Detailed information for compound 1157307

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 583.6 | Formula: C23H21N9O6S2
  • H donors: 5 H acceptors: 7 LogP: -0.06 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: CO/N=C(\c1csc(n1)N)/C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])C[n+]1cccc(c1)c1n[nH]c(c1)C(=O)N
  • InChi: 1S/C23H21N9O6S2/c1-38-30-15(14-9-40-23(25)26-14)19(34)27-16-20(35)32-17(22(36)37)11(8-39-21(16)32)7-31-4-2-3-10(6-31)12-5-13(18(24)33)29-28-12/h2-6,9,16,21H,7-8H2,1H3,(H6-,24,25,26,27,28,29,33,34,36,37)/b30-15+/t16-,21-/m1/s1
  • InChiKey: MNQIPUXIZCMWPL-XUBXPIFFSA-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
Trypanosoma brucei phosphomannose isomerase 0.0204 0.2062 0.2704
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0162 0.0444
Mycobacterium ulcerans diphosphomevalonate decarboxylase 0.0714 0.7569 1
Entamoeba histolytica phosphofructokinase, putative 0.0105 0.0997 0.2765
Echinococcus multilocularis 6 phosphofructokinase 0.0105 0.0997 0.0986
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0028 0.0168 0.0114
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0081 0.0736 0.0926
Onchocerca volvulus Alhambra homolog 0.0028 0.0166 0.0076
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.0058 0.0031
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0017 0.0039 0.0027
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.0848 0.1023
Loa Loa (eye worm) PHD-finger family protein 0.0028 0.0166 0.021
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.0083 0.0072
Schistosoma mansoni nardilysin (M16 family) 0.0023 0.0111 0.0147
Loa Loa (eye worm) hypothetical protein 0.0037 0.0262 0.0369
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0105 0.0997 0.2574
Loa Loa (eye worm) norepinephrine transporter 0.0081 0.0736 0.1156
Brugia malayi Bromodomain containing protein 0.0041 0.0298 0.032
Schistosoma mansoni hypothetical protein 0.0196 0.1979 0.2615
Trypanosoma brucei hypothetical protein, conserved 0.0206 0.2085 0.2735
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0081 0.0736 0.2144
Echinococcus granulosus snurportin 1 0.0298 0.3079 0.4037
Mycobacterium ulcerans galactokinase 0.0327 0.339 0.4445
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0024 0.0117 0.0127
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0024 0.0117 0.0094
Schistosoma mansoni jumonji domain containing protein 0.0073 0.0654 0.0864
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0081 0.0736 0.1156
Trypanosoma cruzi peptidase, putative 0.0023 0.0111 0.012
Echinococcus granulosus 3'partial|nardilysin 0.0023 0.0111 0.0096
Plasmodium falciparum phosphomannomutase, putative 0.0048 0.0383 0.1674
Trichomonas vaginalis CAMK family protein kinase 0.0045 0.035 0.0357
Onchocerca volvulus 0.0714 0.7569 1
Trichomonas vaginalis galactokinase, putative 0.0327 0.339 0.4418
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.0096 0.0076
Trichomonas vaginalis conserved hypothetical protein 0.0138 0.1357 0.1702
Trypanosoma cruzi hypothetical protein, conserved 0.0206 0.2085 0.2735
Loa Loa (eye worm) hypothetical protein 0.0039 0.0287 0.0411
Schistosoma mansoni ran 0.0021 0.0083 0.0109
Trypanosoma brucei mevalonate kinase, putative 0.0327 0.339 0.4463
Trypanosoma brucei homoserine kinase 0.0327 0.339 0.4463
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.0848 0.1023
Toxoplasma gondii insulysin, putative 0.0022 0.0099 0.0256
Loa Loa (eye worm) hypothetical protein 0.0138 0.1357 0.2184
Toxoplasma gondii hypothetical protein 0.0081 0.0736 0.2144
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0105 0.0112
Trichomonas vaginalis galactokinase, putative 0.0188 0.1894 0.2419
Mycobacterium leprae probable mannose-6-phosphate isomerase ManA (PHOSPHOMANNOSE ISOMERASE) (PHOSPHOMANNOISOMERASE) (PMI) (PHOSPHOHEXOISOMERASE) (PHO 0.011 0.1054 0.2882
Toxoplasma gondii phosphofructokinase PFKII 0.0028 0.0168 0.046
Plasmodium vivax hypothetical protein, conserved 0.0081 0.0736 0.3425
Trypanosoma cruzi galactokinase-like protein, putative 0.0188 0.1894 0.2481
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0143 0.1401 0.139
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0058 0.0484 0.0738
