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

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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