Detailed information for compound 903734

Basic information

Technical information
  • TDR Targets ID: 903734
  • Name: EU-0038378
  • MW: 404.412 | Formula: C19H17FN2O5S
  • H donors: 0 H acceptors: 3 LogP: 3.68 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(cc(c1OC)OC)c1nnc(o1)SCC(=O)c1ccc(cc1)F
  • InChi: 1S/C19H17FN2O5S/c1-24-15-8-12(9-16(25-2)17(15)26-3)18-21-22-19(27-18)28-10-14(23)11-4-6-13(20)7-5-11/h4-9H,10H2,1-3H3
  • InChiKey: JTTHSOYIVQMZHX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • AIDS-120880
  • Ethanone, 1-(4-fluorophenyl)-2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]-
  • ZINC02475752
  • AIDS120880

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0015 0.0125 0.0125
Plasmodium falciparum thioredoxin reductase 0.0017 0.0258 0.0679
Schistosoma mansoni hypothetical protein 0.0033 0.1186 0.1152
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0017 0.0258 0.0662
Loa Loa (eye worm) hypothetical protein 0.0034 0.1236 0.1126
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0049 0.2143 0.3215
Loa Loa (eye worm) hypothetical protein 0.0049 0.2143 0.2044
Mycobacterium ulcerans hypothetical protein 0.0049 0.2143 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0436 0.1582
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0436 0.0436
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0436 1
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0037 0.142 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0258 0.0679
Echinococcus granulosus transient receptor potential ion channel A 0.0096 0.4854 0.5131
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0015 0.0125 0.0182
Leishmania major 4-coumarate:coa ligase-like protein 0.0049 0.2143 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0049 0.2092 0.326
Schistosoma mansoni transient receptor potential channel 0.0066 0.3096 0.3223
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0017 0.0258 0.0258
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.1186 0.1075
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0436 0.1582
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0033 0.1186 0.1152
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0035 0.1304 0.2027
Loa Loa (eye worm) hypothetical protein 0.0063 0.2904 0.2814
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0015 0.0125 0.0182
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0436 0.1582
Schistosoma mansoni hypothetical protein 0.0033 0.1186 0.1152
Brugia malayi Calcitonin receptor-like protein seb-1 0.0104 0.5293 0.5293
Echinococcus multilocularis short transient receptor potential channel 6 0.0066 0.3096 0.3223
Brugia malayi Latrophilin receptor protein 2 0.0033 0.1186 0.1186
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0185 1 1
Schistosoma mansoni hypothetical protein 0.0033 0.1186 0.1152
Brugia malayi AMP-binding enzyme family protein 0.0015 0.0125 0.0125
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0104 0.5293 0.5234
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0033 0.1186 0.1152
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0035 0.1304 0.2027
Schistosoma mansoni ap endonuclease 0.002 0.0436 0.0338
Schistosoma mansoni hypothetical protein 0.0071 0.3392 0.3545
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0017 0.0258 0.0391
Brugia malayi TAR-binding protein 0.0063 0.2912 0.2912
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0017 0.0258 0.0679
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0017 0.0258 0.0145
Loa Loa (eye worm) hypothetical protein 0.0037 0.142 0.1312
Loa Loa (eye worm) hypothetical protein 0.0037 0.142 0.1312
Echinococcus granulosus GPCR family 2 0.0033 0.1186 0.1152
Echinococcus granulosus short transient receptor potential channel 6 0.0066 0.3096 0.3223
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0017 0.0258 0.0679
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0017 0.0258 0.0662
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0015 0.0125 0.0182
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0015 0.0125 0.0182
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0017 0.0258 0.0679
Echinococcus granulosus TRP transient receptor potential channel 0.0037 0.1428 0.1414
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0015 0.0125 0.0125
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0049 0.2143 1
Echinococcus multilocularis transient receptor potential ion channel A 0.0096 0.4854 0.5131
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0111 0.5687 0.8883
Echinococcus multilocularis transient receptor potential gamma protein 0.01 0.5046 0.5339
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0017 0.0258 0.0679