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0096 0.0127
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0044 0.0331 0.1415
Schistosoma mansoni zinc finger protein 0.0022 0.0103 0.0135
Trichomonas vaginalis mannose-6-phosphate isomerase, putative 0.0204 0.2062 0.2644
Mycobacterium ulcerans hypothetical protein 0.0024 0.0117 0.0094
Echinococcus multilocularis Mevalonate galactokinase 0.0327 0.339 0.3382
Schistosoma mansoni insulysin unit 3 (M16 family) 0.0023 0.0111 0.0147
Echinococcus multilocularis snurportin 1 0.0298 0.3079 0.3071
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0109 0.0083
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0091 0.0848 0.0837
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0105 0.0997 0.1294
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0081 0.0736 0.0926
Echinococcus multilocularis sodium and chloride dependent glycine 0.0081 0.0736 0.0725
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0535 0.5644 0.7457
Mycobacterium ulcerans hypothetical protein 0.0024 0.0117 0.0094
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0028 0.0168 0.0929
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0025 0.0133 0.0149
Toxoplasma gondii phosphomannose isomerase type I protein 0.0204 0.2062 0.6069
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0039 0.0052
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0024 0.0117 0.0094
Loa Loa (eye worm) hypothetical protein 0.0017 0.0046 0.0011
Echinococcus granulosus citrate lyase subunit beta protein 0.0024 0.0117 0.0103
Toxoplasma gondii sporozoite developmental protein 0.0023 0.0111 0.0293
Echinococcus multilocularis zinc finger protein 0.0022 0.0103 0.009
Schistosoma mansoni ran 0.0021 0.0083 0.0109
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0081 0.0736 0.0903
Echinococcus granulosus diphosphomevalonate decarboxylase 0.0714 0.7569 1
Echinococcus granulosus Mevalonate galactokinase 0.0327 0.339 0.445
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0081 0.0736 0.0926
Entamoeba histolytica phosphomannose isomerase, putative 0.0204 0.2062 0.5985
Echinococcus granulosus GPCR family 2 0.0018 0.0058 0.0025
Loa Loa (eye worm) hypothetical protein 0.0535 0.5644 0.9289
Brugia malayi jmjC domain containing protein 0.0036 0.025 0.0255
Onchocerca volvulus Huntingtin homolog 0.0142 0.1393 0.1721
Trypanosoma cruzi Putative Phosphatase/Protein of unknown function DUF89, putative 0.0175 0.175 0.2291
Loa Loa (eye worm) hypothetical protein 0.0081 0.0736 0.1156
Trypanosoma cruzi mevalonate-diphosphate decarboxylase, putative 0.0714 0.7569 1
Chlamydia trachomatis 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase 0.0138 0.1357 1
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.0109 0.0079
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0039 0.0052
Trichomonas vaginalis galactokinase, putative 0.0327 0.339 0.4418
Brugia malayi glutaminase DH11.1 0.0265 0.2719 0.3543
Echinococcus multilocularis PHD finger protein rhinoceros 0.0028 0.0166 0.0153
Loa Loa (eye worm) hypothetical protein 0.0023 0.0109 0.0115
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.0236 0.0262
Echinococcus multilocularis peregrin 0.0034 0.0227 0.0215
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0028 0.0168 0.0257
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0109 0.0083
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0025 0.0133 0.0149
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0081 0.0736 0.0973
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0109 0.0067
Toxoplasma gondii GHMP kinase, putative 0.0327 0.339 1
Echinococcus granulosus insulin degrading enzyme 0.0023 0.0111 0.0096
Loa Loa (eye worm) phosphomannomutase 2 0.0048 0.0383 0.0571
Trichomonas vaginalis CAMK family protein kinase 0.0045 0.035 0.0357
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0105 0.0997 0.1294
Plasmodium vivax 6-phosphofructokinase, putative 0.0028 0.0168 0.0604
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0081 0.0736 0.0903
Loa Loa (eye worm) insulin-degrading enzyme 0.0023 0.0111 0.012
Brugia malayi hypothetical protein 0.0081 0.0736 0.0903
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0162 0.015
