Detailed information for compound 1141690

Basic information

Technical information
  • TDR Targets ID: 1141690
  • Name: (5R,6S)-3-(4-carbamoyldibenzofuran-2-yl)-6-(1 -hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept- 2-ene-2-carboxylic acid
  • MW: 406.388 | Formula: C22H18N2O6
  • H donors: 3 H acceptors: 5 LogP: 1.83 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C1=C(C[C@H]2N1C(=O)[C@@H]2[C@H](O)C)c1cc(C(=O)N)c2c(c1)c1ccccc1o2
  • InChi: 1S/C22H18N2O6/c1-9(25)17-15-8-12(18(22(28)29)24(15)21(17)27)10-6-13-11-4-2-3-5-16(11)30-19(13)14(7-10)20(23)26/h2-7,9,15,17,25H,8H2,1H3,(H2,23,26)(H,28,29)/t9-,15-,17-/m1/s1
  • InChiKey: NRKYQLCFIPIOPK-SWXJFYGISA-N  


Substructure search Similarity search

Network

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Synonyms

  • (5R,6S)-3-(4-carbamoyl-2-dibenzofuranyl)-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • (5R,6S)-3-(4-carbamoyldibenzofuran-2-yl)-6-(1-hydroxyethyl)-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • (5R,6S)-3-(4-aminocarbonyldibenzofuran-2-yl)-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic 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
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0038 0.0083 0.0083
Brugia malayi nuclear hormone receptor family member nhr-6 0.0037 0.0077 0.0077
Loa Loa (eye worm) hypothetical protein 0.0048 0.0123 0.0123
Brugia malayi Heterochromatin protein 1 0.0078 0.0246 0.0246
Echinococcus granulosus chromobox protein 1 0.0078 0.0246 0.0799
Brugia malayi nuclear receptor RXR 0.0041 0.0095 0.0095
Loa Loa (eye worm) hypothetical protein 0.0037 0.0077 0.0077
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.0084 0.0084
Brugia malayi Nuclear hormone receptor-like 1 0.0041 0.0095 0.0095
Schistosoma mansoni rotamase 0.0038 0.0083 0.0269
Schistosoma mansoni hypothetical protein 0.0386 0.1502 0.4874
Echinococcus multilocularis beta LACTamase domain containing family member 0.0041 0.0095 0.0135
Onchocerca volvulus Huntingtin homolog 0.0136 0.048 0.0415
Loa Loa (eye worm) hypothetical protein 0.0037 0.0077 0.0077
Loa Loa (eye worm) hypothetical protein 0.0053 0.0142 0.0142
Schistosoma mansoni nuclear hormone receptor 0.0037 0.0077 0.025
Giardia lamblia Fructose-bisphosphate aldolase 0.1645 0.663 0.6596
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0103 0.0348 0.0348
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0041 0.0095 0.0308
Loa Loa (eye worm) ICD-1 protein 0.0074 0.0227 0.0227
Brugia malayi serine/threonine-protein kinase plk-2 0.0103 0.0348 0.0348
Onchocerca volvulus Serine\/threonine kinase homolog 0.0103 0.0348 0.0283
Trichomonas vaginalis ap endonuclease, putative 0.0042 0.01 0.0046
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.1645 0.663 0.6612
Brugia malayi Pyruvate kinase, M2 isozyme 0.0112 0.0382 0.0382
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.1645 0.663 0.6612
Schistosoma mansoni thyroid hormone receptor 0.0078 0.0244 0.0791
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0078 0.0244 0.0791
Trypanosoma cruzi transcription factor btf3, putative 0.0074 0.0227 0.0502
Trypanosoma cruzi hypothetical protein, conserved 0.0762 0.3033 1
Echinococcus granulosus fetal alzheimer antigen falz 0.0025 0.0031 0.01
Brugia malayi nuclear receptor NHR-67 0.0037 0.0077 0.0077
Echinococcus granulosus beta LACTamase domain containing family member 0.0041 0.0095 0.0308
Brugia malayi Bromodomain containing protein 0.0084 0.0271 0.0271
Loa Loa (eye worm) hypothetical protein 0.0136 0.048 0.048
Schistosoma mansoni methyl-cpg binding protein mbd 0.0019 0.0006 0.0019
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0078 0.0244 0.0244
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0042 0.01 0.1132