Brugia malayi AMP-binding enzyme family protein 0.0015 0.0125 0.0125
Loa Loa (eye worm) hypothetical protein 0.01 0.5046 0.4984
Onchocerca volvulus 0.0049 0.2143 0.2044
Echinococcus granulosus geminin 0.0174 0.9343 1
Trypanosoma brucei trypanothione reductase 0.0049 0.2092 1
Brugia malayi AMP-binding enzyme family protein 0.0015 0.0125 0.0125
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0436 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.2912 0.3024
Entamoeba histolytica acyl-CoA synthetase, putative 0.0049 0.2143 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0258 0.0679
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0111 0.5687 0.8883
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0015 0.0125 0.0182
Plasmodium falciparum glutathione reductase 0.0017 0.0258 0.0679
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0258 0.0679
Mycobacterium tuberculosis Probable reductase 0.0111 0.5687 0.8883
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0258 0.0679
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0017 0.0258 0.0679
Brugia malayi AMP-binding enzyme family protein 0.0015 0.0125 0.0125
Echinococcus multilocularis tar DNA binding protein 0.0063 0.2912 0.3024
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0017 0.0258 0.0662
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0049 0.2143 0.3339
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0258 0.0679
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0017 0.0258 0.0679
Mycobacterium ulcerans acyl-CoA synthetase 0.0049 0.2143 1
Echinococcus multilocularis geminin 0.0174 0.9343 1
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0017 0.0258 0.0679
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0436 0.0669
Loa Loa (eye worm) hypothetical protein 0.0037 0.1428 0.132
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0037 0.142 0.2209
Entamoeba histolytica acyl-CoA synthetase, putative 0.0049 0.2143 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0049 0.2143 1
Echinococcus granulosus short transient receptor potential channel 6 0.0066 0.3096 0.3223
Schistosoma mansoni hypothetical protein 0.0174 0.9343 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0104 0.5293 0.5293
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0111 0.5687 0.8883
Schistosoma mansoni tar DNA-binding protein 0.0063 0.2912 0.3024
Echinococcus multilocularis short transient receptor potential channel 6 0.0066 0.3096 0.3223
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0436 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0015 0.0125 0.0182
Trichomonas vaginalis glutathione reductase, putative 0.0017 0.0258 0.4291
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0035 0.1304 0.2027
Brugia malayi latrophilin 2 splice variant baaae 0.0071 0.3392 0.3392
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0436 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0436 0.0315
Toxoplasma gondii exonuclease III APE 0.002 0.0436 0.1582
Echinococcus multilocularis GPCR, family 2 0.0033 0.1186 0.1152
Plasmodium vivax thioredoxin reductase, putative 0.0049 0.2092 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0436 0.0338
Toxoplasma gondii thioredoxin reductase 0.0049 0.2092 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0049 0.2092 0.2134
Loa Loa (eye worm) hypothetical protein 0.0049 0.2143 0.2044
Schistosoma mansoni tar DNA-binding protein 0.0063 0.2912 0.3024
Echinococcus multilocularis TRP (transient receptor potential) channel 0.0037 0.1428 0.1414
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0123 0.6402 1
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0017 0.0258 0.0662
Loa Loa (eye worm) hypothetical protein 0.0033 0.1186 0.1075
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0017 0.0258 0.0662
Loa Loa (eye worm) hypothetical protein 0.0071 0.3392 0.3309
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0436 0.0338
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0015 0.0125 0.0182
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0015 0.0125 0.0182
Plasmodium vivax acyl-CoA synthetase, putative 0.0037 0.142 0.6587
Brugia malayi RNA binding protein 0.0063 0.2912 0.2912
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0049 0.2143 0.3215
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0037 0.142 0.6421
Brugia malayi AMP-binding enzyme family protein 0.0049 0.2143 0.2143
Leishmania major trypanothione reductase 0.0049 0.2092 0.9749
Plasmodium falciparum thioredoxin reductase 0.0049 0.2092 1
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.2912 0.2912
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0123 0.6402 1
Schistosoma mansoni hypothetical protein 0.0174 0.9343 1