Loa Loa (eye worm) hypothetical protein 0.0028 0.0166 0.021
Plasmodium vivax flap endonuclease 1, putative 0.0025 0.0133 0.0432
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0081 0.0736 0.0973
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0109 0.0217
Onchocerca volvulus 0.0081 0.0736 0.0842
Brugia malayi acetyltransferase, GNAT family protein 0.0143 0.1401 0.1788
Loa Loa (eye worm) 6-phosphofructokinase 0.0105 0.0997 0.1588
Trichomonas vaginalis mevalonate kinase, putative 0.0138 0.1357 0.1702
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0081 0.0736 0.2144
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0109 0.0217
Trypanosoma cruzi phosphomevalonate kinase protein, putative 0.0138 0.1357 0.177
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0021 0.0083 0.0182
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.0039 0.0052
Loa Loa (eye worm) hypothetical protein 0.0081 0.0736 0.1156
Echinococcus granulosus galactokinase 0.0327 0.339 0.445
Trichomonas vaginalis phosphofructokinase, putative 0.0028 0.0168 0.0114
Loa Loa (eye worm) glutaminase 0.0265 0.2719 0.4441
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0028 0.0168 0.0604
Brugia malayi mannose-6-phosphate isomerase, class I family protein 0.0204 0.2062 0.2668
Treponema pallidum galactokinase 0.0188 0.1894 0.5357
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0081 0.0736 0.5268
Giardia lamblia Histone acetyltransferase GCN5 0.0038 0.0269 0.0249
Echinococcus multilocularis lysine specific demethylase 5A 0.0034 0.023 0.0218
Trichomonas vaginalis phosphofructokinase, putative 0.0028 0.0168 0.0114
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.0039 0.0052
Brugia malayi Flap endonuclease-1 0.0025 0.0133 0.01
Wolbachia endosymbiont of Brugia malayi 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase 0.0327 0.339 0.5
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0081 0.0736 0.0973
Onchocerca volvulus Huntingtin homolog 0.0142 0.1393 0.1721
Plasmodium vivax importin-beta 2, putative 0.0028 0.0162 0.0577
Chlamydia trachomatis insulinase family protease III 0.0023 0.0111 0.0498
Echinococcus multilocularis nardilysin 0.0023 0.0111 0.0099
Brugia malayi hypothetical protein 0.0146 0.1441 0.1841
Loa Loa (eye worm) transcription factor SMAD2 0.0138 0.1353 0.2178
Echinococcus granulosus PHD finger protein rhinoceros 0.0028 0.0166 0.0168
Loa Loa (eye worm) hypothetical protein 0.0081 0.0736 0.1156
Plasmodium falciparum flap endonuclease 1 0.0025 0.0133 0.0432
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0024 0.0117 0.0127
Mycobacterium ulcerans homoserine kinase 0.0327 0.339 0.4445
Schistosoma mansoni sodium/chloride dependent transporter 0.0081 0.0736 0.0973
Loa Loa (eye worm) hypothetical protein 0.0028 0.0162 0.0204
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0105 0.0997 0.2708
Giardia lamblia Mevalonate kinase 0.0327 0.339 0.4418
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0091 0.0848 0.1075
Trichomonas vaginalis phosphofructokinase, putative 0.0028 0.0168 0.0114
Trypanosoma brucei phosphomannomutase 0.0048 0.0383 0.0481
Loa Loa (eye worm) hypothetical protein 0.0058 0.0484 0.0738
Schistosoma mansoni hypothetical protein 0.0028 0.0166 0.0219
Brugia malayi jmjC domain containing protein 0.0092 0.0859 0.1067
Loa Loa (eye worm) hypothetical protein 0.0017 0.0046 0.0011
Trypanosoma cruzi phosphomannomutase, putative 0.0048 0.0383 0.0481
Brugia malayi phosphomannomutase 2 0.0048 0.0383 0.0433
Plasmodium falciparum amino acid transporter, putative 0.0081 0.0736 0.3425
Trichomonas vaginalis flap endonuclease-1, putative 0.0025 0.0133 0.0067
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0081 0.0736 0.0973
Loa Loa (eye worm) hypothetical protein 0.0327 0.339 0.5553
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0081 0.0736 0.0903
Trypanosoma cruzi galactokinase, putative 0.0327 0.339 0.4463
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0021 0.0083 0.0082
Trypanosoma cruzi fucose kinase, putative 0.0188 0.1894 0.2481
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0081 0.0736 0.0725
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0028 0.0168 0.0114
