Page last updated: 2024-12-10

tak 456

Description Research Excerpts Clinical Trials Roles Classes Pathways Study Profile Bioassays Related Drugs Related Conditions Protein Interactions Research Growth Market Indicators

Description

TAK 456: structure in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

Cross-References

ID Source	ID
PubMed CID	3002973
CHEMBL ID	4852565
SCHEMBL ID	4681272
MeSH ID	M0383792

Synonyms (14)

Synonym
tak-456
2-imidazolidinone, 1-[(1r,2r)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1h-1,2,4-triazol-1-yl)propyl]-3-[4-(1h-tetrazol-1-yl)phenyl]-
1-[(1r,2r)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]-3-[4-(tetrazol-1-yl)phenyl]imidazolidin-2-one
tak 456
1-[(2r,3r)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-3-[4-(tetrazol-1-yl)phenyl]imidazolidin-2-one
JTNIHNJCRCYZSU-IVZQSRNASA-N
1-[(1r,2r)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1h-1,2,4-triazol-1-yl)propyl]-3-[4-(1h-tetrazol-1-yl)phenyl]-2-imidazolidinone
SCHEMBL4681272
1-[(1r,2r)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1h-1,2,4-triazol-1-yl)propyl]-3-[4-(1h-1-tetrazolyl)phenyl]-2-imidazolidinone
2-imidazolidinone, 1-(2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1h-1,2,4-triazol-1-yl)propyl)-3-(4-(1h-tetrazol-1-yl)phenyl)-, (r-(r,r))-
181869-54-5
1-((1r,2r)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1h-1,2,4-triazol-1-yl)propyl)-3-(4-(1h-1-tetrazolyl)phenyl)-2-imidazolidinone
PD160803
CHEMBL4852565

[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (12)

Assay ID	Title	Year	Journal	Article
AID1872515	Antifungal activity against Aspergillus fumigatus TIMM1728 assessed as inhibition of fungal growth incubated for 20 hrs	2022	European journal of medicinal chemistry, Mar-05, Volume: 231	Synthetic approaches and structural diversity of triazolylbutanols derived from voriconazole in the antifungal drug development.
AID1872516	Antifungal activity against Aspergillus fumigatus IFO6344 assessed as inhibition of fungal growth incubated for 20 hrs	2022	European journal of medicinal chemistry, Mar-05, Volume: 231	Synthetic approaches and structural diversity of triazolylbutanols derived from voriconazole in the antifungal drug development.
AID1872507	In vivo antifungal activity against Candida albicans infected in CDF1 mouse treated po or iv 2 hrs after infection twice daily for 2 days measured on day 10	2022	European journal of medicinal chemistry, Mar-05, Volume: 231	Synthetic approaches and structural diversity of triazolylbutanols derived from voriconazole in the antifungal drug development.
AID1872511	Antifungal activity against Candida albicans TIMM1756 assessed as inhibition of fungal growth incubated for 20 hrs	2022	European journal of medicinal chemistry, Mar-05, Volume: 231	Synthetic approaches and structural diversity of triazolylbutanols derived from voriconazole in the antifungal drug development.
AID1872512	Antifungal activity against Candida albicans TIMM1850 assessed as inhibition of fungal growth incubated for 20 hrs	2022	European journal of medicinal chemistry, Mar-05, Volume: 231	Synthetic approaches and structural diversity of triazolylbutanols derived from voriconazole in the antifungal drug development.
AID1759062	Antifungal activity against Aspergillus fumigatus	2021	Bioorganic & medicinal chemistry letters, 06-01, Volume: 41	Microwave assisted regioselective synthesis of quinoline appended triazoles as potent anti-tubercular and antifungal agents via copper (I) catalyzed cycloaddition.
AID1872513	Antifungal activity against Cryptococcus neoformans TIMM1740 assessed as inhibition of fungal growth incubated for 68 hrs	2022	European journal of medicinal chemistry, Mar-05, Volume: 231	Synthetic approaches and structural diversity of triazolylbutanols derived from voriconazole in the antifungal drug development.
AID1872517	In vivo antifungal activity against Candida albicans infected in CDF1 mouse treated po 4 hrs after injection twice daily for 2 days measured on day 10	2022	European journal of medicinal chemistry, Mar-05, Volume: 231	Synthetic approaches and structural diversity of triazolylbutanols derived from voriconazole in the antifungal drug development.
AID1872514	Antifungal activity against Cryptococcus neoformans TIMM1855 assessed as inhibition of fungal growth incubated for 68 hrs	2022	European journal of medicinal chemistry, Mar-05, Volume: 231	Synthetic approaches and structural diversity of triazolylbutanols derived from voriconazole in the antifungal drug development.
AID1872505	Antifungal activity against Candida albicans assessed as inhibition of fungal growth incubated for 20 hrs	2022	European journal of medicinal chemistry, Mar-05, Volume: 231	Synthetic approaches and structural diversity of triazolylbutanols derived from voriconazole in the antifungal drug development.
AID1872518	In vivo antifungal activity against Aspergillus fumigatus infected in CDF1 mouse treated po 4 hrs after injection twice daily for 2 days measured on day 10	2022	European journal of medicinal chemistry, Mar-05, Volume: 231	Synthetic approaches and structural diversity of triazolylbutanols derived from voriconazole in the antifungal drug development.
AID1872506	In vivo antifungal activity against Candida albicans infected in CDF1 mouse treated po or iv immediately after infection measured on day 7	2022	European journal of medicinal chemistry, Mar-05, Volume: 231	Synthetic approaches and structural diversity of triazolylbutanols derived from voriconazole in the antifungal drug development.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (8)

