Detailed information for compound 1135695

Basic information

Technical information
  • TDR Targets ID: 1135695
  • Name: 2-[[(5Z)-2-amino-5-[3-[(4,5-dibromo1H-pyrrole -2-carbonyl)amino]-2-hydroxypropylidene]imida zol-4-yl]amino]ethanesulfonic acid
  • MW: 528.176 | Formula: C13H16Br2N6O5S
  • H donors: 6 H acceptors: 5 LogP: 0.02 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 3
  • SMILES: OC(/C=C/1\NC(=N)N=C1NCCS(=O)(=O)O)CNC(=O)c1[nH]c(c(c1)Br)Br
  • InChi: 1S/C13H16Br2N6O5S/c14-7-4-9(19-10(7)15)12(23)18-5-6(22)3-8-11(21-13(16)20-8)17-1-2-27(24,25)26/h3-4,6,19,22H,1-2,5H2,(H,18,23)(H,24,25,26)(H3,16,17,20,21)/b8-3-
  • InChiKey: HXXOFJVFKMAZGM-BAQGIRSFSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[[(5Z)-2-amino-5-[3-[(4,5-dibromo1H-pyrrole-2-carbonyl)amino]-2-hydroxy-propylidene]imidazol-4-yl]amino]ethanesulfonic acid
  • 2-[[(5Z)-2-amino-5-[3-[[(4,5-dibromo-1H-pyrrol-2-yl)-oxomethyl]amino]-2-hydroxypropylidene]-4-imidazolyl]amino]ethanesulfonic acid
  • 2-[[(5Z)-2-amino-5-[3-[(4,5-dibromo-1H-pyrrol-2-yl)carbonylamino]-2-hydroxy-propylidene]imidazol-4-yl]amino]ethanesulfonic acid

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
Giardia lamblia Kinase, PLK 0.0094 0.1484 1
Echinococcus multilocularis oncosphere protein tso22e oncosphere protein tso22d oncosphere protein tso22c oncosphere protein tso22b oncosphere protein tso22 0.0131 0.2166 1
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0025 0.0247 0.1032
Echinococcus granulosus heat shock protein 90 0.0025 0.0247 0.1032
Onchocerca volvulus 0.015 0.25 1
Echinococcus granulosus PHD finger protein rhinoceros 0.003 0.0328 0.1412
Brugia malayi serine/threonine-protein kinase plk-2 0.0094 0.1484 0.5896
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.003 0.0328 0.1412
Leishmania major heat shock protein 83-1 0.0032 0.0363 0.2312
Mycobacterium ulcerans UDP-galactopyranose mutase Glf 0.0564 1 1
Trypanosoma brucei metacaspase MCA2 0.0045 0.0605 0.4077
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.0908 0.0679
Entamoeba histolytica heat shock protein 90, putative 0.0032 0.0363 0.2445
Trypanosoma cruzi metacaspase, putative 0.0045 0.0605 0.4077
Trypanosoma brucei heat shock protein, putative 0.0032 0.0363 0.2445
Loa Loa (eye worm) MH2 domain-containing protein 0.0121 0.1987 0.793
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.0045 0.0605 0.2708
Echinococcus granulosus apoptotic protease activating factor 1 0.0042 0.0549 0.2447
Trichomonas vaginalis heat shock protein, putative 0.0019 0.0142 0.0957
Brugia malayi jmjC domain containing protein 0.0036 0.0441 0.1677
Onchocerca volvulus Cell death protein 3 homolog 0.0087 0.1363 0.5405
Onchocerca volvulus 0.0042 0.0549 0.2117
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0045 0.0605 0.6565
Echinococcus multilocularis endoplasmin 0.0025 0.0247 0.1032
Leishmania major heat shock protein 83-1 0.0032 0.0363 0.2312
Leishmania major heat shock protein 83-1 0.0032 0.0363 0.2312
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0097 0.1548 0.7113
Trypanosoma cruzi metacaspase 5, putative 0.0045 0.0605 0.4077
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0045 0.0605 0.4077
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0605 0.4077
Schistosoma mansoni troponin I 0.0106 0.1705 0.7849
Brugia malayi Troponin T 0.0063 0.0927 0.3642
Trypanosoma cruzi heat shock protein, putative 0.0013 0.0026 0.0173
