Detailed information for compound 1103265

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 215.25 | Formula: C9H17N3O3
  • H donors: 0 H acceptors: 3 LogP: -0.36 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN1CCN(CC1)C(=O)CC[N+](=O)[O-]
  • InChi: 1S/C9H17N3O3/c1-2-10-5-7-11(8-6-10)9(13)3-4-12(14)15/h2-8H2,1H3
  • InChiKey: CROSWBVCHXQHNT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mycobacterium tuberculosis Isocitrate lyase Icl (isocitrase) (isocitratase) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium ulcerans isocitrate lyase AceAb Get druggable targets OG5_129572 All targets in OG5_129572
Candida albicans isocitrate lyase capable of functionally substituting for S. cerevisiae ICL1 (YER065C) Get druggable targets OG5_129572 All targets in OG5_129572
Mycobacterium ulcerans isocitrate lyase Icl Get druggable targets OG5_129572 All targets in OG5_129572
Mycobacterium leprae PROBABLE ISOCITRATE LYASE AceA (ISOCITRASE) (ISOCITRATASE) (ICL) Get druggable targets OG5_129572 All targets in OG5_129572
Mycobacterium tuberculosis Isocitrate lyase Icl (isocitrase) (isocitratase) Get druggable targets OG5_129572 All targets in OG5_129572
Mycobacterium tuberculosis Probable isocitrate lyase AceAa [first part] (isocitrase) (isocitratase) (Icl) Get druggable targets OG5_129572 All targets in OG5_129572
Mycobacterium tuberculosis Probable isocitrate lyase AceAb [second part] (isocitrase) (isocitratase) (Icl) Get druggable targets OG5_129572 All targets in OG5_129572
Candida albicans isocitrate lyase capable of functionally substituting for S. cerevisiae ICL1 (YER065C) Get druggable targets OG5_129572 All targets in OG5_129572
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 multilocularis inositol monophosphatase 0.0008 0.0024 0.0009
Echinococcus multilocularis 3'(2'),5' bisphosphate nucleotidase 1 0.0008 0.0024 0.0009
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0317 0.0611
Echinococcus granulosus mitogen activated protein kinase 3 0.0057 0.0803 0.1057
Brugia malayi Glycosyl hydrolases family 31 protein 0.0014 0.0113 0.0196
Echinococcus granulosus neuropeptide receptor A26 0.0469 0.7454 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0009 0.0035 0.0037
Echinococcus multilocularis muscleblind protein 1 0.0312 0.4914 0.6585
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0317 0.03
Mycobacterium ulcerans fatty-acid-CoA ligase 0.002 0.0209 0.0193
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0484 0.1242
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0484 0.1242
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0009 0.0035 0.0024
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0363 0.0465
Schistosoma mansoni ap endonuclease 0.002 0.0219 0.0308
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.007 0.1013 0.0997
Leishmania major T-complex protein 1, beta subunit, putative 0.0025 0.0289 0.2409
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0025 0.0299 1
Plasmodium vivax acyl-CoA synthetase, putative 0.002 0.0209 0.3703
Mycobacterium tuberculosis Isocitrate lyase Icl (isocitrase) (isocitratase) 0.0627 1 1
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.009 0.1336 0.2693
Echinococcus granulosus Smad4 0.0009 0.0035 0.0024
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0391 0.0503
Onchocerca volvulus 0.0031 0.0391 0.0995
Mycobacterium ulcerans aldehyde dehydrogenase 0.0065 0.0947 0.0931
Toxoplasma gondii histone lysine methyltransferase SET1 0.0056 0.0801 0.6951
Mycobacterium tuberculosis Conserved protein 0.004 0.0536 0.0536
Echinococcus granulosus beta LACTamase domain containing family member 0.004 0.0536 0.0698
Schistosoma mansoni Smad4 0.0009 0.0035 0.0028
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0056 0.0052
Trichomonas vaginalis inositol monophosphatase, putative 0.0078 0.1144 0.2997
Trichomonas vaginalis alpha-glucosidase, putative 0.0014 0.0113 0.0255
Loa Loa (eye worm) hypothetical protein 0.004 0.0536 0.106
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0219 0.1793
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0391 0.0503
Echinococcus multilocularis inositol monophosphatase 1 0.0078 0.1144 0.1515
Schistosoma mansoni inositol monophosphatase 0.0078 0.1144 0.1717
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0025 0.0289 0.0414