Brugia malayi hypothetical protein 0.0037 0.0077 0.0077
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.004 0.0092 0.0299
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0078 0.0244 0.0791
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0037 0.0077 0.025
Onchocerca volvulus 0.2473 1 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0078 0.0244 0.0244
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0037 0.0077 0.0077
Leishmania major hypothetical protein, conserved 0.0041 0.0095 0.0053
Schistosoma mansoni aldehyde dehydrogenase 0.0066 0.0198 0.0644
Loa Loa (eye worm) hypothetical protein 0.0037 0.0077 0.0077
Entamoeba histolytica protein tyrosine phosphatase, putative 0.2473 1 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0066 0.0198 0.0152
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.2473 1 1
Brugia malayi Bromodomain containing protein 0.0043 0.0103 0.0103
Echinococcus granulosus Nuclear hormone receptor HR96 0.0037 0.0077 0.025
Schistosoma mansoni pyruvate kinase 0.0112 0.0382 0.1241
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.0095 0.0308
Trichomonas vaginalis conserved hypothetical protein 0.0074 0.0227 0.0174
Schistosoma mansoni chromobox protein 0.0078 0.0246 0.0799
Loa Loa (eye worm) hypothetical protein 0.0046 0.0114 0.0114
Brugia malayi ecdysteroid receptor 0.0078 0.0244 0.0244
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.0198 0.0104
Onchocerca volvulus Pyruvate kinase homolog 0.0112 0.0382 0.0317
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0025 0.0031 0.0044
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0078 0.0244 0.0177
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0037 0.0077 0.025
Loa Loa (eye worm) hypothetical protein 0.0078 0.0244 0.0244
Entamoeba histolytica transcription factor BTF3, putative 0.0074 0.0227 0.0149
Echinococcus multilocularis microtubule associated protein 2 0.0774 0.3081 0.4386
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0078 0.0244 0.0791
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0262 0.0994 0.1322
Loa Loa (eye worm) hypothetical protein 0.0041 0.0095 0.0095
Trichomonas vaginalis chromobox protein, putative 0.0047 0.012 0.0066
Entamoeba histolytica hypothetical protein 0.0154 0.0557 0.0481
Trichomonas vaginalis rotamase, putative 0.0037 0.0079 0.0025
Schistosoma mansoni transcription factor LCR-F1 0.0154 0.0557 0.1807
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0044 0.0106 0.0039
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0078 0.0244 0.0244
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0037 0.0077 0.0109
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0804 0.3202 0.4569
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0042 0.01 0.0021
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0056 0.0156 0.0156
Plasmodium vivax pyruvate kinase, putative 0.0112 0.0382 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0042 0.01 0.0143
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.1645 0.663 0.6612
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0042 0.01 0.0326
Loa Loa (eye worm) pyruvate kinase 0.0112 0.0382 0.0382
Brugia malayi tailless protein 0.0037 0.0077 0.0077
Trichomonas vaginalis chromobox protein, putative 0.0078 0.0246 0.0193
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0078 0.0244 0.0347
Loa Loa (eye worm) pyruvate kinase 0.0112 0.0382 0.0382
Echinococcus granulosus histone lysine methyltransferase setb 0.0053 0.0142 0.0462
Trichomonas vaginalis conserved hypothetical protein 0.0074 0.0227 0.0174
Treponema pallidum fructose-bisphosphate aldolase 0.1645 0.663 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0078 0.0244 0.0347
Brugia malayi pyruvate kinase 0.0023 0.0024 0.0024