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0605 0.4077
Schistosoma mansoni troponin I 0.0106 0.1705 0.7849
Trypanosoma brucei heat shock protein, putative 0.0032 0.0363 0.2445
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0045 0.0605 0.4077
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0328 0.3422
Brugia malayi PHD-finger family protein 0.003 0.0328 0.1221
Trypanosoma brucei heat shock protein, putative 0.0032 0.0363 0.2445
Echinococcus granulosus jumonji domain containing protein 0.0041 0.0538 0.2393
Plasmodium vivax endoplasmin, putative 0.0032 0.0363 0.582
Schistosoma mansoni hypothetical protein 0.0106 0.1705 0.7849
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0605 0.4077
Echinococcus granulosus caspase 2 0.0087 0.1363 0.6249
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.0045 0.0605 0.2342
Echinococcus granulosus troponin i 0.0106 0.1705 0.7849
Schistosoma mansoni hypothetical protein 0.003 0.0328 0.1412
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0045 0.0605 0.4077
Brugia malayi hypothetical protein 0.0042 0.0549 0.2117
Echinococcus multilocularis troponin i 0.0106 0.1705 0.7849
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0094 0.1484 0.5896
Entamoeba histolytica serine/threonine protein kinase, putative 0.0094 0.1484 1
Schistosoma mansoni endoplasmin 0.0032 0.0363 0.1576
Schistosoma mansoni troponin t invertebrate 0.0131 0.2166 1
Leishmania major heat shock protein 83-1 0.0032 0.0363 0.2312
Trypanosoma cruzi heat shock protein 85, putative 0.0025 0.0247 0.1661
Schistosoma mansoni tsg101-related 0.0057 0.0829 0.3756
Brugia malayi Bromodomain containing protein 0.003 0.0328 0.1221
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0045 0.0605 0.4077
Trypanosoma brucei Heat shock protein 83, putative 0.0032 0.0363 0.2445
Echinococcus granulosus caspase 0.0119 0.1943 0.8959
Leishmania major heat shock protein 83-1 0.0032 0.0363 0.2312
Trypanosoma brucei Vps23 core domain containing protein, putative 0.0022 0.019 0.1281
Brugia malayi heat shock protein 90 0.0032 0.0363 0.1363
Trypanosoma brucei heat shock protein 84, putative 0.0013 0.0026 0.0173
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0062 0.0908 0.6051
Plasmodium vivax heat shock protein 86, putative 0.0032 0.0363 0.582
Echinococcus granulosus peregrin 0.003 0.0328 0.1412
Trypanosoma cruzi heat shock protein 90, putative 0.0019 0.0129 0.0868
Loa Loa (eye worm) hypothetical protein 0.0069 0.1038 0.4091
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0045 0.0605 0.4077
Trypanosoma cruzi heat shock protein 90, putative 0.0032 0.0363 0.2445
Brugia malayi hypothetical protein 0.0069 0.1038 0.4091
Toxoplasma gondii heat shock protein 90, putative 0.0032 0.0363 0.3821
Leishmania major heat shock protein 83-1 0.0032 0.0363 0.2312
Brugia malayi Troponin family protein 0.0106 0.1705 0.6789
Echinococcus multilocularis jumonji domain containing protein 0.0041 0.0538 0.2393
Trypanosoma brucei heat shock protein, putative 0.0032 0.0363 0.2445
Onchocerca volvulus Alhambra homolog 0.003 0.0328 0.1221
Brugia malayi Troponin T 0.0063 0.0927 0.3642
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.1484 1
Loa Loa (eye worm) hypothetical protein 0.0106 0.1705 0.6789
Loa Loa (eye worm) jmjC domain-containing protein 0.0036 0.0441 0.1677
Brugia malayi hypothetical protein 0.0063 0.0927 0.3642
Loa Loa (eye worm) troponin I 0.0106 0.1705 0.6789
Loa Loa (eye worm) hypothetical protein 0.0063 0.0927 0.3642