Mycobacterium tuberculosis Monophosphatase CysQ 0.0008 0.0024 0.0024
Schistosoma mansoni hypothetical protein 0.0052 0.0725 0.1078
Echinococcus granulosus muscleblind protein 0.0312 0.4914 0.6585
Echinococcus multilocularis GPCR, family 2 0.0052 0.0725 0.0952
Echinococcus granulosus mitogen activated protein kinase 0.0057 0.0803 0.1057
Loa Loa (eye worm) T-complex protein 1 0.0025 0.0289 0.0554
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.009 0.1336 0.2009
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.004 0.0536 0.052
Loa Loa (eye worm) hypothetical protein 0.0312 0.4914 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0209 0.0392
Loa Loa (eye worm) hypothetical protein 0.0008 0.0024 0.0014
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0219 0.0413
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0026 0.0317 0.03
Echinococcus granulosus L aminoadipate semialdehyde 0.009 0.1336 0.1773
Loa Loa (eye worm) hypothetical protein 0.0153 0.2364 0.4791
Trichomonas vaginalis chaperonin, putative 0.0025 0.0289 0.0722
Trypanosoma brucei inositol polyphosphate 1-phosphatase, putative 0.0008 0.0024 0.006
Giardia lamblia TCP-1 chaperonin subunit beta 0.0025 0.0289 0.3396
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative 0.0008 0.0024 0.006
Echinococcus granulosus chaperonin containing TCP1 subunit 2 beta 0.0025 0.0289 0.0365
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0025 0.0299 0.0859
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0078 0.1144 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0117 0.0203
Loa Loa (eye worm) hypothetical protein 0.0163 0.2523 0.5116
Mycobacterium ulcerans isocitrate lyase Icl 0.0627 1 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.003 0.0375 0.073
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0025 0.0289 0.0414
Echinococcus granulosus TGF beta signal transducer SmadC 0.0009 0.0035 0.0024
Brugia malayi MAP kinase sur-1 0.0057 0.0803 0.1605
Trichomonas vaginalis CMGC family protein kinase 0.0057 0.0803 0.2091
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0219 0.0202
Trypanosoma cruzi myo-inositol-1 phosphatase, putative 0.0008 0.0024 0.006
Loa Loa (eye worm) hypothetical protein 0.0029 0.0366 0.0712
Echinococcus multilocularis cpg binding protein 0.0031 0.0389 0.05
Brugia malayi cytoplasmic intermediate filament protein 0.0016 0.0151 0.0273
Brugia malayi MH2 domain containing protein 0.0009 0.0035 0.0037
Onchocerca volvulus 0.0029 0.0362 0.0918
Brugia malayi Intermediate filament tail domain containing protein 0.003 0.0375 0.073
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0008 0.0017 0.0017
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0057 0.0803 0.6978
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0008 0.0017 0.0017
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0008 0.0017 0.0017
Leishmania major glycosyl hydrolase-like protein 0.0014 0.0113 0.085
Echinococcus granulosus inositol monophosphatase 0.0008 0.0024 0.0009
Trichomonas vaginalis inositol monophosphatase, putative 0.0008 0.0024 0.0018
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0078 0.1144 1
Brugia malayi beta-lactamase 0.004 0.0536 0.106
Schistosoma mansoni hypothetical protein 0.0052 0.0725 0.1078
Echinococcus multilocularis mitogen activated protein kinase 0.0057 0.0803 0.1057
Trichomonas vaginalis CMGC family protein kinase 0.0057 0.0803 0.2091
Brugia malayi beta-lactamase family protein 0.004 0.0536 0.106
Trypanosoma brucei glycosyl hydrolase-like protein 0.0014 0.0113 0.085
Trichomonas vaginalis alpha-glucosidase, putative 0.0014 0.0113 0.0255
Brugia malayi latrophilin 2 splice variant baaae 0.0112 0.169 0.3417
Brugia malayi Calcitonin receptor-like protein seb-1 0.0163 0.2523 0.5116
Echinococcus granulosus dnaJ subfamily B 0.0415 0.6581 0.8826
Echinococcus multilocularis lamin 0.003 0.0375 0.0481
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0078 0.1144 1
Trypanosoma cruzi T-complex protein 1, beta subunit, putative 0.0025 0.0289 0.2409
Echinococcus granulosus GPCR family 2 0.0052 0.0725 0.0952
Plasmodium falciparum T-complex protein 1 subunit beta 0.0025 0.0289 0.9642
Onchocerca volvulus 0.004 0.0536 0.1381
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0212 0.3306 0.6716