Brugia malayi beta-lactamase 0.0041 0.0095 0.0095
Loa Loa (eye worm) hypothetical protein 0.0078 0.0244 0.0244
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.0095 0.0041
Trypanosoma cruzi polo-like protein kinase, putative 0.0103 0.0348 0.0912
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0046 0.0116 0.0378
Loa Loa (eye worm) hypothetical protein 0.0078 0.0244 0.0244
Loa Loa (eye worm) steroid hormone receptor 0.0078 0.0244 0.0244
Onchocerca volvulus 0.0046 0.0116 0.0049
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.0095 0.0308
Schistosoma mansoni methyl-cpg binding protein mbd 0.0019 0.0006 0.0019
Echinococcus granulosus pyruvate kinase 0.0057 0.0161 0.0523
Trichomonas vaginalis chromobox protein, putative 0.0078 0.0246 0.0193
Schistosoma mansoni serine/threonine protein kinase 0.0103 0.0348 0.1131
Brugia malayi hypothetical protein 0.0037 0.0077 0.0077
Trypanosoma cruzi pyruvate kinase 2, putative 0.0112 0.0382 0.1026
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0078 0.0244 0.0244
Echinococcus granulosus methyl CpG binding domain protein 2 0.0019 0.0006 0.0019
Loa Loa (eye worm) hypothetical protein 0.0056 0.0156 0.0156
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0083 0.0029
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0078 0.0244 0.0244
Trypanosoma brucei hypothetical protein, conserved 0.0041 0.0095 0.0053
Brugia malayi photoreceptor-specific nuclear receptor 0.0078 0.0244 0.0244
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0078 0.0244 0.0347
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0066 0.0198 0.0644
Brugia malayi Nuclear hormone receptor E75 0.0037 0.0077 0.0077
Echinococcus multilocularis pyruvate kinase 0.0057 0.0161 0.0229
Loa Loa (eye worm) hypothetical protein 0.0041 0.0095 0.0095
Loa Loa (eye worm) hypothetical protein 0.0037 0.0077 0.0077
Echinococcus multilocularis nuclear receptor nhr 48 0.0037 0.0077 0.0109
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0041 0.0095 0.0308
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0078 0.0244 0.0244
Echinococcus granulosus Nuclear hormone receptor HR96 0.0037 0.0077 0.025
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0078 0.0244 0.0244
Loa Loa (eye worm) hypothetical protein 0.0041 0.0095 0.0095
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0041 0.0095 0.0095
Echinococcus multilocularis pyruvate kinase 0.0057 0.0161 0.0229
Trypanosoma cruzi pyruvate kinase 2, putative 0.0112 0.0382 0.1026
Trichomonas vaginalis set domain proteins, putative 0.0266 0.101 0.0961
Echinococcus granulosus pyruvate kinase 0.0112 0.0382 0.1241
Onchocerca volvulus 0.0041 0.0095 0.0027
Loa Loa (eye worm) pyruvate kinase-PB 0.0078 0.0245 0.0245
Trichomonas vaginalis pyruvate kinase, putative 0.0112 0.0382 0.033
Onchocerca volvulus Protein ultraspiracle homolog 0.0078 0.0244 0.0177
Brugia malayi Calcitonin receptor-like protein seb-1 0.0056 0.0156 0.0156
Schistosoma mansoni hypothetical protein 0.0154 0.0557 0.1807
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0095 0.0053
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0053 0.0142 0.0462
Loa Loa (eye worm) hypothetical protein 0.0041 0.0095 0.0095
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0078 0.0244 0.0791
Onchocerca volvulus Pyruvate kinase homolog 0.0112 0.0382 0.0317
Toxoplasma gondii pyruvate kinase PyK1 0.0112 0.0382 1
Brugia malayi ecdysone receptor 0.0037 0.0077 0.0077
Echinococcus granulosus chromobox protein 1 0.0078 0.0246 0.0799
Loa Loa (eye worm) nuclear receptor NHR-67 0.0037 0.0077 0.0077
Toxoplasma gondii exonuclease III APE 0.0042 0.01 0.1132
Entamoeba histolytica hypothetical protein 0.0154 0.0557 0.0481
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0762 0.3033 0.2995
