Detailed information for compound 1848210

Basic information

Technical information
  • TDR Targets ID: 1848210
  • Name: [(2R,3R,4R,5R)-4-acetyloxy-5-(methoxymethyl)- 2-(2,5,6-trichlorobenzimidazol-1-yl)oxolan-3- yl] acetate
  • MW: 451.686 | Formula: C17H17Cl3N2O6
  • H donors: 0 H acceptors: 3 LogP: 3.18 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC[C@H]1O[C@H]([C@@H]([C@@H]1OC(=O)C)OC(=O)C)n1c(Cl)nc2c1cc(Cl)c(c2)Cl
  • InChi: 1S/C17H17Cl3N2O6/c1-7(23)26-14-13(6-25-3)28-16(15(14)27-8(2)24)22-12-5-10(19)9(18)4-11(12)21-17(22)20/h4-5,13-16H,6H2,1-3H3/t13-,14-,15-,16-/m1/s1
  • InChiKey: XUQRUYTUUXRETK-KLHDSHLOSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • [(2R,3R,4R,5R)-4-acetoxy-5-(methoxymethyl)-2-(2,5,6-trichlorobenzimidazol-1-yl)tetrahydrofuran-3-yl] acetate
  • acetic acid [(2R,3R,4R,5R)-4-acetoxy-5-(methoxymethyl)-2-(2,5,6-trichloro-1-benzimidazolyl)-3-tetrahydrofuranyl] ester
  • acetic acid [(2R,3R,4R,5R)-4-acetoxy-5-(methoxymethyl)-2-(2,5,6-trichlorobenzimidazol-1-yl)tetrahydrofuran-3-yl] ester
  • [(2R,3R,4R,5R)-4-acetyloxy-5-(methoxymethyl)-2-(2,5,6-trichlorobenzimidazol-1-yl)oxolan-3-yl] ethanoate
  • AIDS-192698
  • AIDS192698
  • Acetic acid, 4-acetoxy-2-methoxymethyl-5-(2,5,6-trichloro-benzoimidazol-1-yl)-tetrahydro-furan-3-yl ester

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
Brugia malayi Bromodomain containing protein 0.0075 0.0458 0.0424
Loa Loa (eye worm) G-protein coupled receptor 0.007 0.0416 0.0416
Mycobacterium tuberculosis Conserved protein 0.016 0.117 0.1224
Schistosoma mansoni adenoreceptor 0.007 0.0416 0.0416
Loa Loa (eye worm) hypothetical protein 0.007 0.0416 0.0416
Brugia malayi Dopamine receptor protein 2 0.007 0.0416 0.0381
Loa Loa (eye worm) hypothetical protein 0.016 0.117 0.117
Loa Loa (eye worm) TYRA-2 protein 0.007 0.0416 0.0416
Mycobacterium tuberculosis Conserved protein 0.016 0.117 0.1224
Schistosoma mansoni alpha-1 adrenergic receptor 0.007 0.0416 0.0416
Loa Loa (eye worm) hypothetical protein 0.0047 0.0222 0.0222
Echinococcus granulosus histone lysine methyltransferase setb 0.0047 0.0222 0.0206
Schistosoma mansoni rhodopsin-like orphan GPCR 0.007 0.0416 0.0416
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.016 0.117 0.117
Echinococcus granulosus neuropeptides capa receptor 0.007 0.0416 0.04
Onchocerca volvulus 0.0048 0.0233 0.0918
Loa Loa (eye worm) hypothetical protein 0.007 0.0416 0.0416
Loa Loa (eye worm) hypothetical protein 0.016 0.117 0.117
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.007 0.0416 0.0416
Loa Loa (eye worm) hypothetical protein 0.0043 0.0186 0.0186
Echinococcus multilocularis peregrin 0.0032 0.0092 0.0076
Plasmodium vivax glycylpeptide N-tetradecanoyltransferase, putative 0.0178 0.1322 1
Giardia lamblia CDC72 0.0178 0.1322 0.1259
Echinococcus multilocularis neuropeptide s receptor 0.007 0.0416 0.04
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0047 0.0222 0.0206
Mycobacterium tuberculosis Probable lipase LipE 0.016 0.117 0.1224
Mycobacterium leprae Probable lipase LipE 0.016 0.117 0.0504
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.016 0.117 0.117
Echinococcus multilocularis survival motor neuron protein 1 0.0237 0.182 0.1807
Loa Loa (eye worm) hypothetical protein 0.007 0.0416 0.0416
Echinococcus granulosus allatostatin A receptor 0.007 0.0416 0.04
Echinococcus granulosus somatostatin receptor 0.007 0.0416 0.04
Loa Loa (eye worm) hypothetical protein 0.007 0.0416 0.0416
Onchocerca volvulus 0.007 0.0416 0.1962
Schistosoma mansoni bromodomain containing protein 0.0063 0.036 0.036
Schistosoma mansoni sex comb on midleg homolog 0.0053 0.027 0.027
Schistosoma mansoni biogenic amine receptor 0.007 0.0416 0.0416
Schistosoma mansoni opsin-like receptor 0.007 0.0416 0.0416
Trichomonas vaginalis CMGC family protein kinase 0.1209 1 1
Trichomonas vaginalis set domain proteins, putative 0.0237 0.1823 0.1691
Mycobacterium tuberculosis Probable conserved lipoprotein 0.016 0.117 0.1224
Trichomonas vaginalis CMGC family protein kinase 0.1209 1 1
Echinococcus granulosus neuropeptide receptor 0.007 0.0416 0.04
Loa Loa (eye worm) melatonin receptor type 1A 0.007 0.0416 0.0416
