Detailed information for compound 598464

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 383.403 | Formula: C22H17N5O2
  • H donors: 2 H acceptors: 4 LogP: 3.75 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1ccc(cc1)Nc1c(cnc2c1ccc(c2)c1c(C)noc1C)C(=O)N
  • InChi: 1S/C22H17N5O2/c1-12-20(13(2)29-27-12)15-5-8-17-19(9-15)25-11-18(22(24)28)21(17)26-16-6-3-14(10-23)4-7-16/h3-9,11H,1-2H3,(H2,24,28)(H,25,26)
  • InChiKey: CYKCDXBUONEHIT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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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
Schistosoma mansoni hypothetical protein 0.0031 0.0288 0.0419
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0012 0.0019 0.0019
Mycobacterium ulcerans acyl-CoA synthetase 0.0017 0.0088 0.0016
Trichomonas vaginalis antibiotic synthetase, putative 0.0017 0.0088 0.0023
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0123 0.1151
Brugia malayi hypothetical protein 0.0468 0.6478 0.6478
Loa Loa (eye worm) transcription factor SMAD2 0.0716 1 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0095 0.1203 0.1203
Schistosoma mansoni hypothetical protein 0.0495 0.6868 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0017 0.0088 0.0016
Toxoplasma gondii thioredoxin reductase 0.0047 0.051 0.5622
Mycobacterium ulcerans long-chain-acyl-CoA synthetase 0.0379 0.5225 1
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0017 0.0088 0.004
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0017 0.0088 0.0127
Schistosoma mansoni smad 0.0049 0.0543 0.079
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0123 0.0084
Loa Loa (eye worm) hypothetical protein 0.0468 0.6478 0.6478
Trichomonas vaginalis penicillin-binding protein, putative 0.0071 0.0855 0.2185
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0123 1
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0016 0.0079 0.0116
Plasmodium falciparum glutathione reductase 0.0016 0.0079 0.0246
Loa Loa (eye worm) hypothetical protein 0.0022 0.016 0.016
Echinococcus multilocularis Niemann Pick C1 protein 0.0144 0.1898 0.2764
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0106 0.1355 0.2138
Echinococcus granulosus geminin 0.0495 0.6868 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0071 0.0855 0.0855
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0015 0.0068 0.0099
Schistosoma mansoni hypothetical protein 0.0495 0.6868 1
Mycobacterium leprae possible long-chain acyl-CoA synthase 0.0362 0.4989 1
Echinococcus granulosus Niemann Pick C1 protein 0.0144 0.1898 0.2764
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0106 0.1355 0.2138
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0017 0.0088 0.0016
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0047 0.051 0.0786
Brugia malayi isocitrate dehydrogenase 0.0015 0.0068 0.0068
Trichomonas vaginalis glutaminase, putative 0.0267 0.3629 1
Schistosoma mansoni ap endonuclease 0.0019 0.0123 0.0179
Brugia malayi beta-lactamase family protein 0.0071 0.0855 0.0855
Loa Loa (eye worm) Smad1 0.0049 0.0543 0.0543
Trichomonas vaginalis D-aminoacylase, putative 0.0071 0.0855 0.2185
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0123 0.0166
Plasmodium vivax thioredoxin reductase, putative 0.0047 0.051 0.5622
Plasmodium vivax acetyl-CoA synthetase, putative 0.0017 0.0088 0.0252
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0017 0.0088 0.004
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0079 0.0024
Loa Loa (eye worm) glutaminase 0.0267 0.3629 0.3629
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0123 0.0123
Schistosoma mansoni hypothetical protein 0.0031 0.0288 0.0419
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0351 0.0512
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0123 0.0179
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.0079 0.0079
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0022 0.0164 0.0238
Mycobacterium ulcerans peptide synthetase Nrp (peptide synthase) 0.0017 0.0088 0.0016