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0038 0.0083 0.0083
Entamoeba histolytica protein tyrosine phosphatase, putative 0.2473 1 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0042 0.01 0.0072
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.1645 0.663 0.6612
Schistosoma mansoni coup transcription factor 0.0078 0.0244 0.0791
Echinococcus multilocularis pyruvate kinase 0.0112 0.0382 0.0544
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0066 0.0198 0.0403
Loa Loa (eye worm) hypothetical protein 0.0079 0.0251 0.0251
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0095 0.0053
Giardia lamblia Pyruvate kinase 0.0112 0.0382 0.0285
Trichomonas vaginalis CAMK family protein kinase 0.0103 0.0348 0.0296
Leishmania major hypothetical protein, conserved 0.0762 0.3033 1
Trichomonas vaginalis CAMK family protein kinase 0.0103 0.0348 0.0296
Brugia malayi steroid hormone receptor 0.0078 0.0244 0.0244
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0041 0.0095 0.0095
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0078 0.0244 0.0791
Loa Loa (eye worm) bromodomain containing protein 0.002 0.0009 0.0009
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0095 0.0041
Brugia malayi Pre-SET motif family protein 0.0033 0.0064 0.0064
Echinococcus granulosus FTZ F1 alpha 0.0078 0.0244 0.0791
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0078 0.0244 0.0791
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0078 0.0244 0.0791
Schistosoma mansoni nuclear receptor 0.0037 0.0077 0.025
Loa Loa (eye worm) hypothetical protein 0.0041 0.0095 0.0095
Brugia malayi nuclear receptor NHR-88 0.0078 0.0244 0.0244
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0033 0.0064 0.0092
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0804 0.3202 0.3137
Onchocerca volvulus 0.0037 0.0077 0.0009
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0078 0.0244 0.0244
Loa Loa (eye worm) nuclear hormone receptor 0.0037 0.0077 0.0077
Brugia malayi nuclear receptor RXR 0.0037 0.0077 0.0077
Loa Loa (eye worm) hypothetical protein 0.0037 0.0077 0.0077
Schistosoma mansoni nuclear receptor nhr-48 0.0037 0.0077 0.025
Onchocerca volvulus 0.0041 0.0095 0.0027
Echinococcus multilocularis zinc finger protein 0.0022 0.0017 0.0025
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0154 0.0557 0.0793
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0078 0.0244 0.0244
Loa Loa (eye worm) MH2 domain-containing protein 0.0134 0.0473 0.0473
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0103 0.0348 0.1131
Loa Loa (eye worm) PHD-finger family protein 0.0023 0.0022 0.0022
Toxoplasma gondii NAC domain-containing protein 0.0074 0.0227 0.513
Trichomonas vaginalis esterase, putative 0.0041 0.0095 0.0041
Schistosoma mansoni pyruvate kinase 0.0057 0.0161 0.0523
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.1742 0.7024 1
Brugia malayi hypothetical protein 0.0041 0.0095 0.0095
Entamoeba histolytica pyruvate kinase, putative 0.0078 0.0245 0.0167
Schistosoma mansoni zinc finger protein 0.0022 0.0017 0.0056
Echinococcus granulosus microtubule associated protein 2 0.0774 0.3081 1
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0037 0.0077 0.0109
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0078 0.0244 0.0791
Loa Loa (eye worm) hypothetical protein 0.0078 0.0244 0.0244
Toxoplasma gondii aldehyde dehydrogenase 0.0066 0.0198 0.4214
Brugia malayi orphan nuclear receptor NR2E1 0.0037 0.0077 0.0077
Loa Loa (eye worm) hypothetical protein 0.0078 0.0244 0.0244
Schistosoma mansoni hypothetical protein 0.0038 0.0084 0.0271
Brugia malayi Steroid receptor seven-up type 2 0.0078 0.0244 0.0244
Trichomonas vaginalis chromobox protein, putative 0.0047 0.012 0.0066
Loa Loa (eye worm) hypothetical protein 0.0037 0.0077 0.0077