Giardia lamblia Flap structure-specific endonuclease 0.0025 0.0133 0.0067
Echinococcus granulosus flap endonuclease 1 0.0025 0.0133 0.0125
Mycobacterium ulcerans 6-phosphofructokinase 0.0105 0.0997 0.1264
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0162 0.0187
Loa Loa (eye worm) hypothetical protein 0.0023 0.0109 0.0115
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0025 0.0133 0.0149
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0061 0.0522 0.051
Plasmodium vivax mannose-6-phosphate isomerase, putative 0.0204 0.2062 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0081 0.0736 0.0903
Echinococcus granulosus N acetylgalactosamine kinase 0.0327 0.339 0.445
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0109 0.0083
Mycobacterium leprae Probable 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase IspE (CMK) (4-(cytidine-5'-diphospho)-2-C-methyl-D-erythritol kinase) 0.0327 0.339 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0044 0.0331 0.0944
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0535 0.5644 0.5639
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0044 0.0331 0.0332
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.0848 0.1023
Trypanosoma cruzi fucose kinase, putative 0.0188 0.1894 0.2481
Echinococcus multilocularis citrate lyase subunit beta protein 0.0024 0.0117 0.0105
Echinococcus granulosus zinc finger protein 0.0022 0.0103 0.0084
Trypanosoma brucei phosphomevalonate kinase protein, putative 0.0327 0.339 0.4463
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0105 0.0997 0.2866
Brugia malayi RNA, U transporter 1 0.0079 0.0718 0.0879
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.0236 0.0224
Trichomonas vaginalis glutaminase, putative 0.0265 0.2719 0.3521
Trypanosoma brucei mevalonate-diphosphate decarboxylase 0.0714 0.7569 1
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0535 0.5644 0.7457
Trichomonas vaginalis phosphofructokinase, putative 0.0105 0.0997 0.1222
Treponema pallidum sodium- and chloride- dependent transporter 0.0081 0.0736 0.1765
Brugia malayi galactokinase family protein 0.0327 0.339 0.4436
Schistosoma mansoni diphosphomevalonate decarboxylase 0.0714 0.7569 1
Echinococcus granulosus sodium and chloride dependent glycine 0.0081 0.0736 0.0926
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0028 0.0168 0.0929
Loa Loa (eye worm) flap endonuclease-1 0.0025 0.0133 0.0156
Trypanosoma cruzi peptidase, putative 0.0023 0.0111 0.012
Plasmodium vivax amine transporter, putative 0.0081 0.0736 0.3425
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0083 0.0082
Echinococcus granulosus phosphomannomutase 0.0048 0.0383 0.0457
Trypanosoma cruzi homoserine kinase 0.0327 0.339 0.4463
Loa Loa (eye worm) hypothetical protein 0.0018 0.0058 0.0031
Mycobacterium tuberculosis Probable homoserine kinase ThrB 0.0138 0.1357 0.3939
Entamoeba histolytica phosphofructokinase, putative 0.0105 0.0997 0.2765
Toxoplasma gondii 6-phosphofructokinase 0.0028 0.0168 0.046
Mycobacterium ulcerans citrate lyase beta subunit, CitE_2 0.0024 0.0117 0.0094
Trypanosoma brucei galactokinase-like protein, putative 0.0138 0.1357 0.177
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0109 0.0116
Echinococcus multilocularis N acetylgalactosamine kinase 0.0327 0.339 0.3382
Echinococcus multilocularis jumonji domain containing protein 0.0039 0.0285 0.0273
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0109 0.0079
Loa Loa (eye worm) hypothetical protein 0.0017 0.0046 0.0011
Trichomonas vaginalis phosphofructokinase, putative 0.0028 0.0168 0.0114
Echinococcus multilocularis galactokinase 0.0327 0.339 0.3382
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0021 0.0083 0.0208
Schistosoma mansoni phosphomannomutase 0.0048 0.0383 0.0507
Trichomonas vaginalis phosphomannomutase, putative 0.0048 0.0383 0.0402
Echinococcus granulosus mannose 6 phosphate isomerase 0.0204 0.2062 0.2687
Schistosoma mansoni hypothetical protein 0.0196 0.1979 0.2615
Leishmania major phosphomannomutase, putative 0.0048 0.0383 0.0481
Mycobacterium ulcerans mevalonate kinase, Erg12 0.0327 0.339 0.4445
Mycobacterium ulcerans hypothetical protein 0.0023 0.0109 0.0083