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0025 0.0299 0.5423
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0052 0.0725 0.0952
Mycobacterium tuberculosis Probable monophosphatase 0.0008 0.0024 0.0024
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0536 0.1381
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0317 0.0611
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0025 0.0299 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0026 0.0317 0.03
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0008 0.0024 0.0018
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0536 0.4607
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0391 0.057
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.0219 0.2506
Mycobacterium leprae Probable lipase LipE 0.004 0.0536 0.052
Schistosoma mansoni lamin 0.003 0.0375 0.0545
Mycobacterium ulcerans isocitrate lyase AceAb 0.0627 1 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0008 0.0028 0.0014
Onchocerca volvulus 0.009 0.1336 0.3508
Mycobacterium tuberculosis Probable esterase LipL 0.004 0.0536 0.0536
Brugia malayi Glycosyl hydrolases family 31 protein 0.0037 0.0484 0.0953
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.0391 0.0503
Echinococcus granulosus mixed lineage leukemia protein mll 0.0008 0.0028 0.0014
Mycobacterium tuberculosis Probable lipase LipE 0.004 0.0536 0.0536
Brugia malayi Inositol monophosphatase family protein 0.0008 0.0024 0.0014
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0065 0.0947 0.825
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0028 0.0016
Schistosoma mansoni smad 0.0009 0.0035 0.0028
Echinococcus multilocularis L aminoadipate semialdehyde 0.009 0.1336 0.1773
Onchocerca volvulus 0.003 0.0375 0.0951
Brugia malayi intermediate filament protein 0.003 0.0375 0.073
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0014 0.0125 0.0145
Echinococcus multilocularis mitogen activated protein kinase 3 0.0057 0.0803 0.1057
Echinococcus multilocularis neuropeptide s receptor 0.0469 0.7454 1
Schistosoma mansoni hypothetical protein 0.0112 0.169 0.2549
Leishmania major phosphopantetheinyl transferase-like protein 0.0025 0.0299 0.2498
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0025 0.0299 0.0282
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0192 0.0192
Echinococcus multilocularis lysosomal alpha glucosidase 0.0165 0.2557 0.3415
Mycobacterium ulcerans lipase LipD 0.004 0.0536 0.052
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0219 0.0272
Mycobacterium tuberculosis Conserved protein 0.004 0.0536 0.0536
Echinococcus multilocularis smad 0.0009 0.0035 0.0024
Schistosoma mansoni lamin 0.003 0.0375 0.0545
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0317 0.03
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0391 0.057
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0016 0.0151 0.0273
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0025 0.0299 0.0282
Plasmodium vivax SET domain protein, putative 0.0031 0.0391 0.7205
Loa Loa (eye worm) hypothetical protein 0.002 0.0209 0.0392
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0052 0.0725 0.0952
Mycobacterium tuberculosis Probable lipase LipD 0.004 0.0536 0.0536
Loa Loa (eye worm) transcription factor SMAD2 0.013 0.1985 0.4018
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.007 0.1013 0.1013
Entamoeba histolytica acyl-CoA synthetase, putative 0.0026 0.0317 0.2656
Mycobacterium ulcerans aldehyde dehydrogenase 0.0065 0.0947 0.0931
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.002 0.0209 0.0209
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0057 0.0803 0.6978
Loa Loa (eye worm) beta-lactamase 0.004 0.0536 0.106
Echinococcus granulosus lamin 0.003 0.0375 0.0481
Entamoeba histolytica acyl-coA synthetase, putative 0.0026 0.0317 0.2656
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0317 0.03
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0014 0.0113 0.085
Entamoeba histolytica acyl-CoA synthetase, putative 0.0026 0.0317 0.2656
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0391 0.057
Loa Loa (eye worm) intermediate filament protein 0.003 0.0375 0.073
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0484 0.4142
Brugia malayi MH1 domain containing protein 0.0009 0.0035 0.0037