Loa Loa (eye worm) hypothetical protein 0.007 0.0416 0.0416
Echinococcus granulosus alpha 1A adrenergic receptor 0.007 0.0416 0.04
Echinococcus multilocularis neuropeptides capa receptor 0.007 0.0416 0.04
Brugia malayi Serotonin receptor 0.007 0.0416 0.0381
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0129 0.0129
Schistosoma mansoni ap endonuclease 0.004 0.016 0.016
Echinococcus multilocularis biogenic amine (5HT) receptor 0.007 0.0416 0.04
Brugia malayi hypothetical protein 0.007 0.0416 0.0381
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0212 0.0196
Echinococcus multilocularis polycomb protein SCMH1 0.0053 0.027 0.0254
Brugia malayi RE15519p 0.007 0.0416 0.0381
Echinococcus granulosus rhodopsin orphan GPCR 0.007 0.0416 0.04
Schistosoma mansoni neuropeptide receptor 0.007 0.0416 0.0416
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.007 0.0416 0.04
Echinococcus granulosus fmrfamide receptor 0.007 0.0416 0.04
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0063 0.036 0.0344
Echinococcus granulosus rhodopsin orphan GPCR 0.007 0.0416 0.04
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.007 0.0416 0.04
Echinococcus multilocularis histone acetyltransferase MYST2 0.006 0.0331 0.0316
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0812 0.6664 0.6658
Loa Loa (eye worm) hypothetical protein 0.007 0.0416 0.0416
Schistosoma mansoni neuropeptide F-like receptor 0.007 0.0416 0.0416
Schistosoma mansoni hypothetical protein 0.007 0.0416 0.0416
Brugia malayi Calcitonin receptor-like protein seb-1 0.0055 0.029 0.0255
Loa Loa (eye worm) hypothetical protein 0.007 0.0416 0.0416
Echinococcus granulosus peptide allatostatin:somatostatin 0.007 0.0416 0.04
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0059 0.0324 0.0324
Loa Loa (eye worm) hypothetical protein 0.007 0.0416 0.0416
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.007 0.0416 0.0381
Entamoeba histolytica exodeoxyribonuclease III, putative 0.004 0.016 0.014
Mycobacterium ulcerans class a beta-lactamase, BlaC 0.0988 0.814 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0078 0.0062
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0096 0.0631 0.0616
Brugia malayi hypothetical protein 0.007 0.0416 0.0381
Trypanosoma cruzi hypothetical protein, conserved 0.016 0.117 0.1027
Echinococcus multilocularis rhodopsin orphan GPCR 0.007 0.0416 0.04
Trypanosoma brucei protein kinase, putative 0.1209 1 1
Echinococcus granulosus SAM and MBT domain containing protein 0.0053 0.027 0.0254
Loa Loa (eye worm) hypothetical protein 0.007 0.0416 0.0416
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.014 0.014
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 0.2291 0.2166
Onchocerca volvulus 0.016 0.117 0.6272
Brugia malayi Tachykinin-like peptides receptor 99D 0.007 0.0416 0.0381
Onchocerca volvulus 0.0053 0.027 0.113
Brugia malayi neuropeptide F receptor 0.007 0.0416 0.0381
Brugia malayi G-protein coupled receptor 0.007 0.0416 0.0381
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.0143 0.0107
Echinococcus granulosus hypothetical protein 0.007 0.0416 0.04
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0129 0.0113
Schistosoma mansoni myelin transcription factor 1 myt1 0.006 0.0331 0.0331
Echinococcus granulosus neuropeptide Y receptor 0.007 0.0416 0.04
Schistosoma mansoni hypothetical protein 0.0048 0.0233 0.0233
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0047 0.0222 0.0222
Loa Loa (eye worm) hypothetical protein 0.007 0.0416 0.0416
Echinococcus multilocularis mitogen activated protein kinase 3 0.1209 1 1
Schistosoma mansoni N-myristoyltransferase 0.0178 0.1322 0.1322
Brugia malayi beta-lactamase family protein 0.016 0.117 0.1139
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.007 0.0416 0.04
Onchocerca volvulus 0.003 0.0078 0.0034
Brugia malayi mbt repeat family protein 0.0053 0.027 0.0235
Echinococcus granulosus survival motor neuron protein 1 0.0237 0.182 0.1807
Leishmania major N-myristoyl transferase, putative 0.0178 0.1322 0.1181
Schistosoma mansoni rhodopsin-like orphan GPCR 0.007 0.0416 0.0416
Echinococcus multilocularis dro:myosuppressin receptor 0.007 0.0416 0.04
Schistosoma mansoni hypothetical protein 0.0029 0.0072 0.0072