Schistosoma mansoni hypothetical protein 0.0298 0.3079 0.4068
Echinococcus granulosus nardilysin 0.0023 0.0111 0.0096
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0105 0.003
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0081 0.0736 0.0725
Brugia malayi diphosphomevalonate decarboxylase family protein 0.0714 0.7569 1
Schistosoma mansoni sodium-dependent amino acid transporter 0.0081 0.0736 0.0973
Plasmodium falciparum importin beta, putative 0.0028 0.0162 0.0577
Leishmania major importin beta-1 subunit, putative 0.0023 0.0105 0.0112
Schistosoma mansoni mannose-6-phosphate isomerase 0.0204 0.2062 0.2724
Brugia malayi mevalonate kinase family protein 0.0327 0.339 0.4436
Brugia malayi 6-phosphofructokinase 0.0105 0.0997 0.125
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0061 0.0522 0.0641
Mycobacterium tuberculosis Conserved protein 0.0024 0.0117 0.0242
Echinococcus granulosus lysine specific demethylase 5A 0.0036 0.025 0.028
Leishmania major phosphomannose isomerase 0.0204 0.2062 0.2704
Mycobacterium ulcerans phosphomevalonate kinase 0.0327 0.339 0.4445
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0081 0.0736 0.0973
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0109 0.0079
Brugia malayi phosphofructokinase 0.0105 0.0997 0.125
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0105 0.003
Giardia lamblia PHD finger protein 15 0.0028 0.0166 0.0111
Trypanosoma cruzi galactokinase, putative 0.0188 0.1894 0.2481
Mycobacterium ulcerans mannose-6-phosphate isomerase ManA 0.0204 0.2062 0.268
Leishmania major GTP-binding protein, putative 0.0021 0.0083 0.0082
Loa Loa (eye worm) solute carrier family 6 member 4 0.0081 0.0736 0.1156
Loa Loa (eye worm) jmjC domain-containing protein 0.0058 0.049 0.0748
Trypanosoma brucei polo-like protein kinase 0.0091 0.0848 0.1096
Schistosoma mansoni nardilysin (M16 family) 0.0023 0.0111 0.0147
Entamoeba histolytica phosphofructokinase, putative 0.0105 0.0997 0.2765
Trypanosoma cruzi hypothetical protein, conserved 0.0206 0.2085 0.2735
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0109 0.0083
Loa Loa (eye worm) phosphofructokinase 0.0105 0.0997 0.1588
Loa Loa (eye worm) hypothetical protein 0.0043 0.0324 0.0472
Toxoplasma gondii phosphomannomutase 0.0048 0.0383 0.1099
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.0166 0.0454
Loa Loa (eye worm) galactokinase 0.0327 0.339 0.5553
Schistosoma mansoni hypothetical protein 0.0015 0.0021 0.0027
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0018 0.0058 0.0025
Trypanosoma cruzi polo-like protein kinase, putative 0.0091 0.0848 0.1096
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0109 0.0083
Echinococcus granulosus 6 phosphofructokinase 0.0105 0.0997 0.1272
Loa Loa (eye worm) hypothetical protein 0.0081 0.0736 0.1156
Trypanosoma brucei peptidase, putative 0.0023 0.0111 0.012
Echinococcus granulosus geminin 0.0196 0.1979 0.2577
Loa Loa (eye worm) hypothetical protein 0.0017 0.0046 0.0011
Loa Loa (eye worm) hypothetical protein 0.0575 0.6073 1
Giardia lamblia Kinase, PLK 0.0091 0.0848 0.1023
Echinococcus granulosus histone acetyltransferase KAT2B 0.0136 0.1334 0.1719
Brugia malayi insulin-degrading enzyme 0.0023 0.0111 0.0071
Loa Loa (eye worm) hypothetical protein 0.0081 0.0736 0.1156
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0092 0.0859 0.1089
Schistosoma mansoni flap endonuclease-1 0.0023 0.0107 0.0141
Plasmodium falciparum mannose-6-phosphate isomerase, putative 0.0204 0.2062 1
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0083 0.0072
Echinococcus granulosus histone acetyltransferase KAT2B 0.0044 0.0331 0.0388
Loa Loa (eye worm) hypothetical protein 0.0048 0.0383 0.0571
Leishmania major galactokinase-like protein 0.0327 0.339 0.4463
Loa Loa (eye worm) hypothetical protein 0.0535 0.5644 0.9289
Trichomonas vaginalis diphosphomevalonate decarboxylase, putative 0.0714 0.7569 1
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0083 0.0082
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0109 0.0116
Trichomonas vaginalis phosphofructokinase, putative 0.0028 0.0168 0.0114
Loa Loa (eye worm) serotonin transporter b 0.0081 0.0736 0.1156
Trypanosoma cruzi homoserine kinase 0.0327 0.339 0.4463