Schistosoma mansoni hypothetical protein 0.0067 0.0795 0.1157
Loa Loa (eye worm) thioredoxin reductase 0.0047 0.051 0.051
Schistosoma mansoni smad1 5 8 and 0.0049 0.0543 0.079
Mycobacterium ulcerans acyl-CoA synthetase 0.0017 0.0088 0.0016
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0017 0.0088 0.0109
Schistosoma mansoni acetyl-CoA synthetase 0.0017 0.0088 0.0127
Loa Loa (eye worm) nuclear factor I 0.0027 0.0233 0.0233
Plasmodium falciparum acetyl-CoA synthetase, putative 0.0017 0.0088 0.0413
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0017 0.0088 0.004
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0088 0.0109
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0123 0.0123
Loa Loa (eye worm) MH1 domain-containing protein 0.0049 0.0543 0.0543
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0017 0.0088 0.0088
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0017 0.0088 0.0109
Brugia malayi mothers against decapentaplegic homolog 3 0.0022 0.016 0.016
Echinococcus multilocularis geminin 0.0495 0.6868 1
Schistosoma mansoni gabp alpha 0.0072 0.0878 0.1278
Echinococcus granulosus expressed conserved protein 0.0095 0.1197 0.1742
Loa Loa (eye worm) hypothetical protein 0.0097 0.1232 0.1232
Loa Loa (eye worm) hypothetical protein 0.0053 0.0604 0.0604
Mycobacterium ulcerans acyl-CoA synthetase 0.0017 0.0088 0.0016
Leishmania major trypanothione reductase 0.0047 0.051 0.0899
Mycobacterium tuberculosis Probable reductase 0.0106 0.1355 0.2138
Brugia malayi MH1 domain containing protein 0.0027 0.0233 0.0233
Echinococcus granulosus long chain fatty acid transport protein 4 0.0367 0.5057 0.7363
Toxoplasma gondii LsmAD domain-containing protein 0.0049 0.0548 0.61
Echinococcus granulosus GA binding protein alpha chain 0.0072 0.0878 0.1278
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0118 0.1523 0.2928
Brugia malayi Ets-domain containing protein 0.0072 0.0878 0.0878
Mycobacterium ulcerans O-succinylbenzoic acid--CoA ligase 0.0017 0.0088 0.0016
Brugia malayi CXXC zinc finger family protein 0.0028 0.0248 0.0248
Mycobacterium tuberculosis Probable dehydrogenase 0.0106 0.1355 0.2138
Echinococcus granulosus Smad4 0.0049 0.0543 0.079
Trypanosoma cruzi fatty acid transporter protein-like, putative 0.0367 0.5057 1
Onchocerca volvulus 0.0095 0.1203 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0017 0.0088 0.0016
Brugia malayi glutaminase DH11.1 0.0267 0.3629 0.3629
Schistosoma mansoni patched 1 0.0043 0.0466 0.0678
Toxoplasma gondii propionate-CoA ligase 0.0017 0.0088 0.0252
Schistosoma mansoni Smad4 0.0022 0.016 0.0233
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0071 0.0855 0.1338
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0016 0.0079 0.0024
Entamoeba histolytica hypothetical protein 0.0035 0.0351 0.2206
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0123 1
Echinococcus multilocularis mothers against decapentaplegic 6 0.0022 0.016 0.0233
Brugia malayi Fli-1 protein 0.022 0.2969 0.2969
Mycobacterium ulcerans hypothetical protein 0.0017 0.0088 0.0016
Onchocerca volvulus 0.0071 0.0855 0.6882
Trypanosoma brucei acetyl-CoA synthetase, putative 0.0017 0.0088 0.0252
Trichomonas vaginalis antibiotic synthetase, putative 0.0017 0.0088 0.0023
Brugia malayi hypothetical protein 0.0049 0.0548 0.0548
Entamoeba histolytica hypothetical protein 0.0035 0.0351 0.2206
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0079 0.0024
Leishmania major 4-coumarate:coa ligase-like protein 0.0017 0.0088 0.004
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0079 0.0024
Brugia malayi AMP-binding enzyme family protein 0.0379 0.5225 0.5225
Plasmodium falciparum ataxin-2 like protein, putative 0.0049 0.0548 1
Mycobacterium ulcerans phenyloxazoline synthase MbtB 0.0017 0.0088 0.0016
Mycobacterium tuberculosis Probable oxidoreductase 0.0118 0.1523 0.2407
Loa Loa (eye worm) hypothetical protein 0.0071 0.0855 0.0855
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0079 0.0024
