Detailed information for compound 1067627

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 390.356 | Formula: C20H17F3N2O3
  • H donors: 1 H acceptors: 2 LogP: 4.95 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1noc(c1)c1ccc(cc1)NCc1cccc(c1)C(F)(F)F
  • InChi: 1S/C20H17F3N2O3/c1-2-27-19(26)17-11-18(28-25-17)14-6-8-16(9-7-14)24-12-13-4-3-5-15(10-13)20(21,22)23/h3-11,24H,2,12H2,1H3
  • InChiKey: HBOBWNNEORQKAJ-UHFFFAOYSA-N  


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Synonyms

No synonyms found for this compound

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
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0478 0.2692
Trypanosoma brucei trypanothione reductase 0.0037 0.1133 1
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0013 0.0237 0.086
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0052 0.1696 0.3983
Leishmania major 4-coumarate:coa ligase-like protein 0.0047 0.1511 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0033 0.0997 0.2615
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0478 0.0478
Brugia malayi F/Y-rich N-terminus family protein 0.0012 0.02 0.0135
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0094 0.3238 1
Loa Loa (eye worm) bromodomain containing protein 0.0017 0.0408 0.0353
Echinococcus multilocularis smad 0.0008 0.0072 0.0007
Mycobacterium ulcerans acyl-CoA synthetase 0.0014 0.0275 0.0302
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0478 0.2692
Mycobacterium tuberculosis Probable reductase 0.0085 0.2889 0.885
Plasmodium falciparum acyl-CoA synthetase 0.0035 0.1069 0.9285
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0029 0.0849 0.0816
Loa Loa (eye worm) oxidoreductase 0.0014 0.0275 0.0214
Trypanosoma brucei ISWI complex protein 0.0015 0.0322 0.0947
Loa Loa (eye worm) glutathione reductase 0.0037 0.1133 0.1114
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0033 0.0997 0.2615
Onchocerca volvulus Glucosylceramidase homolog 0.0175 0.6215 0.6108
Mycobacterium ulcerans long-chain-acyl-CoA synthetase 0.0014 0.0275 0.0302
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0266 0.9597 1
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0013 0.0237 0.086
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0014 0.0275 0.0429
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0035 0.1069 0.285
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0014 0.0275 0.1059
Trichomonas vaginalis glucosylceramidase, putative 0.0175 0.6215 0.6215
Mycobacterium ulcerans acyl-CoA synthetase 0.0014 0.0275 0.0302
Plasmodium falciparum glutathione reductase 0.0037 0.1133 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.1069 0.1047
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0085 0.2889 0.885
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0033 0.0997 0.2615
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0014 0.0275 0.0235
Mycobacterium ulcerans O-succinylbenzoic acid--CoA ligase 0.0014 0.0275 0.0302
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.1077 0.5198
Loa Loa (eye worm) hypothetical protein 0.0044 0.1382 0.1376
Echinococcus multilocularis thioredoxin glutathione reductase 0.0038 0.1151 0.5582
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0009 0.0111 0.0041
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0478 0.2692
Loa Loa (eye worm) hypothetical protein 0.0026 0.0704 0.0664
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtE 0.0014 0.0275 0.0302
Loa Loa (eye worm) hypothetical protein 0.0047 0.1511 0.1511
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0478 1
Trichomonas vaginalis glucosylceramidase, putative 0.0184 0.6562 0.6562
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0085 0.2889 0.8822
Brugia malayi MH2 domain containing protein 0.0123 0.4308 0.4448
Schistosoma mansoni hypothetical protein 0.002 0.0517 0.1094
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0014 0.0275 0.0233
Mycobacterium ulcerans acyl-CoA synthetase 0.0014 0.0275 0.0302
Brugia malayi cytoplasmic intermediate filament protein 0.0029 0.0849 0.0816
Loa Loa (eye worm) hypothetical protein 0.0047 0.1511 0.1511
Brugia malayi AMP-binding enzyme family protein 0.0014 0.0275 0.0214
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0266 0.9597 1
Mycobacterium ulcerans bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase 0.0014 0.0275 0.0302
Loa Loa (eye worm) hypothetical protein 0.0055 0.1791 0.1805
Trichomonas vaginalis glucosylceramidase, putative 0.0175 0.6215 0.6215
Trypanosoma cruzi ISWI complex protein 0.0015 0.0322 0.0947
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0478 0.2692
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0478 0.2106
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0478 1
Schistosoma mansoni hypothetical protein 0.0015 0.0322 0.0616
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0478 0.2692