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	0 (0.00)	18.7374
1990's	0 (0.00)	18.2507
2000's	6 (75.00)	29.6817
2010's	0 (0.00)	24.3611
2020's	2 (25.00)	2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 12.74

According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be weak demand-to-supply ratio for research on this compound.

Metric	This Compound (vs All)
Research Demand Index	12.74 (24.57)
Research Supply Index	2.20 (2.92)
Research Growth Index	4.94 (4.65)
Search Engine Demand Index	0.00 (26.88)
Search Engine Supply Index	0.00 (0.95)

This Compound (12.74)

All Compounds (24.57)

Study Types

Publication Type	This drug (%)	All Drugs (%)
Trials	0 (0.00%)	5.53%
Reviews	1 (12.50%)	6.00%
Case Studies	0 (0.00%)	4.05%
Observational	0 (0.00%)	0.25%
Other	7 (87.50%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Relationship Strength	Studies	Classes	Roles
inositol Inositol: An isomer of glucose that has traditionally been considered to be a B vitamin although it has an uncertain status as a vitamin and a deficiency syndrome has not been identified in man. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1379) Inositol phospholipids are important in signal transduction.. inositol : Any cyclohexane-1,2,3,4,5,6-hexol.. 1D-chiro-inositol : Belonging to the inositol family of compounds, D-chiro-inositol (DCI) is an isomer of glucose. It is an important secondary messenger in insulin signal transduction.. muco-inositol : An inositol that is cyclohexane-1,2,3,4,5,6-hexol having a (1R,2R,3r,4R,5S,6r)-configuration.	2.05	1	cyclitol; hexol
pyrazinamide pyrazinecarboxamide : A monocarboxylic acid amide resulting from the formal condensation of the carboxy group of pyrazinoic acid (pyrazine-2-carboxylic acid) with ammonia. A prodrug for pyrazinoic acid, pyrazinecarboxamide is used as part of multidrug regimens for the treatment of tuberculosis.	2.31	1	monocarboxylic acid amide; N-acylammonia; pyrazines	antitubercular agent; prodrug
ciprofloxacin Ciprofloxacin: A broad-spectrum antimicrobial carboxyfluoroquinoline.. ciprofloxacin : A quinolone that is quinolin-4(1H)-one bearing cyclopropyl, carboxylic acid, fluoro and piperazin-1-yl substituents at positions 1, 3, 6 and 7, respectively.	2.31	1	aminoquinoline; cyclopropanes; fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone; zwitterion	antibacterial drug; antiinfective agent; antimicrobial agent; DNA synthesis inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; environmental contaminant; topoisomerase IV inhibitor; xenobiotic
fluconazole Fluconazole: Triazole antifungal agent that is used to treat oropharyngeal CANDIDIASIS and cryptococcal MENINGITIS in AIDS.. fluconazole : 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.	3.86	2	conazole antifungal drug; difluorobenzene; tertiary alcohol; triazole antifungal drug	environmental contaminant; P450 inhibitor; xenobiotic
isoniazid Hydra: A genus of freshwater polyps in the family Hydridae, order Hydroida, class HYDROZOA. They are of special interest because of their complex organization and because their adult organization corresponds roughly to the gastrula of higher animals.. hydrazide : Compounds derived from oxoacids RkE(=O)l(OH)m (l =/= 0) by replacing -OH by -NRNR2 (R groups are commonly H). (IUPAC).	2.31	1	carbohydrazide	antitubercular agent; drug allergen
itraconazole [no description available]	3.51	1	piperazines
mannitol [no description available]	2.05	1	mannitol	allergen; antiglaucoma drug; compatible osmolytes; Escherichia coli metabolite; food anticaking agent; food bulking agent; food humectant; food stabiliser; food thickening agent; hapten; metabolite; osmotic diuretic; sweetening agent
