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

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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