Brugia malayi chromobox protein homolog 3 0.0044 0.0106 0.0106
Brugia malayi nuclear hormone receptor 0.0078 0.0244 0.0244
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.2473 1 1
Plasmodium falciparum pyruvate kinase 0.0112 0.0382 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.004 0.0092 0.0131
Echinococcus multilocularis pyruvate kinase 0.0112 0.0382 0.0544
Echinococcus multilocularis transcription factor btf3 0.0074 0.0227 0.0324
Echinococcus multilocularis expressed protein 0.0038 0.0083 0.0118
Echinococcus granulosus geminin 0.0386 0.1502 0.4874
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.2473 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0044 0.0106 0.0052
Loa Loa (eye worm) hypothetical protein 0.0044 0.0106 0.0106
Brugia malayi Nuclear hormone receptor-like 1 0.0041 0.0095 0.0095
Echinococcus multilocularis chromobox protein 1 0.0078 0.0246 0.0351
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0804 0.3202 1
Brugia malayi beta-lactamase family protein 0.0041 0.0095 0.0095
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0078 0.0244 0.0347
Loa Loa (eye worm) hypothetical protein 0.0038 0.0084 0.0084
Brugia malayi beta-NAC-like protein 0.0074 0.0227 0.0227
Loa Loa (eye worm) hypothetical protein 0.0041 0.0095 0.0095
Giardia lamblia Pyruvate kinase 0.0057 0.0161 0.0061
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0078 0.0244 0.0791
Trichomonas vaginalis ap endonuclease, putative 0.0042 0.01 0.0046
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0042 0.01 0.5
Giardia lamblia Kinase, PLK 0.0103 0.0348 0.0251
Schistosoma mansoni retinoic acid receptor RXR 0.0078 0.0244 0.0791
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0053 0.0142 0.0203
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0103 0.0348 0.0912
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0042 0.01 0.0006
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0078 0.0244 0.0244
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.012 0.0052
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.1645 0.663 0.6612
Entamoeba histolytica serine/threonine protein kinase, putative 0.0103 0.0348 0.0272
Schistosoma mansoni aldehyde dehydrogenase 0.0066 0.0198 0.0644
Schistosoma mansoni kinase 0.0052 0.0142 0.046
Loa Loa (eye worm) hypothetical protein 0.0037 0.0077 0.0077
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0078 0.0244 0.0244
Onchocerca volvulus 0.0078 0.0244 0.0177
Loa Loa (eye worm) DR-78 0.0037 0.0077 0.0077
Plasmodium falciparum pyruvate kinase 2 0.0057 0.0161 0.2156
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0041 0.0095 0.0135
Echinococcus multilocularis ecdysone induced protein 78C 0.0078 0.0244 0.0347
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.2473 1 1
Echinococcus multilocularis FTZ F1 alpha 0.0078 0.0244 0.0347
Schistosoma mansoni transcription factor btf3 0.0074 0.0227 0.0738
Loa Loa (eye worm) hypothetical protein 0.0037 0.0077 0.0077
Brugia malayi hypothetical protein 0.0154 0.0557 0.0557
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0078 0.0244 0.0347
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0064 0.0209
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0078 0.0244 0.0244
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0078 0.0244 0.0244
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0037 0.0077 0.025
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0078 0.0244 0.0791
Echinococcus granulosus pyruvate kinase 0.0112 0.0382 0.1241
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0037 0.0077 0.0109
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0233 0.0879 0.0879
Echinococcus granulosus nuclear receptor nhr 48 0.0037 0.0077 0.025