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.007 0.0416 0.0416
Echinococcus multilocularis rhodopsin orphan GPCR 0.007 0.0416 0.04
Echinococcus multilocularis fmrfamide receptor 0.007 0.0416 0.04
Echinococcus granulosus biogenic amine 5HT receptor 0.007 0.0416 0.04
Schistosoma mansoni serine/threonine protein kinase 0.1209 1 1
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.007 0.0416 0.0381
Echinococcus granulosus dro:myosuppressin receptor 0.007 0.0416 0.04
Onchocerca volvulus 0.016 0.117 0.6272
Loa Loa (eye worm) neuropeptide F receptor 0.007 0.0416 0.0416
Brugia malayi hypothetical protein 0.007 0.0416 0.0381
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.007 0.0416 0.0416
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 0.2291 0.2166
Echinococcus multilocularis rhodopsin orphan GPCR 0.007 0.0416 0.04
Schistosoma mansoni amine GPCR 0.007 0.0416 0.0416
Schistosoma mansoni hypothetical protein 0.007 0.0416 0.0416
Echinococcus granulosus peregrin 0.0032 0.0092 0.0076
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0216 0.1642 0.1629
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.007 0.0416 0.04
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0096 0.0631 0.0616
Echinococcus granulosus polycomb protein SCMH1 0.0053 0.027 0.0254
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.007 0.0416 0.04
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0063 0.036 0.0251
Leishmania major hypothetical protein, conserved 0.016 0.117 0.1027
Loa Loa (eye worm) hypothetical protein 0.0071 0.0422 0.0422
Brugia malayi hypothetical protein 0.007 0.0416 0.0381
Echinococcus multilocularis fmrfamide receptor 0.007 0.0416 0.04
Echinococcus granulosus neuropeptide FF receptor 2 0.007 0.0416 0.04
Echinococcus granulosus orexin receptor type 2 0.007 0.0416 0.04
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 0.2291 0.2166
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.007 0.0416 0.04
Loa Loa (eye worm) hypothetical protein 0.016 0.117 0.117
Brugia malayi Melatonin receptor type 1A 0.007 0.0416 0.0381
Trichomonas vaginalis esterase, putative 0.016 0.117 0.1027
Brugia malayi beta-lactamase 0.016 0.117 0.1139
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.007 0.0416 0.04
Brugia malayi putative neuropeptide receptor 0.007 0.0416 0.0381
Brugia malayi hypothetical protein 0.007 0.0416 0.0381
Echinococcus granulosus tachykinin peptides receptor 99D 0.007 0.0416 0.04
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.014 0.014
Echinococcus granulosus neuropeptide receptor A26 0.007 0.0416 0.04
Schistosoma mansoni rhodopsin-like orphan GPCR 0.007 0.0416 0.0416
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.007 0.0416 0.04
Schistosoma mansoni hypothetical protein 0.007 0.0416 0.0416
Echinococcus multilocularis serotonin receptor 0.007 0.0416 0.04
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.007 0.0416 0.04
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0143 0.103 0.1091
Loa Loa (eye worm) hypothetical protein 0.007 0.0416 0.0416
Loa Loa (eye worm) hypothetical protein 0.007 0.0416 0.0416
Loa Loa (eye worm) neuropeptide F receptor 0.007 0.0416 0.0416
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0212 0.0196
Schistosoma mansoni biogenic amine (dopamine) receptor 0.007 0.0416 0.0416
Loa Loa (eye worm) hypothetical protein 0.007 0.0416 0.0416
Brugia malayi Bromodomain containing protein 0.0038 0.0149 0.0113
Echinococcus multilocularis alpha 1A adrenergic receptor 0.007 0.0416 0.04
Trichomonas vaginalis N-myristoyl transferase, putative 0.0178 0.1322 0.1181
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.1209 1 1
Giardia lamblia Kinase, CMGC MAPK 0.1209 1 1
Echinococcus multilocularis sex peptide receptor 0.007 0.0416 0.04
Onchocerca volvulus 0.007 0.0416 0.1962
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.1209 1 1
Brugia malayi hypothetical protein 0.0237 0.182 0.179
Echinococcus multilocularis serotonin receptor 0.007 0.0416 0.04
Brugia malayi G-protein coupled receptor 0.007 0.0416 0.0381
Echinococcus granulosus neuropeptide s receptor 0.007 0.0416 0.04
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0063 0.036 0.036