Schistosoma mansoni 6-phosphofructokinase 0.0105 0.0997 0.1317
Schistosoma mansoni 6-phosphofructokinase 0.0105 0.0997 0.1317
Schistosoma mansoni hypothetical protein 0.0039 0.0287 0.0379
Loa Loa (eye worm) mannose-6-phosphate isomerase 0.0204 0.2062 0.3353
Brugia malayi PHD-finger family protein 0.0028 0.0158 0.0134
Schistosoma mansoni bromodomain containing protein 0.0065 0.0559 0.0739
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0109 0.0083
Leishmania major ATP-dependent phosphofructokinase 0.0105 0.0997 0.1294
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0109 0.0116
Leishmania major homoserine kinase, putative 0.0327 0.339 0.4463
Schistosoma mansoni sodium/chloride dependent transporter 0.0081 0.074 0.0977
Schistosoma mansoni insulysin unit 3 (M16 family) 0.0023 0.0111 0.0147
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.0848 0.1023
Loa Loa (eye worm) glutaminase 2 0.0265 0.2719 0.4441
Trypanosoma cruzi mevalonate-diphosphate decarboxylase, putative 0.0714 0.7569 1
Trichomonas vaginalis phosphofructokinase, putative 0.0028 0.0168 0.0114
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0092 0.0859 0.0848
Loa Loa (eye worm) hypothetical protein 0.0045 0.0344 0.0505
Schistosoma mansoni mevalonate kinase 0.0327 0.339 0.4479
Entamoeba histolytica Flap nuclease, putative 0.0025 0.0133 0.0152
Treponema pallidum hypothetical protein 0.0327 0.339 1
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0081 0.0736 0.1156
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0025 0.0133 0.0357
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0028 0.0166 0.0219
Echinococcus multilocularis phosphomannomutase 0.0048 0.0383 0.0372
Brugia malayi hypothetical protein 0.0142 0.1393 0.1777
Mycobacterium ulcerans 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase 0.0327 0.339 0.4445
Onchocerca volvulus 0.0081 0.0736 0.0842
Loa Loa (eye worm) hypothetical protein 0.0017 0.0046 0.0011
Onchocerca volvulus 0.0146 0.1441 0.1785
Brugia malayi Calcitonin receptor-like protein seb-1 0.0058 0.0484 0.0567
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0076 0.0062
Schistosoma mansoni hypothetical protein 0.0018 0.0058 0.0077
Schistosoma mansoni hypothetical protein 0.002 0.0076 0.0101
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0091 0.0848 0.1341
Echinococcus granulosus peregrin 0.0034 0.0227 0.025
Mycobacterium leprae PROBABLE HOMOSERINE KINASE THRB 0.0138 0.1357 0.3804
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.025 0.033
Mycobacterium tuberculosis Probable galactokinase GalK (galactose kinase) 0.0327 0.339 1
Mycobacterium tuberculosis Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase) 0.0024 0.0117 0.0242
Echinococcus multilocularis nardilysin 0.0023 0.0111 0.0099
Schistosoma mansoni glutaminase 0.0265 0.2719 0.3592
Echinococcus granulosus importin subunit beta 1 0.0028 0.0162 0.0164
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0081 0.0736 0.2144
Onchocerca volvulus Putative phosphomannomutase 0.0048 0.0383 0.0368
Echinococcus multilocularis GPCR, family 2 0.0018 0.0058 0.0046
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.0848 0.1023
Entamoeba histolytica galactokinase, putative 0.0327 0.339 1
Entamoeba histolytica serine/threonine protein kinase, putative 0.0091 0.0848 0.2315
Leishmania major phosphoglycan beta 1,3 galactosyltransferase 5 0.0023 0.0111 0.012
Entamoeba histolytica phosphomannomutase, putative 0.0048 0.0383 0.091
Loa Loa (eye worm) acetyltransferase 0.0143 0.1401 0.2257
Toxoplasma gondii GHMP kinase, N-terminal domain-containing protein 0.0327 0.339 1
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.0039 0.0027
Brugia malayi serine/threonine-protein kinase plk-2 0.0091 0.0848 0.1052
Leishmania major hypothetical protein, conserved 0.0175 0.175 0.2291
Plasmodium falciparum phd finger protein, putative 0.0028 0.0166 0.0593
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.0848 0.1023
Trichomonas vaginalis galactokinase, putative 0.0138 0.1357 0.1702
Entamoeba histolytica acetyltransferase, GNAT family 0.0038 0.0269 0.0564
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0046 0.003