Entamoeba histolytica hypothetical protein 0.0074 0.0227 0.0149
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0078 0.0244 0.0244
Echinococcus multilocularis thyroid hormone receptor alpha 0.0078 0.0244 0.0347
Schistosoma mansoni nuclear hormone receptor 0.0078 0.0244 0.0791
Loa Loa (eye worm) hypothetical protein 0.0041 0.0095 0.0095
Schistosoma mansoni ap endonuclease 0.0042 0.01 0.0326
Schistosoma mansoni chromobox protein 0.0078 0.0246 0.0799
Echinococcus granulosus pyruvate kinase 0.0057 0.0161 0.0523
Echinococcus multilocularis geminin 0.0386 0.1502 0.2138
Trichomonas vaginalis conserved hypothetical protein 0.0074 0.0227 0.0174
Loa Loa (eye worm) hypothetical protein 0.0041 0.0095 0.0095
Brugia malayi nuclear receptor NHR-88 0.0037 0.0077 0.0077
Schistosoma mansoni zinc finger protein 0.0037 0.0077 0.025
Loa Loa (eye worm) hypothetical protein 0.0037 0.0077 0.0077
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0078 0.0244 0.0791
Trypanosoma cruzi hypothetical protein, conserved 0.0762 0.3033 1
Trichomonas vaginalis CAMK family protein kinase 0.0103 0.0348 0.0296
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.1645 0.663 0.6612
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.0095 0.0041
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0032 0.0059 0.0193
Trichomonas vaginalis CAMK family protein kinase 0.0103 0.0348 0.0296
Loa Loa (eye worm) hypothetical protein 0.0078 0.0244 0.0244
Brugia malayi Nuclear hormone receptor-like 1 0.0078 0.0244 0.0244
Mycobacterium leprae Probable pyruvate kinase PykA 0.0112 0.0382 0.0925
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.1645 0.663 0.6603
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.2473 1 1
Onchocerca volvulus Pyruvate kinase homolog 0.0112 0.0382 0.0317
Mycobacterium ulcerans pyruvate kinase 0.0112 0.0382 0.029
Loa Loa (eye worm) hypothetical protein 0.0037 0.0077 0.0077
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0078 0.0244 0.0244
Toxoplasma gondii peptidylprolyl isomerase 0.0037 0.0079 0.0465
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0078 0.0244 0.0244
Schistosoma mansoni pyruvate kinase 0.0112 0.0382 0.1241
Schistosoma mansoni hypothetical protein 0.0386 0.1502 0.4874
Leishmania major pyruvate kinase 0.0112 0.0382 0.1026
Toxoplasma gondii pyruvate kinase PyKII 0.0057 0.0161 0.3044
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0078 0.0244 0.0244
Brugia malayi beta-lactamase family protein 0.0041 0.0095 0.0095
Trypanosoma brucei pyruvate kinase 1 0.0112 0.0382 0.1026
Echinococcus granulosus pyruvate kinase 0.0057 0.0161 0.0523
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0095 0.0041
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0056 0.0156 0.0156
Leishmania major basic transcription factor 3a, putative 0.0074 0.0227 0.0502
Trypanosoma brucei transcription factor BTF3, putative 0.0074 0.0227 0.0502
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0078 0.0244 0.0244
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0053 0.0142 0.0462
Schistosoma mansoni RAR-like nuclear receptor 0.0078 0.0244 0.0791
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0037 0.0077 0.0009
Brugia malayi MH2 domain containing protein 0.0134 0.0473 0.0473
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.1645 0.663 0.6612
Plasmodium vivax pyruvate kinase 2, putative 0.0057 0.0161 0.3044
Loa Loa (eye worm) heterochromatin protein 1 0.0078 0.0246 0.0246
Schistosoma mansoni steroid hormone receptor ad4bp 0.0078 0.0244 0.0791
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0037 0.0077 0.0109
Loa Loa (eye worm) hypothetical protein 0.0078 0.0245 0.0245
Trypanosoma brucei polo-like protein kinase 0.0103 0.0348 0.0912
Echinococcus multilocularis pyruvate kinase 0.0057 0.0161 0.0229