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0212 0.0212
Loa Loa (eye worm) hypothetical protein 0.007 0.0416 0.0416
Loa Loa (eye worm) N-myristoyltransferase 2 0.0178 0.1322 0.1322
Schistosoma mansoni rhodopsin-like orphan GPCR 0.007 0.0416 0.0416
Brugia malayi PHD-finger family protein 0.0029 0.0072 0.0036
Schistosoma mansoni ap endonuclease 0.004 0.016 0.016
Loa Loa (eye worm) hypothetical protein 0.007 0.0416 0.0416
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.007 0.0416 0.1962
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.006 0.0331 0.0296
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 0.2291 0.2166
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.007 0.0416 0.0416
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.1209 1 1
Loa Loa (eye worm) hypothetical protein 0.007 0.0416 0.0416
Schistosoma mansoni amine GPCR 0.007 0.0416 0.0416
Trypanosoma brucei hypothetical protein, conserved 0.016 0.117 0.1027
Echinococcus granulosus neuropeptide receptor 0.007 0.0416 0.04
Schistosoma mansoni survival motor neuron protein 0.0048 0.0233 0.0233
Plasmodium falciparum glycylpeptide N-tetradecanoyltransferase 0.0178 0.1322 1
Loa Loa (eye worm) hypothetical protein 0.007 0.0416 0.0416
Brugia malayi gonadotropin-releasing hormone receptor 2 0.007 0.0416 0.0381
Loa Loa (eye worm) hypothetical protein 0.007 0.0416 0.0416
Trichomonas vaginalis penicillin-binding protein, putative 0.016 0.117 0.1027
Echinococcus multilocularis tachykinin peptides receptor 99D 0.007 0.0416 0.04
Trypanosoma brucei beta lactamase 0.0474 0.3817 0.3716
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0212 0.0212
Trichomonas vaginalis D-aminoacylase, putative 0.016 0.117 0.1027
Onchocerca volvulus 0.007 0.0416 0.1962
Brugia malayi Dopamine receptor 0.007 0.0416 0.0381
Echinococcus granulosus thyrotropin releasing hormone receptor 0.007 0.0416 0.04
Echinococcus granulosus biogenic amine 5HT receptor 0.007 0.0416 0.04
Onchocerca volvulus 0.007 0.0416 0.1962
Brugia malayi hypothetical protein 0.007 0.0416 0.0381
Schistosoma mansoni hypothetical protein 0.007 0.0416 0.0416
Echinococcus granulosus rhodopsin orphan GPCR 0.007 0.0416 0.04
Loa Loa (eye worm) beta-lactamase 0.016 0.117 0.117
Loa Loa (eye worm) hypothetical protein 0.0055 0.029 0.029
Loa Loa (eye worm) hypothetical protein 0.007 0.0416 0.0416
Echinococcus multilocularis glycylpeptide N tetradecanoyltransferase 0.0178 0.1322 0.1308
Schistosoma mansoni biogenic amine receptor 0.007 0.0416 0.0416
Echinococcus granulosus rhodopsin orphan GPCR 0.007 0.0416 0.04
Echinococcus granulosus lysine specific demethylase 5A 0.0037 0.014 0.0124
Onchocerca volvulus 0.007 0.0416 0.1962
Schistosoma mansoni biogenic amine (dopamine) receptor 0.007 0.0416 0.0416
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.007 0.0416 0.0416
Echinococcus multilocularis neuropeptide FF receptor 2 0.007 0.0416 0.04
Echinococcus granulosus g protein coupled receptor 0.007 0.0416 0.04
Echinococcus multilocularis neuropeptide receptor A26 0.007 0.0416 0.04
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0293 0.2291 1
Onchocerca volvulus 0.007 0.0416 0.1962
Loa Loa (eye worm) hypothetical protein 0.007 0.0416 0.0416
Echinococcus granulosus sex peptide receptor 0.007 0.0416 0.04
Trichomonas vaginalis D-aminoacylase, putative 0.016 0.117 0.1027
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0063 0.036 0.0344
Loa Loa (eye worm) hypothetical protein 0.007 0.0416 0.0416
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.0124 0.0108
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.007 0.0416 0.0416
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.007 0.0416 0.0416
Brugia malayi hypothetical protein 0.007 0.0416 0.0381
Trypanosoma cruzi N-myristoyl transferase, putative 0.0178 0.1322 0.1181
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.004 0.016 0.0144
Brugia malayi hypothetical protein 0.0036 0.0129 0.0094
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.007 0.0416 0.04
Echinococcus granulosus G protein coupled receptor 139 0.007 0.0416 0.04
Schistosoma mansoni biogenic amine (5HT) receptor 0.007 0.0416 0.0416