Mycobacterium tuberculosis Probable mannose-6-phosphate isomerase ManA (phosphomannose isomerase) (phosphomannoisomerase) (PMI) (phosphohexoisomerase) (pho 0.011 0.1054 0.3036
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.025 0.033
Loa Loa (eye worm) hypothetical protein 0.0068 0.06 0.093
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0018 0.0058 0.0046
Plasmodium vivax hypothetical protein, conserved 0.0028 0.0166 0.0593
Loa Loa (eye worm) hypothetical protein 0.0081 0.0736 0.1156
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0143 0.1401 0.1851
Leishmania major mevalonate-diphosphate decarboxylase, putative 0.0714 0.7569 1
Onchocerca volvulus 0.0081 0.0736 0.0842
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0058 0.0484 0.0567
Entamoeba histolytica hypothetical protein 0.0023 0.0105 0.0068
Leishmania major 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0024 0.0117 0.0127
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0535 0.5644 0.7457
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0028 0.0168 0.046
Brugia malayi Bromodomain containing protein 0.0076 0.0682 0.0831
Loa Loa (eye worm) hypothetical protein 0.0142 0.1393 0.2243
Trypanosoma cruzi Putative Phosphatase/Protein of unknown function DUF89, putative 0.0175 0.175 0.2291
Leishmania major fucose kinase, putative 0.0138 0.1357 0.177
Leishmania major phosphomevalonate kinase protein, putative 0.0327 0.339 0.4463
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0083 0.0058
Loa Loa (eye worm) hypothetical protein 0.0023 0.0109 0.0115
Echinococcus multilocularis insulin degrading enzyme 0.0023 0.0111 0.0099
Schistosoma mansoni hypothetical protein 0.0018 0.0058 0.0077
Schistosoma mansoni zinc finger protein 0.0015 0.0021 0.0027
Loa Loa (eye worm) jmjC domain-containing protein 0.0036 0.025 0.0349
Loa Loa (eye worm) hypothetical protein 0.0081 0.0736 0.1156
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0535 0.5644 0.7444
Schistosoma mansoni sodium/chloride dependent transporter 0.0081 0.0736 0.0973
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0081 0.0736 0.0903
Brugia malayi latrophilin 2 splice variant baaae 0.0039 0.0287 0.0305
Brugia malayi PHD-finger family protein 0.0028 0.0166 0.0143
Echinococcus multilocularis geminin 0.0196 0.1979 0.197
Loa Loa (eye worm) hypothetical protein 0.0146 0.1441 0.2323
Trypanosoma cruzi phosphomannose isomerase, putative 0.0204 0.2062 0.2704
Brugia malayi Importin beta-1 subunit 0.0028 0.0162 0.0139
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0083 0.007
Schistosoma mansoni hypothetical protein 0.0018 0.0058 0.0077
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0083 0.0033
Echinococcus granulosus jumonji domain containing protein 0.0039 0.0285 0.0327
Trichomonas vaginalis phosphofructokinase, putative 0.0105 0.0997 0.1222
Trichomonas vaginalis phosphofructokinase, putative 0.0105 0.0997 0.1222
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0018 0.0058 0.0046
Plasmodium vivax phosphomannomutase, putative 0.0048 0.0383 0.1674
Trichomonas vaginalis phosphofructokinase, putative 0.0105 0.0997 0.1222
Toxoplasma gondii hypothetical protein 0.0081 0.0736 0.2144
Trichomonas vaginalis galactokinase, putative 0.0327 0.339 0.4418
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.0096 0.0084
Toxoplasma gondii rhoptry metalloprotease toxolysin TLN1 0.0023 0.0111 0.0293
Loa Loa (eye worm) 6-phosphofructokinase 0.0105 0.0997 0.1588
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0081 0.0736 0.0973
Leishmania major hypothetical protein, conserved 0.0206 0.2085 0.2735
Trypanosoma cruzi mevalonate kinase, putative 0.0327 0.339 0.4463
Echinococcus multilocularis diphosphomevalonate decarboxylase 0.0714 0.7569 0.7566
Schistosoma mansoni hypothetical protein 0.0018 0.0058 0.0077
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0162 0.0187
Loa Loa (eye worm) diphosphomevalonate decarboxylase 0.0575 0.6073 1
Plasmodium falciparum transporter, putative 0.0081 0.0736 0.3425
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0028 0.0168 0.0604
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0109 0.0067
Mycobacterium ulcerans glutaminase 0.0265 0.2719 0.3553