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0047 0.1511 0.417
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0478 0.0817
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0034 0.1002 0.4811
Trichomonas vaginalis glucosylceramidase, putative 0.0266 0.9597 0.9597
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0478 0.0427
Loa Loa (eye worm) hypothetical protein 0.0038 0.1166 0.1149
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0047 0.1511 1
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0008 0.0072 0.0003
Plasmodium vivax SET domain protein, putative 0.0035 0.1072 0.9324
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0085 0.2889 0.885
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.0081 0.2755 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0014 0.0275 0.0214
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0037 0.1133 0.3061
Leishmania major long-chain-fatty-acid-CoA ligase, putative 0.0014 0.0275 0.0302
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0085 0.2889 0.885
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0035 0.1072 0.2454
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0035 0.1069 0.6529
Echinococcus granulosus smad 0.0008 0.0072 0.0007
Loa Loa (eye worm) hypothetical protein 0.0035 0.1069 0.1047
Onchocerca volvulus 0.0047 0.1511 0.127
Schistosoma mansoni smad1 5 8 and 0.0008 0.0072 0.0003
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0052 0.1696 0.8397
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0047 0.1511 1
Brugia malayi intermediate filament protein 0.0055 0.1791 0.1805
Mycobacterium tuberculosis Probable dehydrogenase 0.0085 0.2889 0.885
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.1072 0.2454
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0134 0.0331
Echinococcus multilocularis Smad4 0.0008 0.0072 0.0007
Echinococcus granulosus thioredoxin glutathione reductase 0.0038 0.1151 0.5582
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0052 0.1696 0.3983
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0061 0.2007 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0047 0.1511 1
Loa Loa (eye worm) histone methyltransferase 0.001 0.0134 0.0066
Trichomonas vaginalis glucosylceramidase, putative 0.0266 0.9597 0.9597
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.0014 0.0275 0.0429
Loa Loa (eye worm) hypothetical protein 0.0047 0.1511 0.1511
Trichomonas vaginalis antibiotic synthetase, putative 0.0014 0.0275 0.0275
Brugia malayi Bromodomain containing protein 0.0038 0.1163 0.1146
Plasmodium falciparum acetyl-CoA synthetase, putative 0.0014 0.0275 0.0429
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.0081 0.2755 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0813 0.0778
Schistosoma mansoni bromodomain containing protein 0.0064 0.2138 0.5065
Brugia malayi AMP-binding enzyme family protein 0.0014 0.0275 0.0214
Trichomonas vaginalis glutathione reductase, putative 0.0013 0.0237 0.0237
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0014 0.0275 0.0302
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.0647 0.1412
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0047 0.1511 0.4307
Brugia malayi Thioredoxin reductase 0.0037 0.1133 0.1114
Onchocerca volvulus 0.0028 0.0813 0.0553
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0047 0.1511 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0478 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.1696 0.1706
Toxoplasma gondii exonuclease III APE 0.0019 0.0478 0.1462
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0478 0.0903
Trichomonas vaginalis mercuric reductase, putative 0.0013 0.0237 0.0237
Trichomonas vaginalis glucosylceramidase, putative 0.0175 0.6215 0.6215
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0386 0.0773
Leishmania major trypanothione reductase 0.0037 0.1133 0.7032
Schistosoma mansoni cpg binding protein 0.0032 0.0943 0.2137
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0027 0.0741 0.3466
Trichomonas vaginalis antibiotic synthetase, putative 0.0014 0.0275 0.0275
Schistosoma mansoni smad 0.0008 0.0072 0.0003
Brugia malayi AMP-binding enzyme family protein 0.0047 0.1511 0.1511
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0478 0.2106
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0014 0.0275 0.0235
Trichomonas vaginalis glucosylceramidase, putative 0.0266 0.9597 0.9597
Loa Loa (eye worm) transcription factor SMAD2 0.0123 0.4308 0.4448
Echinococcus granulosus TGF beta signal transducer SmadC 0.0008 0.0072 0.0007
Echinococcus multilocularis lamin 0.0055 0.1791 0.8889
Brugia malayi PHD-finger family protein 0.0026 0.0733 0.0695
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0055 0.1791 0.1805
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0478 0.1893
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0014 0.0275 0.0235