Loa Loa (eye worm) hypothetical protein 0.0034 0.0068 0.0068
Trichomonas vaginalis CAMK family protein kinase 0.0103 0.0348 0.0296
Echinococcus multilocularis chromobox protein 1 0.0078 0.0246 0.0351
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0078 0.0244 0.0791
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0037 0.0077 0.0009
Trichomonas vaginalis rotamase, putative 0.0038 0.0083 0.0029
Loa Loa (eye worm) hypothetical protein 0.0136 0.048 0.048
Loa Loa (eye worm) hypothetical protein 0.0041 0.0095 0.0095
Loa Loa (eye worm) hypothetical protein 0.0078 0.0244 0.0244
Loa Loa (eye worm) hypothetical protein 0.0041 0.0095 0.0095
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0154 0.0557 0.1807
Brugia malayi hypothetical protein 0.0136 0.048 0.048
Schistosoma mansoni thyroid hormone receptor 0.0078 0.0244 0.0791
Brugia malayi nuclear hormone receptor family member odr-7 0.0037 0.0077 0.0077
Trichomonas vaginalis conserved hypothetical protein 0.0044 0.0106 0.0052
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.1645 0.663 0.6612
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0103 0.0348 0.0496
Echinococcus multilocularis pyruvate kinase 0.0088 0.0286 0.0408
Trichomonas vaginalis CAMK family protein kinase 0.0051 0.0136 0.0082
Brugia malayi Pre-SET motif family protein 0.0233 0.0879 0.0879
Trichomonas vaginalis CAMK family protein kinase 0.0103 0.0348 0.0296
Echinococcus granulosus ecdysone induced protein 78C 0.0078 0.0244 0.0791
Brugia malayi hypothetical protein 0.0041 0.0095 0.0095
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.1645 0.663 0.6603
Brugia malayi PHD-finger family protein 0.0028 0.0042 0.0042
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.0198 0.0104
Chlamydia trachomatis pyruvate kinase 0.0112 0.0382 0.5
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0025 0.0031 0.01
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0041 0.0095 0.0308
Brugia malayi nuclear hormone receptor 0.0037 0.0077 0.0077
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.2473 1 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0066 0.0198 0.0282
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.171 0.6895 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0067 0.0201 0.0286
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0078 0.0244 0.0244
Brugia malayi Nuclear hormone receptor E75 0.0037 0.0077 0.0077
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0078 0.0244 0.0791
Schistosoma mansoni ap endonuclease 0.0042 0.01 0.0326
Toxoplasma gondii ABC1 family protein 0.0041 0.0095 0.096
Schistosoma mansoni hypothetical protein 0.0023 0.0022 0.0072
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0042 0.01 0.01
Loa Loa (eye worm) pyruvate kinase 0.0112 0.0382 0.0382
Trichomonas vaginalis CAMK family protein kinase 0.0051 0.0136 0.0082
Plasmodium vivax hypothetical protein, conserved 0.0041 0.0095 0.096
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.2473 1 1
Entamoeba histolytica hypothetical protein 0.0154 0.0557 0.0481
Echinococcus granulosus thyroid hormone receptor alpha 0.0037 0.0077 0.025
Loa Loa (eye worm) hypothetical protein 0.0078 0.0244 0.0244
Brugia malayi pyruvate kinase, muscle isozyme 0.0023 0.0024 0.0024
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0078 0.0244 0.0244
Leishmania major pyruvate kinase 0.0112 0.0382 0.1026
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0037 0.0077 0.0109
Trichomonas vaginalis CAMK family protein kinase 0.0103 0.0348 0.0296
Trypanosoma cruzi transcription factor btf3, putative 0.0074 0.0227 0.0502
Schistosoma mansoni nuclear receptor 0.0037 0.0077 0.025
Loa Loa (eye worm) hypothetical protein 0.0037 0.0077 0.0077