Loa Loa (eye worm) hypothetical protein 0.0081 0.0736 0.1156
Giardia lamblia Diphosphomevalonate decarboxylase 0.0714 0.7569 1
Echinococcus granulosus sodium and chloride dependent glycine 0.0081 0.0736 0.0926
Brugia malayi 6-phosphofructokinase 0.0105 0.0997 0.125
Mycobacterium tuberculosis Possible D-alpha-D-heptose-7-phosphate kinase HddA 0.0327 0.339 1
Onchocerca volvulus 0.0081 0.0736 0.0842
Echinococcus granulosus serotonin transporter 0.0081 0.0736 0.0926
Plasmodium falciparum histone acetyltransferase GCN5 0.0038 0.0269 0.1108
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.0848 0.1023
Entamoeba histolytica mannose-6-phosphate isomerase, putative 0.0093 0.0869 0.2377
Onchocerca volvulus Serine\/threonine kinase homolog 0.0091 0.0848 0.0992
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0109 0.0067
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0018 0.0058 0.0025
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0109 0.0083
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0021 0.0083 0.0182
Trypanosoma cruzi phosphomannose isomerase, putative 0.0204 0.2062 0.2704
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0298 0.3079 0.5038
Schistosoma mansoni serine/threonine protein kinase 0.0091 0.0848 0.1121
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0091 0.0848 0.1096
Trichomonas vaginalis Citrate lyase beta chain, putative 0.0024 0.0117 0.0046
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.0166 0.0454
Trypanosoma brucei mevalonate diphosphate decarboxylase 0.0714 0.7569 1
Brugia malayi MH2 domain containing protein 0.0138 0.1353 0.1725
Trypanosoma cruzi polo-like protein kinase, putative 0.0091 0.0848 0.1096
Trypanosoma cruzi galactokinase, putative 0.0327 0.339 0.4463
Trichomonas vaginalis galactokinase, putative 0.0327 0.339 0.4418
Leishmania major fucose kinase, putative 0.0138 0.1357 0.177
Trypanosoma brucei Putative Phosphatase/Protein of unknown function DUF89, putative 0.0175 0.175 0.2291
Echinococcus multilocularis serotonin transporter 0.0081 0.0736 0.0725
Echinococcus multilocularis sodium and chloride dependent glycine 0.0081 0.0736 0.0725
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0105 0.003
Loa Loa (eye worm) mannose-6-phosphate isomerase 0.0204 0.2062 0.3353
Plasmodium vivax 6-phosphofructokinase, putative 0.0028 0.0168 0.0604
Trichomonas vaginalis bromodomain-containing protein, putative 0.0044 0.0331 0.0332
Echinococcus multilocularis flap endonuclease 1 0.0025 0.0133 0.0121
Trypanosoma cruzi phosphomevalonate kinase protein, putative 0.0138 0.1357 0.177
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0044 0.0331 0.0944
Leishmania major mevalonate kinase, putative 0.0327 0.339 0.4463
Schistosoma mansoni kinase 0.0046 0.0363 0.0479
Echinococcus multilocularis mannose 6 phosphate isomerase 0.0204 0.2062 0.2052
Brugia malayi mannose-6-phosphate isomerase, class I family protein 0.0204 0.2062 0.2668
Schistosoma mansoni importin beta-1 0.0028 0.0162 0.0214
Schistosoma mansoni galactokinase 0.0327 0.339 0.4479
Brugia malayi Bromodomain containing protein 0.0034 0.0227 0.0226
Loa Loa (eye worm) MH2 domain-containing protein 0.0138 0.1353 0.2178
Loa Loa (eye worm) hypothetical protein 0.0142 0.1393 0.2243

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 0.025 ug ml-1 Compound was evaluated in vitro for antimicrobial activity against Escherichia coli 055 ChEMBL. 10866383
MIC (functional) = 0.025 ug ml-1 Compound was evaluated in vitro for antimicrobial activity against Escherichia coli DC 0 ChEMBL. 10866383
MIC (functional) = 0.025 ug ml-1 Compound was evaluated in vitro for antimicrobial activity against Escherichia coli DC 2 ChEMBL. 10866383
MIC (functional) = 0.098 ug ml-1 Compound was evaluated in vitro for antimicrobial activity against Escherichia coli 1507E ChEMBL. 10866383
MIC (functional) = 0.195 ug ml-1 Compound was evaluated in vitro for antimicrobial activity against Escherichia coli TEM ChEMBL. 10866383

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

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

Bibliographic References

No literature references available for this target.

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