Schistosoma mansoni zinc finger protein 0.0021 0.0538 0.1146
Brugia malayi AMP-binding enzyme family protein 0.0047 0.1511 0.1511
Mycobacterium ulcerans acyl-CoA synthetase 0.0014 0.0275 0.0302
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.0386 0.163
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0244 0.876 0.9121
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0047 0.1511 1
Echinococcus multilocularis lamin dm0 0.0055 0.1791 0.8889
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0014 0.0275 0.0235
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0094 0.3238 1
Schistosoma mansoni smad1 5 8 and 0.0008 0.0072 0.0003
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0478 0.0427
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0035 0.1069 1
Echinococcus granulosus lamin 0.0055 0.1791 0.8889
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0134 0.0331
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0014 0.0275 0.0235
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0014 0.0275 0.0235
Schistosoma mansoni lamin 0.0055 0.1791 0.4217
Mycobacterium ulcerans acyl-CoA synthetase 0.0014 0.0275 0.0302
Loa Loa (eye worm) hypothetical protein 0.0027 0.0741 0.0703
Loa Loa (eye worm) hypothetical protein 0.0035 0.1069 0.1047
Loa Loa (eye worm) hypothetical protein 0.0014 0.0275 0.0214
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0014 0.0275 0.0235
Loa Loa (eye worm) hypothetical protein 0.0054 0.1754 0.1766
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0033 0.0997 0.2615
Mycobacterium ulcerans acyl-CoA synthetase 0.0014 0.0275 0.0302
Echinococcus multilocularis cpg binding protein 0.0032 0.0943 0.4505
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0014 0.0275 0.0214
Plasmodium falciparum thioredoxin reductase 0.0037 0.1133 1
Brugia malayi AMP-binding enzyme family protein 0.0047 0.1511 0.1511
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0047 0.1511 0.4307
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.1077 0.5198
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0014 0.0275 0.0214
Echinococcus granulosus intermediate filament protein 0.0055 0.1791 0.8889
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0035 0.1072 0.5174
Loa Loa (eye worm) hypothetical protein 0.0014 0.0275 0.0214
Loa Loa (eye worm) hypothetical protein 0.0081 0.2755 0.2817
Loa Loa (eye worm) hypothetical protein 0.0035 0.1069 0.1047
Schistosoma mansoni acetyl-CoA synthetase 0.0014 0.0275 0.0502
Loa Loa (eye worm) hypothetical protein 0.007 0.235 0.2392
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0386 0.0773
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0517 0.0467
Echinococcus multilocularis mothers against decapentaplegic 5 0.0008 0.0072 0.0007
Schistosoma mansoni ap endonuclease 0.0019 0.0478 0.0999
Echinococcus granulosus mothers against decapentaplegic 5 0.0008 0.0072 0.0007
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0009 0.0111 0.0041
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0013 0.0237 0.0174
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0085 0.2889 0.885
Mycobacterium ulcerans acyl-CoA synthetase 0.0014 0.0275 0.0302
Schistosoma mansoni zinc finger protein 0.0015 0.0322 0.0616
Toxoplasma gondii thioredoxin reductase 0.0037 0.1133 0.5429
Brugia malayi AMP-binding enzyme family protein 0.0014 0.0275 0.0214
Mycobacterium tuberculosis Probable oxidoreductase 0.0094 0.3238 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0014 0.0275 0.0302
Entamoeba histolytica acyl-coA synthetase, putative 0.0047 0.1511 0.4983
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0014 0.0275 0.0235
Brugia malayi Intermediate filament tail domain containing protein 0.0055 0.1791 0.1805
Trypanosoma brucei acetyl-CoA synthetase, putative 0.0014 0.0275 0.0429
Loa Loa (eye worm) hypothetical protein 0.0026 0.0704 0.0664
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0478 0.1893
Trichomonas vaginalis glucosylceramidase, putative 0.0175 0.6215 0.6215
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0062 0.2038 0.4822
Mycobacterium ulcerans peptide synthetase Nrp (peptide synthase) 0.0014 0.0275 0.0302
Echinococcus multilocularis zinc finger protein 0.0021 0.0538 0.2416
Entamoeba histolytica acyl-CoA synthetase, putative 0.0047 0.1511 0.4983
Loa Loa (eye worm) intermediate filament protein 0.0055 0.1791 0.1805
Brugia malayi glutathione reductase 0.0037 0.1133 0.1114
Leishmania major acetyl-CoA synthetase, putative 0.0014 0.0275 0.0302
Mycobacterium ulcerans acetyl-CoA synthetase 0.0014 0.0275 0.0302
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0478 0.0478
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0061 0.2007 1
Trichomonas vaginalis glucosylceramidase, putative 0.0184 0.6562 0.6562
Trichomonas vaginalis glucosylceramidase, putative 0.0266 0.9597 0.9597
Trichomonas vaginalis glucosylceramidase, putative 0.0175 0.6215 0.6215