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.0908 0.0679
Toxoplasma gondii heat shock protein HSP90 0.0032 0.0363 0.3821
Trypanosoma brucei heat shock protein, putative 0.0032 0.0363 0.2445
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0094 0.1484 0.6816
Trypanosoma cruzi heat shock protein 85, putative 0.0032 0.0363 0.2445
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0605 0.4077
Brugia malayi Troponin I 0.0106 0.1705 0.6789
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0441 0.1939
Schistosoma mansoni heat shock protein 0.0032 0.0363 0.1576
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.063 0.4241
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.1484 1
Echinococcus granulosus oncosphere protein Tso22e 0.0131 0.2166 1
Echinococcus multilocularis caspase 0.0119 0.1943 0.8959
Schistosoma mansoni tsg101-related 0.0057 0.0829 0.3756
Schistosoma mansoni caspase-7 (C14 family) 0.0087 0.1363 0.6249
Schistosoma mansoni troponin I 0.0106 0.1705 0.7849
Trichomonas vaginalis hypothetical protein 0.0034 0.0399 0.2685
Trypanosoma cruzi metacaspase, putative 0.0045 0.0605 0.4077
Schistosoma mansoni serine/threonine protein kinase 0.0094 0.1484 0.6816
Echinococcus multilocularis apoptotic protease activating factor 1 0.0042 0.0549 0.2447
Loa Loa (eye worm) hypothetical protein 0.0051 0.0711 0.277
Plasmodium falciparum phd finger protein, putative 0.003 0.0328 0.5213
Trypanosoma brucei heat shock protein, putative 0.0032 0.0363 0.2445
Echinococcus granulosus heat shock protein 0.0032 0.0363 0.1576
Trypanosoma brucei heat shock protein, putative 0.0032 0.0363 0.2445
Loa Loa (eye worm) hypothetical protein 0.003 0.0328 0.1221
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0045 0.0605 0.6565
Loa Loa (eye worm) troponin T 0.0063 0.0927 0.3642
Leishmania major heat shock protein 83-1 0.0032 0.0363 0.2312
Trichomonas vaginalis endoplasmin, putative 0.0019 0.0142 0.0957
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0441 0.1939
Trichomonas vaginalis heat shock protein, putative 0.0025 0.0247 0.1661
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.1484 1
Loa Loa (eye worm) PHD-finger family protein 0.003 0.0328 0.1221
Leishmania major heat shock protein 83-1 0.0032 0.0363 0.2312
Trypanosoma cruzi polo-like protein kinase, putative 0.0094 0.1484 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0062 0.0908 0.0679
Mycobacterium tuberculosis UDP-galactopyranose mutase Glf (UDP-GALP mutase) (NAD+-flavin adenine dinucleotide-requiring enzyme) 0.0564 1 1
Schistosoma mansoni troponin I 0.0106 0.1705 0.7849
Loa Loa (eye worm) hypothetical protein 0.0045 0.0605 0.2342
Loa Loa (eye worm) troponin 0.0063 0.0927 0.3642
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.1484 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0045 0.0605 0.4077
Onchocerca volvulus Troponin T, skeletal muscle homolog 0.0063 0.0927 0.3642
Trypanosoma brucei heat shock protein, putative 0.0032 0.0363 0.2445
Echinococcus granulosus endoplasmin 0.0025 0.0247 0.1032
Leishmania major heat shock protein 83-1 0.0032 0.0363 0.2312
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0605 0.4077
Brugia malayi Troponin T 0.0063 0.0927 0.3642
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.0908 0.4125
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.0908 0.4125
Brugia malayi MH2 domain containing protein 0.0121 0.1987 0.793
