazole Priva-fluconazole Apo-fluconazole-150 Novo-fluconazole Bio-fluconazole Extra Strength Clotrimazole Extra Fort -fluconazole Combi Direct Rx Canesoral Combi 1 Day PMS-fluconazole-150 Mylan-fluconazole Apo-fluconazole Novo-fluconazole-150 Fluconazole in Sodium Chloride Jamp-fluconazole Fluconazole 150 Co Fluconazole-150
Indication	Fluconazole can be administered in the treatment of the following fungal infections[L11043]: 1) Vaginal yeast infections caused by Candida 2) Systemic Candida infections 3) Both esophageal and oropharyngeal candidiasis 4) Cryptococcal meningitis 5) UTI (urinary tract infection) by Candida 6) Peritonitis (inflammation of the peritoneum) caused by Candida A note on fungal infection prophylaxis Patients receiving bone marrow transplantation who are treated with cytotoxic chemotherapy and/or radiation therapy may be predisposed to candida infections, and may receive fluconazole as prophylactic therapy.[L11043] A note on laboratory testing Obtaining specimens for fungal culture and other important laboratory studies such as serology or pathology is advised before starting fluconazole therapy in order to isolate the organisms to be eliminated through treatment. It is permissible to start therapy before the results are available, however, adjusting the therapy once laboratory results confirm the causative organism may be necessary.[L11043]
Categories	14-alpha Demethylase Inhibitors Agents causing hyperkalemia Anti-Infective Agents Antifungal Agents Antifungals for Dermatological Use Antifungals for Topical Use Antiinfectives for Systemic Use Antimycotics for Systemic Use Azole Antifungals Cytochrome P-450 CYP2C19 Inhibitors Cytochrome P-450 CYP2C19 inhibitors (strength unknown) Cytochrome P-450 CYP2C9 Inhibitors Cytochrome P-450 CYP2C9 Inhibitors (strong) Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Inhibitors (moderate) Cytochrome P-450 CYP3A5 Inhibitors Cytochrome P-450 CYP3A5 Inhibitors (weak) Cytochrome P-450 Enzyme Inhibitors Dermatologicals Drugs that are Mainly Renally Excreted Enzyme Inhibitors Hormone Antagonists Hormones, Hormone Substitutes, and Hormone Antagonists Imidazole and Triazole Derivatives P-glycoprotein inhibitors Potential QTc-Prolonging Agents QTc Prolonging Agents Steroid Synthesis Inhibitors Triazole and tetrazole derivatives Triazole Derivatives Triazoles
ATC-Code	J01RA07 J02AC01 D01AC15
CAS number	86386-73-4

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Cytochrome P450 51	MAIVETVIDGINYFLSLSVTQQISILLGVPFVYNLVWQYLYSLRKDRAPL...	unknown	inhibitor
Cytochrome P450 3A5	MDLIPNLAVETWLLLAVSLVLLYLYGTRTHGLFKRLGIPGPTPLPLLGNV...	unknown	inhibitor
Cytochrome P450 3A4	MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNI...	unknown	inhibitor
Cytochrome P450 2C9	MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDI...	unknown	inhibitor
Cytochrome P450 2C19	MDPFVVLVLCLSCLLLLSIWRQSSGRGKLPPGPTPLPVIGNILQIDIKDV...	unknown	inhibitor
P-glycoprotein 1	MDLEGDRNGGAKKKNFFKLNNKSEKDKKEKKPTVSVFSMFRYSNWLDKLY...	unknown	inhibitor
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Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource Name	Reference
PubChem	3365
ChEMBL	CHEMBL106
ChEBI	CHEBI:46081
CCDC/CSD	IVUQIZ03, IVUQIZ05, IVUQIZ04, IVUQIZ02, IVUQIZ06, IVUQOF01, IVUQOF, IVUQIZ, EZEGIA, IVUQIZ01, IVUQOF03, IVUQOF02, IVUQOF04
COD	2019557, 2019555, 2019556, 2019559, 4502863, 2237474, 4502095, 2018217, 2019558, 4502865, 4502864, 4502866

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.

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TPF

2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL

Chemical Component Summary

Chemical Details

Drug Info: DrugBank

Drug Targets

Related Resource References