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0123 0.0122
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0012 0.0019 0.0019
Schistosoma mansoni hypothetical protein 0.0042 0.0444 0.0646
Echinococcus granulosus smad 0.0049 0.0543 0.079
Brugia malayi beta-lactamase family protein 0.0071 0.0855 0.0855
Echinococcus multilocularis mothers against decapentaplegic 5 0.0049 0.0543 0.079
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0017 0.0088 0.0109
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtF 0.0017 0.0088 0.0016
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0118 0.1523 0.2407
Toxoplasma gondii NADPH-glutathione reductase 0.0016 0.0079 0.015
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0017 0.0088 0.0088
Loa Loa (eye worm) beta-lactamase 0.0071 0.0855 0.0855
Leishmania major hypothetical protein, conserved 0.0071 0.0855 0.16
Brugia malayi beta-lactamase 0.0071 0.0855 0.0855
Plasmodium falciparum thioredoxin reductase 0.0016 0.0079 0.0246
Echinococcus granulosus mothers against decapentaplegic 5 0.0049 0.0543 0.079
Brugia malayi Isocitrate dehydrogenase 0.0015 0.0068 0.0068
Echinococcus multilocularis mothers against decapentaplegic 2 0.0022 0.016 0.0233
Brugia malayi Niemann-Pick C1 protein precursor 0.0101 0.1283 0.1283
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0043 0.0466 0.0466
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0022 0.0164 0.0238
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0379 0.5225 0.5225
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.0288 0.0419
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0015 0.0068 0.0077
Echinococcus granulosus cpg binding protein 0.003 0.0271 0.0394
Echinococcus multilocularis survival motor neuron protein 1 0.0468 0.6478 0.9433
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0097 0.1232 0.1232
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0071 0.0855 0.1245
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0017 0.0088 0.0252
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0123 0.0112
Loa Loa (eye worm) fli-1 protein 0.022 0.2969 0.2969
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0123 0.0702
Echinococcus multilocularis protein dispatched 1 0.0049 0.0553 0.0805
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0017 0.0088 0.0016
Mycobacterium tuberculosis Probable esterase LipL 0.0071 0.0855 0.1338
Loa Loa (eye worm) hypothetical protein 0.0071 0.0855 0.0855
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0079 0.015
Mycobacterium ulcerans lipase LipD 0.0071 0.0855 0.1507
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0068 0.0099
Loa Loa (eye worm) MH2 domain-containing protein 0.0022 0.016 0.016
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0017 0.0088 0.0109
Trypanosoma cruzi hypothetical protein, conserved 0.0071 0.0855 0.1578
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0016 0.0079 0.0116
Brugia malayi latrophilin 2 splice variant baaae 0.0067 0.0795 0.0795
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0016 0.0079 0.0024
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0079 0.0024
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0288 0.0288
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0079 0.0024
Mycobacterium leprae Probable lipase LipE 0.0071 0.0855 0.1566
Loa Loa (eye worm) hypothetical protein 0.0101 0.1283 0.1283
Echinococcus multilocularis cpg binding protein 0.003 0.0271 0.0394
Schistosoma mansoni glutaminase 0.0267 0.3629 0.5284
Trichomonas vaginalis D-aminoacylase, putative 0.0071 0.0855 0.2185
Loa Loa (eye worm) MH2 domain-containing protein 0.0049 0.0543 0.0543
Plasmodium falciparum ataxin-2 like protein, putative 0.0049 0.0548 1
Toxoplasma gondii exonuclease III APE 0.0019 0.0123 0.0702
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0017 0.0088 0.0109
Loa Loa (eye worm) hypothetical protein 0.0043 0.0466 0.0466
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0017 0.0088 0.0252
