Detailed information for compound 761221

Basic information

Technical information
  • TDR Targets ID: 761221
  • Name: 3-methyl-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-y l)phenyl]butanamide
  • MW: 295.336 | Formula: C17H17N3O2
  • H donors: 1 H acceptors: 3 LogP: 3.13 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(CC(=O)Nc1cccc(c1)c1oc2c(n1)nccc2)C
  • InChi: 1S/C17H17N3O2/c1-11(2)9-15(21)19-13-6-3-5-12(10-13)17-20-16-14(22-17)7-4-8-18-16/h3-8,10-11H,9H2,1-2H3,(H,19,21)
  • InChiKey: RONBSLWCJWUAAG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-methyl-N-(3-oxazolo[4,5-b]pyridin-2-ylphenyl)butanamide
  • 3-methyl-N-[3-(2-oxazolo[4,5-b]pyridinyl)phenyl]butanamide
  • 3-methyl-N-(3-oxazolo[4,5-b]pyridin-2-ylphenyl)butyramide
  • EU-0011231
  • ZINC00072520
  • Oprea1_365930
  • STK184435

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0079 0.0423 0.0735
Schistosoma mansoni thyroid hormone receptor 0.0273 0.206 0.3611
Toxoplasma gondii LsmAD domain-containing protein 0.0103 0.0624 0.5853
Brugia malayi hypothetical protein 0.0079 0.0427 0.0482
Toxoplasma gondii thioredoxin reductase 0.0075 0.0387 0.3594
Mycobacterium tuberculosis Probable dehydrogenase 0.017 0.1193 0.2228
Brugia malayi MH2 domain containing protein 0.0736 0.5962 0.6806
Brugia malayi CHE-14 protein 0.0049 0.0169 0.0188
Leishmania major hypothetical protein, conserved 0.0079 0.0423 0.1685
Schistosoma mansoni hypothetical protein 0.0494 0.3922 0.6883
Brugia malayi jmjC domain containing protein 0.0049 0.0173 0.0193
Echinococcus granulosus tumor protein p63 0.0679 0.5478 0.9616
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.032 0.2455 0.2803
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0079 0.0427 0.0742
Mycobacterium tuberculosis Probable reductase 0.017 0.1193 0.2228
Schistosoma mansoni methyl-cpg binding protein mbd 0.0087 0.0487 0.0848
Trypanosoma brucei trypanothione reductase 0.0075 0.0387 0.152
Schistosoma mansoni hypothetical protein 0.0321 0.2461 0.4315
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0087 0.0487 0.0848
Onchocerca volvulus 0.0058 0.0249 0.0245
Echinococcus granulosus methyl CpG binding domain protein 2 0.0087 0.0487 0.0848
Plasmodium vivax ataxin-2 like protein, putative 0.0103 0.0624 0.5853
Schistosoma mansoni TGF-beta signal transducer Smad2 0.005 0.0181 0.0309
Toxoplasma gondii hypothetical protein 0.0047 0.0156 0.1388
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0154 0.1058 1
Loa Loa (eye worm) hypothetical protein 0.0141 0.095 0.1085
Schistosoma mansoni hypothetical protein 0.0145 0.0981 0.1716
Brugia malayi PHD-finger family protein 0.013 0.085 0.0966
Brugia malayi Niemann-Pick C1 protein precursor 0.0114 0.0716 0.0813
Schistosoma mansoni tar DNA-binding protein 0.032 0.2455 0.4305
Echinococcus granulosus mothers against decapentaplegic 5 0.005 0.0181 0.0309
Onchocerca volvulus Heterochromatin protein 1 homolog 0.004 0.0098 0.0093
Echinococcus granulosus Niemann Pick C1 protein 0.0162 0.1127 0.1972
Onchocerca volvulus 0.0166 0.1157 0.1153
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0208 0.151 0.2645
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0053 0.0203 0.0198
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0115 0.0731 0.1276
Echinococcus multilocularis SAM and MBT domain containing protein 0.0053 0.0203 0.0348
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0098 0.0041
Brugia malayi mbt repeat family protein 0.0053 0.0203 0.0226
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0166 0.1157 0.2025
Echinococcus multilocularis jumonji domain containing protein 0.0042 0.011 0.0185
Loa Loa (eye worm) heterochromatin protein 1 0.0072 0.0364 0.0416
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0145 0.0981 0.1116
Echinococcus multilocularis thioredoxin glutathione reductase 0.0076 0.0396 0.0687
Loa Loa (eye worm) RNA binding protein 0.032 0.2455 0.2803
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0118 0.0749 0.1308
Brugia malayi RNA recognition motif domain containing protein 0.032 0.2455 0.2799
Brugia malayi Pre-SET motif family protein 0.1068 0.8758 1
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0114 0.0716 1
Loa Loa (eye worm) hypothetical protein 0.0079 0.0423 0.0483