triazoles Triazoles: Heterocyclic compounds containing a five-membered ring with two carbon atoms and three nitrogen atoms with the molecular formula C2H3N3.. triazoles : An azole in which the five-membered heterocyclic aromatic skeleton contains three N atoms and two C atoms.	2.43	2	1,2,3-triazole
ketoconazole (2R,4S)-ketoconazole : A cis-1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine which dioxolane moiety has (2R,4S)-configuration.	3.51	1	cis-1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine
ravuconazole ER 30346: structure in first source. ravuconazole : A member of the class of triazoles that is 1-butyl-1H-1,2,4-triazole in which the butyl group is substituted at positions 2, 2, and 3 by hydroxy, 2,4-difluorophenyl, and 4-(p-cyanophenyl)-1,3-thiazol-2-yl groups, respectively (the R,R stereoisomer). It exhibits antifungal activity by inhibition of 14alpha demethylase, an enzyme involved in sterol synthesis, resulting in lysis of the fungal cell wall and fungal cell death. (NCIO4)	3.51	1	1,3-thiazoles; fluorobenzenes; nitrile; tertiary alcohol; triazoles	antifungal drug; antileishmanial agent; EC 1.14.14.154 (sterol 14alpha-demethylase) inhibitor; ergosterol biosynthesis inhibitor
efinaconazole efinaconazole: an antifungal agent; structure in first source. efinaconazole : A member of the class of triazoles that is butan-2-ol which is substituted at positions 1, 2, and 3 by 1,2,4-triazol-1-yl, 2,4-difluorophenyl, and 4-methylenepiperidin-1-yl groups, respectively (the 2R,3R stereoisomer). It is an antifungal drug used for the topical treatment of onychomycosis (a nail infection caused mainly by dermatophytes).	3.51	1	conazole antifungal drug; olefinic compound; organofluorine compound; piperidines; tertiary alcohol; tertiary amino compound; triazole antifungal drug	EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor
2-(2,4-difluorophenyl)-3-(4-(4-(2-(4-trifluoromethoxybenzyl)-2h-1,2,4-triazol-3-one-4-yl)phenyl)piperazin-1-yl)-1-(1h-1,2,4-triazol-1-yl)butan-2-ol Syn 2869: structure in first source	3.51	1
r-120758 R-120758: structure in first source	3.51	1
isavuconazole isavuconazole : A 1,3-thiazole that is butan-2-ol which is substituted at positions 1, 2, and 3 by 1,2,4-triazol-1-yl, 2,5-difluorophenyl, and 4-(p-cyanophenyl)-1,3-thiazol-2-yl groups, respectively. It is an antifungal drug used for the treatment of invasive aspergillosis and invasive mucormycosis.	3.51	1	1,3-thiazoles; conazole antifungal drug; difluorobenzene; nitrile; tertiary alcohol; triazole antifungal drug	EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor; ergosterol biosynthesis inhibitor; orphan drug

Condition	Relationship Strength	Studies
Candida Infection [description not available]	2.41	2
Extravascular Hemolysis [description not available]	2	1
Candidiasis Infection with a fungus of the genus CANDIDA. It is usually a superficial infection of the moist areas of the body and is generally caused by CANDIDA ALBICANS. (Dorland, 27th ed)	2.41	2
Hemolysis The destruction of ERYTHROCYTES by many different causal agents such as antibodies, bacteria, chemicals, temperature, and changes in tonicity.	2	1
Allergic Bronchopulmonary Aspergilloses [description not available]	2.01	1
Disease Models, Animal Naturally-occurring or experimentally-induced animal diseases with pathological processes analogous to human diseases.	2.01	1
Aspergillosis, Allergic Bronchopulmonary Hypersensitivity reaction (ALLERGIC REACTION) to fungus ASPERGILLUS in an individual with long-standing BRONCHIAL ASTHMA. It is characterized by pulmonary infiltrates, EOSINOPHILIA, elevated serum IMMUNOGLOBULIN E, and skin reactivity to Aspergillus antigen.	2.01	1
Neutropenia A decrease in the number of NEUTROPHILS found in the blood.	2.01	1
Aspergillus Infection [description not available]	2.01	1
Aspergillosis Infections with fungi of the genus ASPERGILLUS.	2.01	1

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