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 0.2291 0.2166
Schistosoma mansoni amine GPCR 0.007 0.0416 0.0416
Mycobacterium tuberculosis Probable lipase LipD 0.016 0.117 0.1224
Brugia malayi sulfakinin receptor protein 0.007 0.0416 0.0381
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 0.2291 0.2166
Brugia malayi mbt repeat family protein 0.0053 0.027 0.0235
Loa Loa (eye worm) hypothetical protein 0.007 0.0416 0.0416
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.007 0.0416 0.0416
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0053 0.027 0.113
Echinococcus granulosus tm gpcr rhodopsin 0.007 0.0416 0.04
Echinococcus granulosus beta LACTamase domain containing family member 0.016 0.117 0.1156
Mycobacterium tuberculosis Probable hydrolase 0.016 0.117 0.1224
Echinococcus multilocularis rhodopsin orphan GPCR 0.007 0.0416 0.04
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0047 0.0222 0.0222
Schistosoma mansoni myosin xvIII 0.007 0.0416 0.0416
Echinococcus multilocularis PHD finger protein rhinoceros 0.0029 0.0072 0.0056
Schistosoma mansoni neuropeptide F-like receptor 0.007 0.0416 0.0416
Mycobacterium ulcerans esterase/lipase LipP 0.016 0.117 0.1267
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.016 0.117 0.1224
Schistosoma mansoni neuropeptide receptor 0.007 0.0416 0.0416
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.007 0.0416 0.04
Onchocerca volvulus 0.0237 0.1823 1
Trypanosoma brucei N-myristoyltransferase 0.0178 0.1322 0.1181
Loa Loa (eye worm) hypothetical protein 0.005 0.0247 0.0247
Loa Loa (eye worm) mbt repeat family protein 0.0053 0.027 0.027
Loa Loa (eye worm) hypothetical protein 0.007 0.0416 0.0416
Echinococcus granulosus mitogen activated protein kinase 0.1209 1 1
Echinococcus multilocularis allatostatin A receptor 0.007 0.0416 0.04
Loa Loa (eye worm) hypothetical protein 0.016 0.117 0.117
Brugia malayi hypothetical protein 0.007 0.0416 0.0381
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.007 0.0416 0.0416
Echinococcus granulosus rhodopsin orphan GPCR 0.007 0.0416 0.04
Brugia malayi GnHR receptor homolog 0.007 0.0416 0.0381
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.006 0.0331 0.0316
Loa Loa (eye worm) hypothetical protein 0.007 0.0416 0.0416
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 0.2291 0.2166
Schistosoma mansoni biogenic amine receptor 0.007 0.0416 0.0416
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0055 0.029 0.0255
Loa Loa (eye worm) jmjC domain-containing protein 0.0037 0.014 0.014
Brugia malayi larval opioid receptor 0.007 0.0416 0.0381
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0208 0.1581 0.1581
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0212 0.0196
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.007 0.0416 0.0416
Echinococcus granulosus tm gpcr rhodopsin 0.007 0.0416 0.04
Loa Loa (eye worm) hypothetical protein 0.007 0.0416 0.0416
Mycobacterium tuberculosis Probable conserved lipoprotein LpqF 0.0474 0.3817 0.4429
Schistosoma mansoni neuropeptide receptor 0.007 0.0416 0.0416
Echinococcus granulosus neuropeptide Y receptor 0.007 0.0416 0.04
Entamoeba histolytica glycylpeptide N-tetradecanoyltransferase, putative 0.0178 0.1322 0.5517
Loa Loa (eye worm) hypothetical protein 0.007 0.0416 0.0416
Echinococcus granulosus tm gpcr rhodopsin 0.007 0.0416 0.04
Schistosoma mansoni growth hormone secretagogue receptor 0.007 0.0416 0.0416
Echinococcus granulosus rhodopsin orphan GPCR 0.007 0.0416 0.04
Trichomonas vaginalis N-myristoyl transferase, putative 0.0117 0.0809 0.066
Loa Loa (eye worm) hypothetical protein 0.0237 0.182 0.182
Echinococcus multilocularis somatostatin receptor 0.007 0.0416 0.04
Brugia malayi jmjC domain containing protein 0.0037 0.014 0.0104
Mycobacterium ulcerans lipase LipD 0.016 0.117 0.1267
Echinococcus granulosus serotonin receptor 0.007 0.0416 0.04
Loa Loa (eye worm) hypothetical protein 0.007 0.0416 0.0416
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.006 0.0331 0.0316
Loa Loa (eye worm) hypothetical protein 0.007 0.0416 0.0416
Loa Loa (eye worm) PHD-finger family protein 0.0029 0.0072 0.0072
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0063 0.036 0.0325
