Drug Details

General Information of the Drug (ID: DR8796)
Name
Azoles
Synonyms
5-(4-fluorophenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole; 421581-70-6; Azoles; ACMC-209jo2; Cambridge id 6767136; ZINC78448; DTXSID90351417; ANW-29760; MFCD03142768; STK140413; AKOS001657153; MCULE-6698398368; V5884; B-3616; SR-01000496544; SR-01000496544-1
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Molecular Type
Small molecule
Disease Trypanosomiasis [ICD-11: 1D51-1F53] Investigative [1]
Structure
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2D MOL

3D MOL

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Formula
C14H8FN3O3
PubChem CID
699591
Canonical SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C2=NOC(=N2)C3=CC=C(C=C3)F
InChI
1S/C14H8FN3O3/c15-11-6-4-9(5-7-11)14-16-13(17-21-14)10-2-1-3-12(8-10)18(19)20/h1-8H
InChIKey
PHSKMUVSVYQIRN-UHFFFAOYSA-N
CAS Number
CAS 421581-70-6
TTD Drug ID
D0S1HI
Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally
    α. A List of Natural Product(s) Able to Enhance the Efficacy of This Drug
          Acorus calamus      Acorus calamus     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
                    In-vitro Model Candida species Microorganism model Candida species
                    Experimental
                    Result(s)		 The combined effects of asarones and drugs principally recorded substantial synergistic activity (fractional inhibitory concentration index (FICI) <0.5).
          Magnolol      Magnolia officinalis     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 [3]
                    Detail(s)  Combination Info  click to show the detail info of this combination
                    In-vitro Model Candida albicans Microorganism model Candida albicans
                    Experimental
                    Result(s)		 Magnolol synergizes with azoles for targeting of C. albicans by inducing a higher intracellular content of antifungals, by tapping into the competitive effect of ABC transporter Cdr1p substrates, and enhancing the effect by targeting of the ergosterol biosynthesis pathway.
References
Reference 1 The ChEMBL database in 2017. Nucleic Acids Res. 2017 Jan 4;45(D1):D945-D954.
Reference 2 Asarones from Acorus calamus in combination with azoles and amphotericin B: a novel synergistic combination to compete against human pathogenic Candida species in vitro. Appl Biochem Biotechnol. 2015 Apr;175(8):3683-95.
Reference 3 Synergistic activity of magnolol with azoles and its possible antifungal mechanism against Candida albicans. J Appl Microbiol. 2015 Apr;118(4):826-38.
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