Brugia malayi Pyruvate kinase, alpha/beta domain containing protein 0.0034 0.0065 0.0065
Loa Loa (eye worm) hypothetical protein 0.0037 0.0077 0.0077
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0041 0.0095 0.0095
Loa Loa (eye worm) transcription factor SMAD2 0.0134 0.0473 0.0473
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0078 0.0244 0.0347
Trypanosoma cruzi polo-like protein kinase, putative 0.0103 0.0348 0.0912
Trypanosoma brucei pyruvate kinase 1, putative 0.0112 0.0382 0.1026
Onchocerca volvulus Bile acid receptor homolog 0.0078 0.0244 0.0177
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0112 0.0382 0.0423
Echinococcus granulosus zinc finger protein 0.0022 0.0017 0.0056
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0095 0.0041
Onchocerca volvulus 0.0266 0.101 0.0949
Loa Loa (eye worm) hypothetical protein 0.0041 0.0095 0.0095
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.2473 1 1
Loa Loa (eye worm) pyruvate kinase 0.0023 0.0024 0.0024
Schistosoma mansoni microtubule-associated protein tau 0.0774 0.3081 1
Loa Loa (eye worm) hypothetical protein 0.0112 0.0382 0.0382
Echinococcus granulosus transcription factor btf3 0.0074 0.0227 0.0738
Onchocerca volvulus 0.0041 0.0095 0.0027
Schistosoma mansoni nuclear hormone receptor 0.0037 0.0077 0.025
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.0198 0.0104
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.0762 0.3033 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0042 0.01 0.0072
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0037 0.0077 0.0077
Entamoeba histolytica hypothetical protein 0.0154 0.0557 0.0481
Loa Loa (eye worm) hypothetical protein 0.0043 0.0103 0.0103
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0037 0.0077 0.025
Onchocerca volvulus Huntingtin homolog 0.0136 0.048 0.0415
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0042 0.01 0.0072
Brugia malayi exodeoxyribonuclease III family protein 0.0042 0.01 0.01
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.2473 1 1
Plasmodium falciparum basic transcription factor 3b, putative 0.0074 0.0227 0.4508
Echinococcus granulosus expressed protein 0.0038 0.0083 0.0269
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0762 0.3033 0.2995
Brugia malayi conserved hypotetical protein 0.0037 0.0077 0.0077
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0042 0.01 0.0008
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0019 0.0006 0.0008
Brugia malayi Pyruvate kinase, muscle isozyme 0.0112 0.0382 0.0382
Trichomonas vaginalis pyruvate kinase, putative 0.0112 0.0382 0.033
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0042 0.01 0.0072
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0067 0.0201 0.0651
Loa Loa (eye worm) hypothetical protein 0.0037 0.0077 0.0077
Loa Loa (eye worm) beta-lactamase 0.0041 0.0095 0.0095
Plasmodium vivax basic transcription factor 3b, putative 0.0074 0.0227 0.513
Schistosoma mansoni bromodomain containing protein 0.0071 0.0217 0.0705
Onchocerca volvulus 0.0037 0.0077 0.0009

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 0.55 mg kg-1 Effective dose against S. aureus MB2985 (methicillin-susceptible) in mouse systemic infection model ChEMBL. 10571158
MIC (functional) = 0.031 ug ml-1 In vivo inhibitory activity against S. aureus MB2985 (methicillin-susceptible) in mouse systemic infection model ChEMBL. 10571158
PB (functional) = 95 % Compound was evaluated in vivo for percent binding to human albumin fraction V. ChEMBL. 10571158
Plasma MIC (functional) = 1 ug ml-1 Compound was evaluated in vivo for plasma MIC in presence of human albumin fraction V (21.5 mg/mL) ChEMBL. 10571158

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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