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0014 0.0275 0.0429
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0027 0.0741 0.3466
Brugia malayi Pre-SET motif family protein 0.0035 0.1072 0.105
Schistosoma mansoni Smad4 0.0008 0.0072 0.0003
Onchocerca volvulus 0.0055 0.1791 0.1559
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0014 0.0275 0.0429
Trichomonas vaginalis glucosylceramidase, putative 0.0266 0.9597 0.9597
Loa Loa (eye worm) hypothetical protein 0.004 0.1253 0.124
Echinococcus granulosus zinc finger protein 0.0021 0.0538 0.2416
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.0647 0.2977
Leishmania major hypothetical protein, conserved 0.0015 0.0322 0.0666
Brugia malayi CXXC zinc finger family protein 0.0028 0.0813 0.0778
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.0386 0.163
Mycobacterium ulcerans phenyloxazoline synthase MbtB 0.0014 0.0275 0.0302
Toxoplasma gondii propionate-CoA ligase 0.0014 0.0275 0.0233
Leishmania major 4-coumarate:coa ligase-like protein 0.0047 0.1511 1
Loa Loa (eye worm) thioredoxin reductase 0.0037 0.1133 0.1114
Brugia malayi AMP-binding enzyme family protein 0.0014 0.0275 0.0214
Entamoeba histolytica acyl-CoA synthetase, putative 0.0047 0.1511 0.4983
Toxoplasma gondii histone lysine methyltransferase SET1 0.0058 0.1887 1
Schistosoma mansoni intermediate filament proteins 0.0055 0.1791 0.4217
Brugia malayi Pre-SET motif family protein 0.0244 0.876 0.9121
Echinococcus granulosus Smad4 0.0008 0.0072 0.0007
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0008 0.0072 0.0007
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0035 0.1072 0.5062
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0047 0.1511 0.417
Echinococcus granulosus lamin dm0 0.0055 0.1791 0.8889
Schistosoma mansoni ap endonuclease 0.0019 0.0478 0.0999
Onchocerca volvulus 0.0055 0.1791 0.1559
Schistosoma mansoni cpg binding protein 0.0032 0.0943 0.2137
Plasmodium vivax glutathione reductase, putative 0.0037 0.1133 1
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0014 0.0275 0.1059
Loa Loa (eye worm) hypothetical protein 0.0035 0.1069 0.1047
Plasmodium vivax thioredoxin reductase, putative 0.0037 0.1133 1
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0014 0.0275 0.0235
Mycobacterium ulcerans hypothetical protein 0.0047 0.1511 1
Onchocerca volvulus 0.0035 0.1072 0.0819
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0013 0.0237 0.0108
Echinococcus granulosus histone lysine methyltransferase setb 0.0052 0.1696 0.8397
Schistosoma mansoni lamin 0.0055 0.1791 0.4217
Leishmania major acetyl-CoA synthetase, putative 0.0014 0.0275 0.0302
Schistosoma mansoni cpg binding protein 0.0028 0.0813 0.1819
Trypanosoma cruzi ISWI complex protein 0.0015 0.0322 0.0947
Mycobacterium ulcerans acyl-CoA synthetase 0.0047 0.1511 1
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0014 0.0275 0.0214
Trichomonas vaginalis glucosylceramidase, putative 0.0175 0.6215 0.6215
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0014 0.0275 0.0235
Mycobacterium ulcerans acyl-CoA synthetase 0.0047 0.1511 1
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0014 0.0275 0.0429
Echinococcus multilocularis musashi 0.0055 0.1791 0.8889
Trichomonas vaginalis glucosylceramidase, putative 0.0266 0.9597 0.9597
Echinococcus granulosus cpg binding protein 0.0032 0.0943 0.4505
Trichomonas vaginalis glucosylceramidase, putative 0.0175 0.6215 0.6215
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtF 0.0014 0.0275 0.0302
Plasmodium vivax acyl-CoA synthetase, putative 0.0035 0.1069 0.9285
Loa Loa (eye worm) MH2 domain-containing protein 0.0123 0.4308 0.4448
Trypanosoma cruzi trypanothione reductase, putative 0.0037 0.1133 1
Brugia malayi Bromodomain containing protein 0.0076 0.2566 0.2619
Leishmania major 4-coumarate:coa ligase-like protein 0.0047 0.1511 1
Plasmodium vivax acetyl-CoA synthetase, putative 0.0014 0.0275 0.0429
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0094 0.3238 1
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0014 0.0275 0.0235
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0014 0.0275 0.0233
Schistosoma mansoni smad1 5 8 and 0.0008 0.0072 0.0003
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.0647 0.2977
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0013 0.0237 0.0408

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 0.6 uM Antimycobacterial activity against Mycobacterium tuberculosis H37Rv after 16 to 24 hrs by microplate alamar ChEMBL. 20000577
MIC (functional) = 6.3 uM Antimycobacterial activity against Mycobacterium tuberculosis H37Rv expressing pFCA-luxAB after 10 days by low-oxygen recovery assay ChEMBL. 20000577

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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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