Brugia malayi MH2 domain containing protein 0.0049 0.0543 0.0543
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.0288 0.0419
Brugia malayi MH2 domain containing protein 0.0049 0.0543 0.0543
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0016 0.0079 0.015
Brugia malayi AMP-binding enzyme family protein 0.0017 0.0088 0.0088
Trichomonas vaginalis penicillin-binding protein, putative 0.0071 0.0855 0.2185
Echinococcus multilocularis Smad4 0.0049 0.0543 0.079
Echinococcus multilocularis GPCR, family 2 0.0031 0.0288 0.0419
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0079 0.0024
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0017 0.0088 0.0016
Trichomonas vaginalis D-aminoacylase, putative 0.0071 0.0855 0.2185
Brugia malayi AMP-binding enzyme family protein 0.0017 0.0088 0.0088
Loa Loa (eye worm) hypothetical protein 0.0071 0.0855 0.0855
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0123 0.0111
Mycobacterium tuberculosis Probable hydrolase 0.0071 0.0855 0.1338
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0071 0.0855 0.1338
Leishmania major hypothetical protein, conserved 0.0049 0.0548 0.0976
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0016 0.0079 0.0246
Leishmania major 4-coumarate:coa ligase-like protein 0.0017 0.0088 0.004
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0017 0.0088 0.0088
Schistosoma mansoni hypothetical protein 0.0031 0.0288 0.0419
Trypanosoma cruzi trypanothione reductase, putative 0.0047 0.051 0.0887
Brugia malayi MH1 domain containing protein 0.0027 0.0233 0.0233
Mycobacterium ulcerans acyl-CoA synthetase 0.0017 0.0088 0.0016
Mycobacterium ulcerans acyl-CoA synthetase 0.0017 0.0088 0.0016
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0016 0.0079 0.015
Echinococcus multilocularis isocitrate dehydrogenase 0.0015 0.0068 0.0099
Leishmania major acetyl-CoA synthetase, putative 0.0017 0.0088 0.004
Loa Loa (eye worm) hypothetical protein 0.0067 0.0795 0.0795
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0351 0.0512
Loa Loa (eye worm) isocitrate dehydrogenase 0.0015 0.0068 0.0068
Mycobacterium tuberculosis Conserved protein 0.0071 0.0855 0.1338
Schistosoma mansoni survival motor neuron protein 0.0095 0.1203 0.1751
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0015 0.0068 0.0099
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0079 0.0024
Echinococcus granulosus beta LACTamase domain containing family member 0.0071 0.0855 0.1245
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0016 0.0079 0.0246
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0123 0.0122
Schistosoma mansoni hypothetical protein 0.0095 0.1203 0.1751
Loa Loa (eye worm) glutathione reductase 0.0047 0.051 0.051
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0071 0.0855 0.1245
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0079 0.0024
Echinococcus multilocularis Niemann Pick C1 protein 0.0101 0.1283 0.1869
Loa Loa (eye worm) hypothetical protein 0.0017 0.0088 0.0088
Trypanosoma brucei PAB1-binding protein , putative 0.0049 0.0548 0.61
Mycobacterium ulcerans acyl-CoA synthetase 0.0017 0.0088 0.0016
Echinococcus multilocularis long chain fatty acid transport protein 4 0.0367 0.5057 0.7363
Loa Loa (eye worm) hypothetical protein 0.0017 0.0088 0.0088
Schistosoma mansoni FFA transport protein 0.0367 0.5057 0.7363
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0049 0.0543 0.079
Schistosoma mansoni hypothetical protein 0.0031 0.0288 0.0419
Onchocerca volvulus Mothers against decapentaplegic homolog 0.0022 0.016 0.0651
Echinococcus granulosus survival motor neuron protein 1 0.0468 0.6478 0.9433
Mycobacterium ulcerans esterase/lipase LipP 0.0071 0.0855 0.1507
Mycobacterium ulcerans acetyl-CoA synthetase 0.0017 0.0088 0.0016
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0016 0.0079 0.015
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0248 0.0248
Echinococcus granulosus Niemann Pick C1 protein 0.0101 0.1283 0.1869
Echinococcus multilocularis thioredoxin glutathione reductase 0.0047 0.051 0.0743