Loa Loa (eye worm) inositol-1 0.0078 0.1144 0.2301
Onchocerca volvulus 0.0241 0.3776 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0026 0.0317 0.0317
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.004 0.0536 0.106
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0037 0.0484 0.1242
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0009 0.0035 0.0028
Echinococcus multilocularis neutral alpha glucosidase AB 0.0037 0.0484 0.0628
Schistosoma mansoni hypothetical protein 0.0052 0.0725 0.1078
Mycobacterium ulcerans hypothetical protein 0.0026 0.0317 0.03
Brugia malayi Inositol monophosphatase family protein 0.0008 0.0024 0.0014
Schistosoma mansoni alpha glucosidase 0.0037 0.0484 0.0711
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0037 0.0484 0.0953
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0536 0.1381
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0219 0.0272
Leishmania major alpha glucosidase II subunit, putative 0.0037 0.0484 0.4142
Loa Loa (eye worm) hypothetical protein 0.0014 0.0117 0.0203
Echinococcus multilocularis musashi 0.003 0.0375 0.0481
Brugia malayi MH2 domain containing protein 0.013 0.1985 0.4018
Loa Loa (eye worm) hypothetical protein 0.0026 0.0317 0.0611
Toxoplasma gondii exonuclease III APE 0.002 0.0219 0.1793
Echinococcus multilocularis beta LACTamase domain containing family member 0.004 0.0536 0.0698
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0008 0.0017 0.0017
Leishmania major inositol polyphosphate 1-phosphatase, putative 0.0008 0.0024 0.006
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0008 0.0017 0.0017
Schistosoma mansoni hypothetical protein 0.0052 0.0725 0.1078
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0255 0.4004 0.4004
Schistosoma mansoni alpha-glucosidase 0.0142 0.2186 0.3304
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0014 0.0125 0.0145
Mycobacterium leprae POSSIBLE MONOPHOSPHATASE CYSQ 0.0008 0.0024 0.0007
Loa Loa (eye worm) hypothetical protein 0.0031 0.0391 0.0764
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0057 0.0803 0.6978
Trichomonas vaginalis maltase-glucoamylase, putative 0.0037 0.0484 0.1242
Echinococcus granulosus neuropeptide s receptor 0.0469 0.7454 1
Brugia malayi Muscleblind-like protein 0.0312 0.4914 1
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0057 0.0803 0.1605
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0057 0.0803 0.6978
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0065 0.0947 0.0947
Leishmania major myo-inositol-1 phosphatase, putative 0.0008 0.0024 0.006
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0037 0.0484 0.4142
Mycobacterium ulcerans inositol-monophosphatase ImpA 0.0008 0.0024 0.0007
Schistosoma mansoni smad1 5 8 and 0.0009 0.0035 0.0028
Schistosoma mansoni cpg binding protein 0.0031 0.0389 0.0567
Schistosoma mansoni hypothetical protein 0.0008 0.0024 0.001
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative 0.0008 0.0024 0.006
Loa Loa (eye worm) hypothetical protein 0.0014 0.0125 0.0221
Mycobacterium tuberculosis Probable conserved lipoprotein 0.004 0.0536 0.0536
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0317 0.0611
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0219 0.3893
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0219 0.0413
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0219 0.0537
Trichomonas vaginalis CMGC family protein kinase 0.0057 0.0803 0.2091
Loa Loa (eye worm) hypothetical protein 0.0112 0.169 0.3417
Giardia lamblia Kinase, CMGC MAPK 0.0057 0.0803 1
Trichomonas vaginalis sucrase-isomaltase, putative 0.0037 0.0484 0.1242
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0026 0.0317 0.03
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.004 0.0536 0.106
Trichomonas vaginalis CMGC family protein kinase 0.0057 0.0803 0.2091
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0219 0.1793
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0078 0.1144 1
Onchocerca volvulus 0.004 0.0536 0.1381
Trichomonas vaginalis alpha-glucosidase, putative 0.0014 0.0113 0.0255
Mycobacterium leprae conserved hypothetical protein 0.0025 0.0299 0.0282
Mycobacterium ulcerans aldehyde dehydrogenase 0.0065 0.0947 0.0931
Echinococcus multilocularis Smad4 0.0009 0.0035 0.0024