Onchocerca volvulus Serine\/threonine kinase homolog 0.0094 0.1484 0.5896
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0094 0.1484 1
Trypanosoma brucei metacaspase MCA3 0.0045 0.0605 0.4077
Echinococcus multilocularis heat shock protein 90 0.0032 0.0363 0.1576
Trichomonas vaginalis heat shock protein, putative 0.0025 0.0247 0.1661
Loa Loa (eye worm) endoplasmin 0.0032 0.0363 0.1363
Loa Loa (eye worm) jmjC domain-containing protein 0.0061 0.0899 0.3529
Trypanosoma brucei heat shock protein 90, putative 0.0032 0.0363 0.2445
Schistosoma mansoni caspase-3 (C14 family) 0.0119 0.1943 0.8959
Leishmania major heat shock protein 83-1 0.0032 0.0363 0.2312
Trichomonas vaginalis heat shock protein, putative 0.0025 0.0247 0.1661
Plasmodium vivax metacaspase 1, putative 0.0045 0.0605 1
Trypanosoma brucei polo-like protein kinase 0.0094 0.1484 1
Trypanosoma brucei metacaspase 5, putative 0.0045 0.0605 0.4077
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.063 0.4241
Trypanosoma cruzi heat shock protein 90, putative 0.0025 0.0247 0.1661
Leishmania major heat shock protein 83-1 0.0032 0.0363 0.2312
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0062 0.0908 0.4125
Onchocerca volvulus Troponin T, skeletal muscle homolog 0.0131 0.2166 0.865
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.1484 1
Toxoplasma gondii aldehyde dehydrogenase 0.0062 0.0908 1
Plasmodium falciparum endoplasmin, putative 0.0019 0.0142 0.2008
Trypanosoma cruzi Vps23 core domain containing protein, putative 0.0022 0.019 0.1281
Leishmania major hypothetical protein, conserved 0.0022 0.019 0.1127
Echinococcus granulosus caspase 8 0.0045 0.0605 0.2708
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.1484 1
Schistosoma mansoni caspase-7 (C14 family) 0.0119 0.1943 0.8959
Schistosoma mansoni hypothetical protein 0.0042 0.0549 0.2447
Giardia lamblia Heat shock protein HSP 90-alpha 0.0032 0.0363 0.094
Echinococcus multilocularis caspase 2 0.0087 0.1363 0.6249
Loa Loa (eye worm) hypothetical protein 0.0087 0.1363 0.5405
Entamoeba histolytica heat shock protein 90, putative 0.0032 0.0363 0.2445
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0045 0.0605 0.6565
Leishmania major heat shock protein 83-1 0.0032 0.0363 0.2312
Trypanosoma cruzi metacaspase 5, putative 0.0045 0.0605 0.4077
Leishmania major heat shock protein 83-1 0.0032 0.0363 0.2312
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.0119 0.1943 0.8959
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0045 0.0605 0.4077
Entamoeba histolytica 90 kDa heat shock protein, putative 0.0013 0.0026 0.0173
Trichomonas vaginalis heat shock protein, putative 0.0032 0.0363 0.2445
Leishmania major heat shock protein 83-1 0.0032 0.0363 0.2312
Leishmania major heat shock protein 83-1 0.0032 0.0363 0.2312
Brugia malayi Endoplasmin precursor 0.0032 0.0363 0.1363
Echinococcus multilocularis heat shock protein 0.0032 0.0363 0.1576
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0062 0.0908 0.4125
Echinococcus multilocularis caspase 3 0.0074 0.1129 0.5156
Leishmania major metacaspase, putative 0.0045 0.0605 0.3973
Echinococcus multilocularis caspase 8 0.0045 0.0605 0.2708
Plasmodium falciparum metacaspase 1 0.0045 0.0605 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.0549 0.2117
Trypanosoma brucei Metacaspase-4 0.0045 0.0605 0.4077
Leishmania major heat shock protein 83-1 0.0032 0.0363 0.2312
Treponema pallidum heat shock protein 90 0.0025 0.0247 0.5