Echinococcus granulosus glycylpeptide N tetradecanoyltransferase 0.0178 0.1322 0.1308
Loa Loa (eye worm) follicle stimulating hormone receptor 0.007 0.0416 0.0416
Schistosoma mansoni sex comb on midleg homolog 0.0053 0.027 0.027
Echinococcus multilocularis g protein coupled receptor 0.007 0.0416 0.04
Trypanosoma cruzi hypothetical protein, conserved 0.016 0.117 0.1027
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.1209 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.007 0.0416 0.0416
Trypanosoma brucei N-myristoyl transferase, putative 0.0178 0.1322 0.1181
Echinococcus granulosus PHD finger protein rhinoceros 0.0029 0.0072 0.0056
Schistosoma mansoni hypothetical protein 0.0036 0.0129 0.0129
Mycobacterium tuberculosis Possible penicillin-binding protein 0.102 0.8416 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.1209 1 1
Brugia malayi Pre-SET motif family protein 0.003 0.0078 0.0042
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0212 0.0212
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0063 0.036 0.0242
Echinococcus granulosus 7tm_1 domain containing protein 0.007 0.0416 0.04
Echinococcus multilocularis g protein coupled receptor 0.007 0.0416 0.04
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0216 0.1642 0.1629
Loa Loa (eye worm) hypothetical protein 0.007 0.0416 0.0416
Loa Loa (eye worm) hypothetical protein 0.007 0.0416 0.0416
Schistosoma mansoni biogenic amine (5HT) receptor 0.007 0.0416 0.0416
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0078 0.0078
Loa Loa (eye worm) hypothetical protein 0.007 0.0416 0.0416
Echinococcus granulosus neuropeptides capa receptor 0.007 0.0416 0.04
Schistosoma mansoni histamine h1 receptor 0.007 0.0416 0.0416
Onchocerca volvulus 0.007 0.0416 0.1962
Loa Loa (eye worm) hypothetical protein 0.016 0.117 0.117
Echinococcus multilocularis mitogen activated protein kinase 0.1209 1 1
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.007 0.0416 0.04
Loa Loa (eye worm) hypothetical protein 0.0038 0.0143 0.0143
Loa Loa (eye worm) hypothetical protein 0.007 0.0416 0.0416
Loa Loa (eye worm) MBCTL1 0.006 0.0331 0.0331
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.007 0.0416 0.04
Loa Loa (eye worm) hypothetical protein 0.007 0.0416 0.0416
Mycobacterium leprae conserved hypothetical protein 0.016 0.117 0.0504
Echinococcus multilocularis SAM and MBT domain containing protein 0.0053 0.027 0.0254
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.007 0.0416 0.0416
Loa Loa (eye worm) hypothetical protein 0.0041 0.017 0.017
Brugia malayi jmjC domain containing protein 0.0096 0.0631 0.0597
Loa Loa (eye worm) hypothetical protein 0.016 0.117 0.117
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0016 0.0016
Onchocerca volvulus 0.007 0.0416 0.1962
Treponema pallidum fructose-bisphosphate aldolase 0.0293 0.2291 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0212 0.0176
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0129 0.0113
Loa Loa (eye worm) hypothetical protein 0.0053 0.027 0.027
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.004 0.016 0.0702
Loa Loa (eye worm) hypothetical protein 0.006 0.0331 0.0331
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0129 0.0113
Brugia malayi Serotonin/octopamine receptor family protein 7 0.007 0.0416 0.0381
Echinococcus multilocularis neuropeptide Y receptor 0.007 0.0416 0.04
Trichomonas vaginalis CMGC family protein kinase 0.1209 1 1
Onchocerca volvulus 0.007 0.0416 0.1962
Loa Loa (eye worm) hypothetical protein 0.007 0.0416 0.0416
Schistosoma mansoni neuropeptide receptor 0.007 0.0416 0.0416
Echinococcus granulosus g protein coupled receptor 0.007 0.0416 0.04
Brugia malayi hypothetical protein 0.007 0.0416 0.0381
Mycobacterium tuberculosis Conserved protein 0.016 0.117 0.1224
Echinococcus multilocularis neuropeptide receptor 0.007 0.0416 0.04
Schistosoma mansoni rhodopsin-like orphan GPCR 0.007 0.0416 0.0416
Schistosoma mansoni hypothetical protein 0.0038 0.0143 0.0143
Onchocerca volvulus 0.007 0.0416 0.1962
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0068 0.0052
Loa Loa (eye worm) G-protein coupled receptor 0.007 0.0416 0.0416