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0065 0.0947 0.125
Loa Loa (eye worm) histone methyltransferase 0.001 0.0056 0.0079
Onchocerca volvulus 0.0153 0.2364 0.6242
Schistosoma mansoni hypothetical protein 0.0415 0.6581 1
Brugia malayi Inositol-1 0.0078 0.1144 0.2301
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative 0.0008 0.0024 0.0018
Loa Loa (eye worm) hypothetical protein 0.004 0.0536 0.106
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0025 0.0299 1
Entamoeba histolytica hypothetical protein 0.0025 0.0299 0.2498
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0057 0.0803 0.6978
Brugia malayi beta-lactamase family protein 0.004 0.0536 0.106
Brugia malayi Pre-SET motif family protein 0.0212 0.3306 0.6716
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0219 0.1793
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0052 0.0725 0.1445
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0026 0.0317 0.0317
Schistosoma mansoni alpha-glucosidase 0.0142 0.2186 0.3304
Schistosoma mansoni aldehyde dehydrogenase 0.0065 0.0947 0.1416
Schistosoma mansoni serine/threonine protein kinase 0.0057 0.0803 0.1198
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0536 0.0791
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.002 0.0209 0.675
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative 0.0008 0.0024 0.006
Loa Loa (eye worm) latrophilin receptor protein 2 0.0052 0.0725 0.1445
Echinococcus multilocularis chaperonin containing TCP1, subunit 2 (beta) 0.0025 0.0289 0.0365
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0014 0.0113 0.0255
Echinococcus granulosus cpg binding protein 0.0031 0.0389 0.05
Loa Loa (eye worm) hypothetical protein 0.0052 0.0725 0.1445
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0026 0.0317 0.03
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0391 0.057
Trichomonas vaginalis maltase-glucoamylase, putative 0.0014 0.0113 0.0255
Trypanosoma brucei hypothetical protein, conserved 0.004 0.0536 0.4607
Brugia malayi T-complex protein 1, beta subunit 0.0025 0.0289 0.0554
Trichomonas vaginalis inositol monophosphatase, putative 0.0008 0.0024 0.0018
Loa Loa (eye worm) Smad1 0.0009 0.0035 0.0037
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0026 0.0317 0.03
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0063 0.0907 0.1355
Trypanosoma brucei glucosidase, putative 0.0037 0.0484 0.4142
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0219 0.7178
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0037 0.0484 0.4142
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0484 0.1242
Loa Loa (eye worm) hypothetical protein 0.004 0.0536 0.106
Onchocerca volvulus 0.0026 0.0317 0.0796
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0008 0.0017 0.0017
Loa Loa (eye worm) hypothetical protein 0.0026 0.0317 0.0611
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0219 0.0537
Loa Loa (eye worm) hypothetical protein 0.003 0.0375 0.073
Loa Loa (eye worm) hypothetical protein 0.0014 0.0113 0.0196
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0317 0.2656
Loa Loa (eye worm) hypothetical protein 0.002 0.0209 0.0392
Loa Loa (eye worm) hypothetical protein 0.0312 0.4914 1
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0536 0.4607
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0163 0.2523 0.5116
Loa Loa (eye worm) hypothetical protein 0.0008 0.0024 0.0014
Mycobacterium leprae conserved hypothetical protein 0.004 0.0536 0.052
Loa Loa (eye worm) hypothetical protein 0.004 0.0536 0.106
Echinococcus granulosus 3'2'5' bisphosphate nucleotidase 1 0.0008 0.0024 0.0009
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0026 0.0317 0.03
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0391 0.3319
Entamoeba histolytica T-complex protein 1 beta subunit, putative 0.0025 0.0289 0.2409
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.0536 0.1381
Schistosoma mansoni pap-inositol-14-phosphatase 0.0008 0.0024 0.001
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0025 0.0299 0.2498
Onchocerca volvulus Uncharacterized family 31 glucosidase KIAA1161 homolog 0.0014 0.0113 0.0255
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0484 0.1242
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0014 0.0113 0.085
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0065 0.0947 0.125