Echinococcus granulosus thioredoxin glutathione reductase 0.0047 0.051 0.0743
Brugia malayi hypothetical protein 0.0035 0.0351 0.0351
Leishmania major fatty acid transporter protein-like protein 0.0362 0.4989 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0017 0.0088 0.0016
Schistosoma mansoni hypothetical protein 0.0042 0.0444 0.0646
Schistosoma mansoni cpg binding protein 0.003 0.0271 0.0394
Loa Loa (eye worm) hypothetical protein 0.0031 0.0288 0.0288
Trypanosoma cruzi PAB1-binding protein , putative 0.0049 0.0548 0.0963
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0017 0.0088 0.0109
Echinococcus multilocularis sterol regulatory element binding protein 0.0043 0.0466 0.0678
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.0017 0.0088 0.0252
Plasmodium vivax ataxin-2 like protein, putative 0.0049 0.0548 0.61
Schistosoma mansoni Smad4 0.0049 0.0543 0.079
Schistosoma mansoni cpg binding protein 0.003 0.0271 0.0394
Brugia malayi Ets-domain containing protein 0.0072 0.0878 0.0878
Brugia malayi AMP-binding enzyme family protein 0.0017 0.0088 0.0088
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0106 0.1355 0.2138
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD6 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0362 0.4989 0.7956
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0072 0.0878 0.0878
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0016 0.0079 0.0116
Schistosoma mansoni hypothetical protein 0.0022 0.0164 0.0238
Leishmania major 4-coumarate:coa ligase-like protein 0.0017 0.0088 0.004
Schistosoma mansoni Smad4 0.0022 0.016 0.0233
Mycobacterium ulcerans acyl-CoA synthetase 0.0017 0.0088 0.0016
Trypanosoma cruzi fatty acid transporter protein-like, putative 0.0367 0.5057 1
Brugia malayi AMP-binding enzyme family protein 0.0017 0.0088 0.0088
Schistosoma mansoni ap endonuclease 0.0019 0.0123 0.0179
Loa Loa (eye worm) hypothetical protein 0.0049 0.0548 0.0548
Loa Loa (eye worm) MH2 domain-containing protein 0.0716 1 1
Onchocerca volvulus 0.0071 0.0855 0.6882
Mycobacterium leprae conserved hypothetical protein 0.0071 0.0855 0.1566
Trypanosoma brucei hypothetical protein, conserved 0.0071 0.0855 1
Schistosoma mansoni smad 0.0022 0.016 0.0233
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0088 0.0109
Plasmodium vivax hypothetical protein, conserved 0.0071 0.0855 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0351 0.0512
Loa Loa (eye worm) oxidoreductase 0.0017 0.0088 0.0088
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0017 0.0088 0.0109
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0106 0.1355 0.2138
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0288 0.0288
Loa Loa (eye worm) MH1 domain-containing protein 0.0022 0.016 0.016
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0016 0.0079 0.015
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0049 0.0543 0.079
Loa Loa (eye worm) hypothetical protein 0.0071 0.0855 0.0855
Echinococcus granulosus mothers against decapentaplegic 2 0.0022 0.016 0.0233
Echinococcus multilocularis GA binding protein alpha chain 0.0072 0.0878 0.1278
Brugia malayi MH2 domain containing protein 0.0022 0.016 0.016
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0059 0.0693 0.1009
Plasmodium falciparum glutathione reductase 0.0047 0.051 0.9216
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0088 0.0109
Loa Loa (eye worm) hypothetical protein 0.0062 0.0729 0.0729
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0123 1
Echinococcus granulosus Protein patched homolog 1 0.0043 0.0466 0.0678
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0016 0.0079 0.0096
Toxoplasma gondii ABC1 family protein 0.0071 0.0855 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0097 0.1232 0.1232
Mycobacterium tuberculosis Probable lipase LipD 0.0071 0.0855 0.1338
Echinococcus granulosus GPCR family 2 0.0031 0.0288 0.0419
Brugia malayi Thioredoxin reductase 0.0047 0.051 0.051
Loa Loa (eye worm) hypothetical protein 0.0017 0.0088 0.0088