Brugia malayi follicle stimulating hormone receptor 0.007 0.0416 0.0381
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.004 0.016 0.016
Loa Loa (eye worm) hypothetical protein 0.007 0.0416 0.0416
Onchocerca volvulus 0.007 0.0416 0.1962
Brugia malayi Dopamine receptor protein 1 0.007 0.0416 0.0381
Schistosoma mansoni neuropeptide f receptor 76f 0.007 0.0416 0.0416
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.1209 1 1
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.007 0.0416 0.04
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0143 0.103 0.1054
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0055 0.029 0.029
Schistosoma mansoni opsin-like receptor 0.007 0.0416 0.0416
Trichomonas vaginalis CMGC family protein kinase 0.1209 1 1
Brugia malayi G protein-coupled receptor 0.007 0.0416 0.0381
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.007 0.0416 0.0416
Brugia malayi AKH receptor 0.007 0.0416 0.0381
Loa Loa (eye worm) hypothetical protein 0.007 0.0416 0.0416
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.007 0.0416 0.0416
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.004 0.016 0.0144
Echinococcus multilocularis g protein coupled receptor 0.007 0.0416 0.04
Plasmodium vivax SET domain protein, putative 0.003 0.0078 0.0047
Brugia malayi Bromodomain containing protein 0.0032 0.0092 0.0056
Schistosoma mansoni amine GPCR 0.007 0.0416 0.0416
Mycobacterium ulcerans lipoprotein LpqF 0.0474 0.3817 0.4583
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0063 0.036 0.0203
Echinococcus multilocularis neuropeptides capa receptor 0.007 0.0416 0.04
Trichomonas vaginalis penicillin-binding protein, putative 0.016 0.117 0.1027
Giardia lamblia Fructose-bisphosphate aldolase 0.0293 0.2291 0.2235
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0129 0.0113
Echinococcus multilocularis rhodopsin orphan GPCR 0.007 0.0416 0.04
Echinococcus multilocularis beta LACTamase domain containing family member 0.016 0.117 0.1156
Schistosoma mansoni rhodopsin-like orphan GPCR 0.007 0.0416 0.0416
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.004 0.016 0.5
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.004 0.016 0.0088
Echinococcus granulosus jumonji domain containing protein 0.0041 0.0168 0.0152
Echinococcus multilocularis neuropeptide receptor 0.007 0.0416 0.04
Brugia malayi ORL1-like opioid receptor 0.007 0.0416 0.0381
Onchocerca volvulus 0.007 0.0416 0.1962
Brugia malayi G protein-coupled receptor F59B2.13 0.007 0.0416 0.0381
Echinococcus granulosus g-protein coupled receptor 0.007 0.0416 0.04
Trypanosoma cruzi N-myristoyl transferase, putative 0.0178 0.1322 0.1181
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0063 0.036 0.0251
Toxoplasma gondii ABC1 family protein 0.016 0.117 0.1107
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 0.2291 0.2166
Loa Loa (eye worm) hypothetical protein 0.007 0.0416 0.0416
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0293 0.2291 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.016 0.117 0.1139
Loa Loa (eye worm) hypothetical protein 0.007 0.0416 0.0416
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0053 0.027 0.027
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.007 0.0416 0.04
Echinococcus granulosus rhodopsin orphan GPCR 0.007 0.0416 0.04
Mycobacterium ulcerans hypothetical protein 0.016 0.117 0.1267
Schistosoma mansoni amine GPCR 0.007 0.0416 0.0416
Echinococcus granulosus 7TM GPCR rhodopsin 0.007 0.0416 0.04
Schistosoma mansoni biogenic amine (dopamine) receptor 0.007 0.0416 0.0416
Onchocerca volvulus 0.007 0.0416 0.1962
Schistosoma mansoni rhodopsin-like orphan GPCR 0.007 0.0416 0.0416
Mycobacterium ulcerans beta-lactamase 0.016 0.117 0.1267
Brugia malayi N-myristoyltransferase 2 0.0178 0.1322 0.129
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.016 0.117 0.1267
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.007 0.0416 0.04
Schistosoma mansoni hypothetical protein 0.0328 0.2591 0.2591
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.007 0.0416 0.0381
Loa Loa (eye worm) hypothetical protein 0.007 0.0416 0.0416
Schistosoma mansoni jumonji domain containing protein 0.0076 0.0466 0.0466