Mycobacterium tuberculosis Probable isocitrate lyase AceAb [second part] (isocitrase) (isocitratase) (Icl) 0.0627 1 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0192 0.0192
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0057 0.0803 0.6978
Schistosoma mansoni cpg binding protein 0.0031 0.0389 0.0567
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0014 0.0113 0.085
Loa Loa (eye worm) hypothetical protein 0.004 0.0536 0.106
Mycobacterium ulcerans esterase/lipase LipP 0.004 0.0536 0.052
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0008 0.0028 0.0014
Onchocerca volvulus Inositol monophosphatase 3 homolog 0.0008 0.0024 0.0018
Plasmodium falciparum acyl-CoA synthetase 0.002 0.0209 0.6827
Mycobacterium tuberculosis Conserved protein 0.004 0.0536 0.0536
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0037 0.0484 0.4142
Echinococcus granulosus neutral alpha glucosidase AB 0.0037 0.0484 0.0628
Mycobacterium ulcerans monophosphatase 0.0008 0.0024 0.0007
Brugia malayi Glycosyl hydrolases family 31 protein 0.0165 0.2557 0.5186
Schistosoma mansoni smad1 5 8 and 0.0009 0.0035 0.0028
Mycobacterium ulcerans monophosphatase CysQ 0.0008 0.0024 0.0007
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0484 0.4142
Schistosoma mansoni smad1 5 8 and 0.0009 0.0035 0.0028
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0008 0.0028 0.0014
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0192 0.0192
Schistosoma mansoni myo inositol monophosphatase 0.0008 0.0024 0.001
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0078 0.1144 0.2997
Mycobacterium tuberculosis Probable hydrolase 0.004 0.0536 0.0536
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0057 0.0803 0.6978
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0078 0.1144 1
Brugia malayi hypothetical protein 0.0153 0.2364 0.4791
Toxoplasma gondii hypothetical protein 0.0008 0.0024 0.006
Trichomonas vaginalis alpha-glucosidase, putative 0.0014 0.0113 0.0255
Brugia malayi Latrophilin receptor protein 2 0.0052 0.0725 0.1445
Echinococcus granulosus mothers against decapentaplegic 5 0.0009 0.0035 0.0024
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0078 0.1144 1
Onchocerca volvulus 0.004 0.0536 0.1381
Brugia malayi T-complex protein 1, beta subunit 0.0025 0.0289 0.0554
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative 0.0008 0.0024 0.006
Echinococcus multilocularis dnaJ subfamily B 0.0415 0.6581 0.8826
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.004 0.0536 0.0536
Brugia malayi MH2 domain containing protein 0.0009 0.0035 0.0037
Trichomonas vaginalis alpha-glucosidase, putative 0.0014 0.0113 0.0255
Mycobacterium ulcerans hypothetical protein 0.004 0.0536 0.052
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0008 0.0017 0.0017
Brugia malayi MH1 domain containing protein 0.0009 0.0035 0.0037
Echinococcus multilocularis neuropeptide receptor A26 0.0469 0.7454 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0362 0.0705
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0.0219 0.1793
Mycobacterium tuberculosis Probable isocitrate lyase AceAa [first part] (isocitrase) (isocitratase) (Icl) 0.0627 1 1
Schistosoma mansoni cpg binding protein 0.0029 0.0362 0.0526
Toxoplasma gondii t-complex protein beta subunit 0.0025 0.0289 0.2409
Brugia malayi Smad1 0.0009 0.0035 0.0037
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0056 0.0052
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0536 0.0791
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0484 0.1242
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.0054 0.0076
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0219 0.1793
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0008 0.0017 0.0017
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0219 0.0219
Loa Loa (eye worm) MH2 domain-containing protein 0.013 0.1985 0.4018
Loa Loa (eye worm) MH2 domain-containing protein 0.0009 0.0035 0.0037
Loa Loa (eye worm) hypothetical protein 0.002 0.0209 0.0392
Echinococcus multilocularis mothers against decapentaplegic 5 0.0009 0.0035 0.0024
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0078 0.1144 0.1129
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0008 0.0017 0.0017
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0317 0.2656