Loa Loa (eye worm) glutaminase 2 0.0267 0.3629 0.3629
Mycobacterium tuberculosis Conserved protein 0.0071 0.0855 0.1338
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0101 0.1283 1
Brugia malayi AMP-binding enzyme family protein 0.0017 0.0088 0.0088
Brugia malayi glutathione reductase 0.0047 0.051 0.051
Mycobacterium ulcerans acyl-CoA synthetase 0.0017 0.0088 0.0016
Echinococcus granulosus sterol regulatory element binding protein 0.0043 0.0466 0.0678
Mycobacterium ulcerans bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase 0.0017 0.0088 0.0016
Schistosoma mansoni cpg binding protein 0.0028 0.0248 0.0361
Trichomonas vaginalis esterase, putative 0.0071 0.0855 0.2185
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0123 0.0296
Mycobacterium ulcerans hypothetical protein 0.0071 0.0855 0.1507
Schistosoma mansoni smad1 5 8 and 0.0049 0.0543 0.079
Brugia malayi MH1 domain containing protein 0.0049 0.0543 0.0543
Loa Loa (eye worm) hypothetical protein 0.0071 0.0855 0.0855
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0015 0.0068 0.0099
Entamoeba histolytica hypothetical protein 0.0035 0.0351 0.2206
Plasmodium falciparum thioredoxin reductase 0.0047 0.051 0.9216
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0016 0.0079 0.5
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0079 0.015
Brugia malayi Smad1 0.0049 0.0543 0.0543
Mycobacterium tuberculosis Probable lipase LipE 0.0071 0.0855 0.1338
Echinococcus granulosus mothers against decapentaplegic 6 0.0022 0.016 0.0233
Trypanosoma cruzi hypothetical protein, conserved 0.0071 0.0855 0.1578
Trypanosoma cruzi trypanothione reductase, putative 0.0016 0.0079 0.0024
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtE 0.0017 0.0088 0.0016
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0103 0.1306 0.1901
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0288 0.0288
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0288 0.0419
Trypanosoma cruzi PAB1-binding protein , putative 0.0049 0.0548 0.0963
Loa Loa (eye worm) hypothetical protein 0.0027 0.0233 0.0233
Loa Loa (eye worm) hypothetical protein 0.0071 0.0855 0.0855
Onchocerca volvulus 0.0028 0.0248 0.1439
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0016 0.0079 0.015
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0071 0.0855 0.1338
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0068 0.0099
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0017 0.0088 0.004
Mycobacterium ulcerans acyl-CoA synthetase 0.0017 0.0088 0.0016
Trypanosoma brucei trypanothione reductase 0.0047 0.051 0.5622
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0106 0.1355 0.2586
Schistosoma mansoni hypothetical protein 0.0035 0.0351 0.0512
Echinococcus multilocularis smad 0.0049 0.0543 0.079
Echinococcus granulosus dnaJ subfamily B 0.0399 0.5504 0.8014
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0017 0.0088 0.0127
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0466 0.1088
Schistosoma mansoni smad1 5 8 and 0.0049 0.0543 0.079
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0453 0.6265 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0017 0.0088 0.0016
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0123 0.0179
Echinococcus granulosus TGF beta signal transducer SmadC 0.0049 0.0543 0.079
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0071 0.0855 0.0855
Schistosoma mansoni hypothetical protein 0.0042 0.0444 0.0646
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0088 0.0109
Brugia malayi MH1 domain containing protein 0.0049 0.0543 0.0543
Plasmodium vivax glutathione reductase, putative 0.0047 0.051 0.5622
Toxoplasma gondii histone lysine methyltransferase SET1 0.0053 0.0603 0.6799
Echinococcus multilocularis beta LACTamase domain containing family member 0.0071 0.0855 0.1245
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0118 0.1523 0.2407
Leishmania major acetyl-CoA synthetase, putative 0.0017 0.0088 0.004