Echinococcus multilocularis neuropeptide Y receptor 0.007 0.0416 0.04
Echinococcus multilocularis rhodopsin orphan GPCR 0.007 0.0416 0.04
Schistosoma mansoni opsin-like receptor 0.007 0.0416 0.0416
Onchocerca volvulus 0.007 0.0416 0.1962
Echinococcus granulosus histone acetyltransferase MYST2 0.006 0.0331 0.0316
Onchocerca volvulus 0.007 0.0416 0.1962
Loa Loa (eye worm) hypothetical protein 0.0038 0.015 0.015
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.006 0.0329 0.0314
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.016 0.117 0.117
Echinococcus multilocularis jumonji domain containing protein 0.0041 0.0168 0.0152
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0078 0.0006
Plasmodium vivax hypothetical protein, conserved 0.016 0.117 0.879
Echinococcus multilocularis G protein coupled receptor 139 0.007 0.0416 0.04
Loa Loa (eye worm) hypothetical protein 0.007 0.0416 0.0416
Echinococcus granulosus g protein coupled receptor 0.007 0.0416 0.04
Loa Loa (eye worm) hypothetical protein 0.0029 0.0072 0.0072
Brugia malayi hypothetical protein 0.007 0.0416 0.0381
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0029 0.0072 0.0072
Onchocerca volvulus 0.007 0.0416 0.1962
Loa Loa (eye worm) hypothetical protein 0.007 0.0416 0.0416
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.1209 1 1
Loa Loa (eye worm) hypothetical protein 0.007 0.0416 0.0416
Loa Loa (eye worm) hypothetical protein 0.007 0.0416 0.0416
Mycobacterium tuberculosis Class a beta-lactamase BlaC 0.0988 0.814 0.9666
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.0233 0.0197
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.006 0.0329 0.0314
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0078 0.0078
Echinococcus multilocularis rhodopsin orphan GPCR 0.007 0.0416 0.04
Echinococcus multilocularis orexin receptor type 2 0.007 0.0416 0.04
Trichomonas vaginalis D-aminoacylase, putative 0.016 0.117 0.1027
Mycobacterium leprae PROBABLE CONSERVED LIPOPROTEIN LPQF 0.0474 0.3817 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.004 0.016 0.0702
Echinococcus granulosus mitogen activated protein kinase 3 0.1209 1 1
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.1209 1 1
Brugia malayi Serotonin receptor 0.007 0.0416 0.0381
Echinococcus multilocularis G-protein coupled receptor, putative 0.007 0.0416 0.04
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.0334 0.0334
Brugia malayi putative neuropeptide receptor NPR1 0.007 0.0416 0.0381
Loa Loa (eye worm) hypothetical protein 0.007 0.0416 0.0416
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.1209 1 1
Onchocerca volvulus 0.016 0.117 0.6272
Echinococcus multilocularis rhodopsin orphan GPCR 0.007 0.0416 0.04
Onchocerca volvulus Neuropeptide F receptor homolog 0.007 0.0416 0.1962
Brugia malayi Pre-SET motif family protein 0.0208 0.1581 0.1551
Echinococcus multilocularis g-protein coupled receptor 0.007 0.0416 0.04
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.016 0.117 0.1224
Mycobacterium tuberculosis Probable esterase LipL 0.016 0.117 0.1224
Brugia malayi beta-lactamase family protein 0.016 0.117 0.1139
Brugia malayi neuropeptide F receptor 0.007 0.0416 0.0381
Brugia malayi exodeoxyribonuclease III family protein 0.004 0.016 0.0124
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0212 0.0212
Schistosoma mansoni peptide (allatostatin)-like receptor 0.007 0.0416 0.0416
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0212 0.0196
Loa Loa (eye worm) hypothetical protein 0.007 0.0416 0.0416
Onchocerca volvulus 0.007 0.0416 0.1962
Toxoplasma gondii exonuclease III APE 0.004 0.016 0.0088
Schistosoma mansoni rhodopsin-like orphan GPCR 0.007 0.0416 0.0416

Activities

Activity type Activity value Assay description Source Reference
Control (functional) = 95 % Effect of initial screen concentration of 100 microM on the growth of L1210 Murine Leukemia cells ChEMBL. 9057865
IC50 (functional) = 26 uM Visual cytotoxicity was scored on Human foreskin fibroblasts (HFF cells) at the time of plaque enumeration. ChEMBL. 9057865
IC50 (functional) = 80 uM In vitro inhibition of KB (human carcinoma) cell growth. ChEMBL. 9057865

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.