Schistosoma mansoni ap endonuclease 0.002 0.0219 0.0308
Trypanosoma brucei protein kinase, putative 0.0057 0.0803 0.6978
Mycobacterium leprae Isocitrate lyase 0.0294 0.4631 0.4621
Trichomonas vaginalis set domain proteins, putative 0.0241 0.3776 1
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0025 0.0289 0.0414
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0052 0.0725 0.0952
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0052 0.0725 0.0952
Schistosoma mansoni intermediate filament proteins 0.003 0.0375 0.0545
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0078 0.1144 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0037 0.0484 0.1242
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0536 0.1381
Echinococcus granulosus lysosomal alpha glucosidase 0.0165 0.2557 0.3415
Echinococcus multilocularis lamin dm0 0.003 0.0375 0.0481
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0317 0.2656
Trypanosoma brucei T-complex protein 1, beta subunit, putative 0.0025 0.0289 0.2409
Echinococcus multilocularis lysosomal alpha glucosidase 0.0165 0.2557 0.3415
Schistosoma mansoni aldehyde dehydrogenase 0.0065 0.0947 0.1416
Plasmodium vivax T-complex protein 1 subunit beta, putative 0.0025 0.0289 0.5229
Loa Loa (eye worm) hypothetical protein 0.002 0.0209 0.0392
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0165 0.2557 0.5186
Echinococcus granulosus inositol monophosphatase 1 0.0078 0.1144 0.1515
Schistosoma mansoni hypothetical protein 0.0008 0.0024 0.001
Trichomonas vaginalis esterase, putative 0.004 0.0536 0.1381
Mycobacterium ulcerans beta-lactamase 0.004 0.0536 0.052
Toxoplasma gondii aldehyde dehydrogenase 0.0065 0.0947 0.825
Loa Loa (eye worm) hypothetical protein 0.0026 0.0317 0.0611
Onchocerca volvulus 0.003 0.0375 0.0951
Toxoplasma gondii ABC1 family protein 0.004 0.0536 0.4607
Echinococcus multilocularis muscleblind protein 0.0312 0.4914 0.6585
Trypanosoma brucei hypothetical protein, conserved 0.0025 0.0299 0.2498
Brugia malayi Pre-SET motif family protein 0.0031 0.0391 0.0764
Echinococcus granulosus lamin dm0 0.003 0.0375 0.0481
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0078 0.1144 0.2997
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0014 0.0113 0.0255
Echinococcus granulosus smad 0.0009 0.0035 0.0024
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0025 0.0299 0.0299
Brugia malayi CXXC zinc finger family protein 0.0029 0.0362 0.0705
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.004 0.0536 0.0536
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0057 0.0803 0.6978
Loa Loa (eye worm) hypothetical protein 0.004 0.0536 0.106
Mycobacterium leprae Probable monophosphatase 0.0008 0.0024 0.0007
Echinococcus granulosus intermediate filament protein 0.003 0.0375 0.0481
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0008 0.0017 0.0017
Leishmania major hypothetical protein, conserved 0.004 0.0536 0.4607
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.0536 0.1381
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0163 0.2523 0.5116
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0025 0.0299 0.2498
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0192 0.0192
Onchocerca volvulus 0.0096 0.1434 0.3768
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0008 0.0017 0.0017
Schistosoma mansoni inositol monophosphatase 0.0078 0.1144 0.1717
Trichomonas vaginalis chaperonin-60kD, ch60, putative 0.0025 0.0289 0.0722
Plasmodium vivax hypothetical protein, conserved 0.004 0.0536 1
Loa Loa (eye worm) hypothetical protein 0.009 0.1336 0.2693
Mycobacterium ulcerans monophosphatase CysQ 0.0008 0.0024 0.0007

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 12.6 uM Inhibition of Mycobacterium tuberculosis isocitrate lyase ChEMBL. 21840711
MIC (functional) = 29.03 uM Antimycobacterial activity against 6-weeks nutrient starved phase cultures of Mycobacterium tuberculosis H37Rv treated for 7 days measured after 4 weeks by agar dilution method ChEMBL. 21840711
MIC (functional) = 58.07 uM Antimycobacterial activity against active log phase Mycobacterium tuberculosis H37Rv by agar dilution method ChEMBL. 21840711

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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