Loa Loa (eye worm) TAR-binding protein 0.0063 0.2912 0.2823
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0049 0.2143 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.142 0.1312
Schistosoma mansoni transient receptor potential channel 0.0066 0.3096 0.3223
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0.0436 0.1543
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0436 0.1543
Schistosoma mansoni tar DNA-binding protein 0.0063 0.2912 0.3024
Leishmania major 4-coumarate:coa ligase-like protein 0.0049 0.2143 1
Brugia malayi Thioredoxin reductase 0.0049 0.2092 0.2092
Loa Loa (eye worm) glutathione reductase 0.0049 0.2092 0.1992
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0017 0.0258 0.0145
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0017 0.0258 0.0679
Loa Loa (eye worm) hypothetical protein 0.0049 0.2143 0.2044
Brugia malayi Transient-receptor-potential like protein 0.0037 0.1428 0.1428
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0436 0.1543
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.0436 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0049 0.2143 0.3339
Plasmodium falciparum acyl-CoA synthetase 0.0037 0.142 0.6587
Trypanosoma cruzi trypanothione reductase, putative 0.0017 0.0258 0.0679
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0033 0.1186 0.1152
Loa Loa (eye worm) hypothetical protein 0.0037 0.142 0.1312
Plasmodium vivax glutathione reductase, putative 0.0049 0.2092 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0049 0.2092 0.2134
Toxoplasma gondii NADPH-glutathione reductase 0.0017 0.0258 0.0679
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0017 0.0258 0.0662
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.1186 0.1186
Mycobacterium tuberculosis Probable dehydrogenase 0.0111 0.5687 0.8883
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0015 0.0125 0.0182
Loa Loa (eye worm) hypothetical protein 0.0037 0.142 0.1312
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0436 0.1582
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.2912 0.2823
Plasmodium falciparum glutathione reductase 0.0049 0.2092 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0017 0.0258 0.0679
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0015 0.0125 0.0182
Schistosoma mansoni ap endonuclease 0.002 0.0436 0.0338
Leishmania major 4-coumarate:coa ligase-like protein 0.0049 0.2143 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0049 0.2143 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0017 0.0258 0.0679
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0111 0.5687 0.8862
Loa Loa (eye worm) hypothetical protein 0.0104 0.5293 0.5234
Mycobacterium tuberculosis Probable oxidoreductase 0.0123 0.6402 1
Entamoeba histolytica acyl-coA synthetase, putative 0.0049 0.2143 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0049 0.2143 1
Echinococcus granulosus tar DNA binding protein 0.0063 0.2912 0.3024
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0017 0.0258 0.0662
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0017 0.0258 0.0679
Loa Loa (eye worm) hypothetical protein 0.0185 1 1
Brugia malayi AMP-binding enzyme family protein 0.0049 0.2143 0.2143
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0111 0.5687 0.8883
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0436 0.1582
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0017 0.0258 0.0145
Schistosoma mansoni transient receptor potential channel 0.01 0.5046 0.5339
Brugia malayi glutathione reductase 0.0049 0.2092 0.2092
Schistosoma mansoni hypothetical protein 0.0033 0.1186 0.1152
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0035 0.1304 0.2027
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0015 0.0125 0.0182
Mycobacterium ulcerans acyl-CoA synthetase 0.0049 0.2143 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0123 0.6402 1
Loa Loa (eye worm) RNA binding protein 0.0063 0.2912 0.2823
Brugia malayi AMP-binding enzyme family protein 0.0049 0.2143 0.2143
Trypanosoma cruzi trypanothione reductase, putative 0.0049 0.2092 1
Echinococcus granulosus transient receptor potential gamma protein 0.01 0.5046 0.5339
Schistosoma mansoni transient receptor potential channel 4 0.01 0.5046 0.5339
Trichomonas vaginalis mercuric reductase, putative 0.0017 0.0258 0.4291
Schistosoma mansoni tar DNA-binding protein 0.0063 0.2912 0.3024
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0033 0.1186 0.1152
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0258 0.0679
Loa Loa (eye worm) thioredoxin reductase 0.0049 0.2092 0.1992

Activities

No activities found for this compound.

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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