Schistosoma mansoni tsg101-related 0.0047 0.0639 0.2867
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.0908 0.0679
Echinococcus multilocularis heat shock protein 90 0.0025 0.0247 0.1032
Loa Loa (eye worm) hypothetical protein 0.015 0.25 1
Plasmodium vivax hypothetical protein, conserved 0.0045 0.0605 1
Giardia lamblia PHD finger protein 15 0.003 0.0328 0.0656
Trypanosoma cruzi Heat shock protein 83, putative 0.0032 0.0363 0.2445
Loa Loa (eye worm) hypothetical protein 0.0106 0.1705 0.6789
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0025 0.0247 0.1514
Plasmodium falciparum metacaspase-like protein 0.0045 0.0605 1
Schistosoma mansoni heat shock protein 0.0032 0.0363 0.1576
Trypanosoma cruzi heat shock protein 85, putative 0.0032 0.0363 0.2445
Schistosoma mansoni jumonji domain containing protein 0.0077 0.1187 0.5426
Echinococcus multilocularis lysine specific demethylase 5A 0.0036 0.0441 0.1939
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0119 0.1943 0.8959
Brugia malayi jmjC domain containing protein 0.0097 0.1548 0.6153
Echinococcus multilocularis peregrin 0.003 0.0328 0.1412
Brugia malayi hypothetical protein 0.015 0.25 1
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0025 0.0247 0.5
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0328 0.3422
Trypanosoma cruzi polo-like protein kinase, putative 0.0094 0.1484 1
Trichomonas vaginalis heat shock protein, putative 0.0013 0.0026 0.0173
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0094 0.1484 0.6816
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0097 0.1548 0.7113
Loa Loa (eye worm) transcription factor SMAD2 0.0121 0.1987 0.793
Echinococcus granulosus lysine specific demethylase 5A 0.0036 0.0441 0.1939
Brugia malayi Cell death protein 3 precursor 0.0087 0.1363 0.5405
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.1484 1
Echinococcus multilocularis PHD finger protein rhinoceros 0.003 0.0328 0.1412
Echinococcus granulosus tumor susceptibility gene 101 protein 0.0069 0.1038 0.473
Echinococcus granulosus caspase 3 0.0074 0.1129 0.5156
Trypanosoma cruzi metacaspase, putative 0.0045 0.0605 0.4077
Plasmodium falciparum heat shock protein 90 0.0032 0.0363 0.582
Trypanosoma brucei metacaspase 0.0045 0.0605 0.4077
Schistosoma mansoni endoplasmin 0.0032 0.0363 0.1576
Schistosoma mansoni kinase 0.0048 0.0652 0.2926
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0605 0.4077
Entamoeba histolytica tumor susceptibility gene 101 protein, putative 0.0047 0.0639 0.4306
Echinococcus multilocularis tumor susceptibility gene 101 protein 0.0069 0.1038 0.473
Loa Loa (eye worm) heat shock protein 90 0.0032 0.0363 0.1363
Trypanosoma brucei heat shock protein 90, putative 0.0032 0.0363 0.2445
Trypanosoma cruzi heat shock protein 85, putative 0.0032 0.0363 0.2445
Onchocerca volvulus Troponin I homolog 0.0106 0.1705 0.6789
Plasmodium vivax hypothetical protein, conserved 0.003 0.0328 0.5213
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0045 0.0605 0.4077
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0045 0.0605 0.4077
Echinococcus granulosus heat shock protein 90 0.0032 0.0363 0.1576
Trypanosoma cruzi metacaspase, putative 0.0045 0.0605 0.4077
Leishmania major heat shock protein 83-1 0.0032 0.0363 0.2312

Activities

No activities found for this compound.

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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