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0079 0.0024
Onchocerca volvulus 0.0071 0.0855 0.6882
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0068 0.0099
Entamoeba histolytica hypothetical protein 0.0035 0.0351 0.2206
Brugia malayi CHE-14 protein 0.0043 0.0466 0.0466
Schistosoma mansoni hypothetical protein 0.0042 0.0444 0.0646
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0288 0.0419
Brugia malayi Calcitonin receptor-like protein seb-1 0.0097 0.1232 0.1232
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0017 0.0088 0.0109
Leishmania major long-chain-fatty-acid-CoA ligase, putative 0.0017 0.0088 0.004
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0123 0.0111
Echinococcus multilocularis dnaJ subfamily B 0.0399 0.5504 0.8014
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0071 0.0855 0.1507
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0088 0.0109
Mycobacterium ulcerans glutaminase 0.0267 0.3629 0.6898
Mycobacterium ulcerans beta-lactamase 0.0071 0.0855 0.1507
Brugia malayi AMP-binding enzyme family protein 0.0017 0.0088 0.0088
Mycobacterium tuberculosis Conserved protein 0.0071 0.0855 0.1338
Schistosoma mansoni ets-related 0.022 0.2969 0.4323
Echinococcus multilocularis expressed conserved protein 0.0095 0.1197 0.1742
Loa Loa (eye worm) hypothetical protein 0.0017 0.0088 0.0088
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0123 0.0702
Loa Loa (eye worm) hypothetical protein 0.0017 0.0088 0.0088
Echinococcus multilocularis protein patched 0.0043 0.0466 0.0678
Brugia malayi hypothetical protein 0.0032 0.0301 0.0301
Schistosoma mansoni hypothetical protein 0.0399 0.5504 0.8014

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 4.62 % ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmPfHT that are glucose transport deficient and complemented with the Plasmodium falciparum hexose transporter. Activity is measured by by DNA content using SYBR green in vitro ChEMBL. No reference
Inhibition (functional) = 4.95 % ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGLUT1 that are glucose transport deficient and complemented with the human glucose transporter GLUT1. Activity is measured by DNA content using SYBR green in vitro ChEMBL. No reference
Inhibition (functional) = 5 % ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGT2 that are glucose transport deficient and complemented with the L. Mexicana glucose transporter 2. Activity is measured by by DNA content using SYBR green in vitro ChEMBL. No reference
Inhibition (functional) = 6 % GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM. ChEMBL. 20485427
Inhibition (functional) = 7 % GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 LDH activity, using an LDH reporter assay. Test compounds present at 2uM ChEMBL. 20485427
Inhibition (functional) = 73 % GSK_TCMDC: Inhibition of Plasmodium falciparum Dd2 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM ChEMBL. 20485427
Inhibition (functional) = 97 % GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM ChEMBL. 20485427
Inhibition frequency index (IFI) (functional) = 4.03 Inhibition Frequency Index (IFI) GSK. 20485427
Percent growth inhibition (functional) = 6 % Percent inhibition of HepG2 growth (at 10 uM) GSK. 20485427
Percent growth inhibition (functional) = 7 % Percent inhibition of P. falciparum lactate dehydrogenase activity (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 73 % Percent inhibition of P. falciparum Dd2 growth (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 97 % Percent inhibition of P. falciparum 3D7 growth (at 2 uM) GSK. 20485427
XC50 (functional) = 6.12 XC50 determination of P. falciparum 3D7 growth GSK. 20485427
XC50 (functional) = 0.75465 uM GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole erythrocytes, using parasite LDH activity as an index of growth. ChEMBL. 20485427

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

1 literature reference was collected for this gene.

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