Trichomonas vaginalis chromobox protein, putative 0.0043 0.0124 0.0067
Loa Loa (eye worm) intermediate filament protein 0.0029 0.0005 0.0005
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0079 0.0423 0.0483
Mycobacterium tuberculosis Probable oxidoreductase 0.0189 0.1353 0.267
Loa Loa (eye worm) hypothetical protein 0.0079 0.0423 0.0483
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0154 0.1058 0.185
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0079 0.0423 0.0099
Onchocerca volvulus 0.0079 0.0423 0.0418
Loa Loa (eye worm) hypothetical protein 0.0079 0.0423 0.0483
Schistosoma mansoni smad 0.005 0.0181 0.0309
Trichomonas vaginalis D-aminoacylase, putative 0.0079 0.0423 0.0368
Mycobacterium tuberculosis Conserved protein 0.0079 0.0423 0.0099
Schistosoma mansoni tar DNA-binding protein 0.032 0.2455 0.4305
Loa Loa (eye worm) hypothetical protein 0.0141 0.095 0.1085
Echinococcus granulosus histone acetyltransferase MYST2 0.006 0.0264 0.0456
Trichomonas vaginalis penicillin-binding protein, putative 0.0079 0.0423 0.0368
Brugia malayi RNA binding protein 0.032 0.2455 0.2799
Mycobacterium tuberculosis Probable lipase LipE 0.0079 0.0423 0.0099
Schistosoma mansoni cpg binding protein 0.0057 0.0236 0.0406
Plasmodium falciparum glutathione reductase 0.0075 0.0387 0.614
Echinococcus multilocularis sterol regulatory element binding protein 0.0049 0.0169 0.0289
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0182 0.1294 0.2266
Loa Loa (eye worm) hypothetical protein 0.0207 0.15 0.1713
Brugia malayi MH2 domain containing protein 0.005 0.0181 0.0201
Echinococcus granulosus expressed conserved protein 0.0107 0.0658 0.1148
Brugia malayi Smad1 0.005 0.0181 0.0201
Entamoeba histolytica hypothetical protein 0.0079 0.0427 0.5608
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.006 0.0264 0.0296
Loa Loa (eye worm) hypothetical protein 0.0145 0.0981 0.112
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0041 0.0105 0.0222
Schistosoma mansoni smad1 5 8 and 0.005 0.0181 0.0309
Leishmania major hypothetical protein, conserved 0.0078 0.0412 0.1636
Trichomonas vaginalis chromobox protein, putative 0.0072 0.0364 0.0309
Brugia malayi Bromodomain containing protein 0.0384 0.2992 0.3413
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0079 0.0423 0.0735
Schistosoma mansoni smad1 5 8 and 0.005 0.0181 0.0309
Schistosoma mansoni tar DNA-binding protein 0.032 0.2455 0.4305
Echinococcus granulosus Niemann Pick C1 protein 0.0114 0.0716 0.125
Echinococcus multilocularis GPCR, family 2 0.0145 0.0981 0.1716
Schistosoma mansoni alpha-glucosidase 0.0138 0.0918 0.1606
Echinococcus multilocularis protein patched 0.0049 0.0169 0.0289
Schistosoma mansoni cpg binding protein 0.007 0.0345 0.0597
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0459 0.3624 0.4135
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0139 0.0927 0.4007
Echinococcus multilocularis beta LACTamase domain containing family member 0.0079 0.0423 0.0735
Schistosoma mansoni myelin transcription factor 1 myt1 0.006 0.0264 0.0456
Trichomonas vaginalis set domain proteins, putative 0.1215 1 1
Echinococcus granulosus chromobox protein 1 0.0072 0.0364 0.0632
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0046 0.0146 0.0249
Echinococcus multilocularis cpg binding protein 0.007 0.0345 0.0597
Echinococcus multilocularis mothers against decapentaplegic 5 0.005 0.0181 0.0309
Trypanosoma brucei PAB1-binding protein , putative 0.0103 0.0624 0.261
Schistosoma mansoni smad1 5 8 and 0.005 0.0181 0.0309
Echinococcus multilocularis Niemann Pick C1 protein 0.0114 0.0716 0.125
Trichomonas vaginalis D-aminoacylase, putative 0.0079 0.0423 0.0368
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0145 0.0981 0.1716
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0049 0.0169 0.0193
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.005 0.0181 0.0572
Onchocerca volvulus 0.0079 0.0423 0.0418
Schistosoma mansoni zinc finger protein 0.0103 0.0622 0.1085
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.2165 0.3796
Echinococcus granulosus beta LACTamase domain containing family member 0.0079 0.0423 0.0735
Echinococcus multilocularis peregrin 0.0042 0.0112 0.0189
Echinococcus multilocularis microtubule associated protein 2 0.0704 0.5696 1
Loa Loa (eye worm) hypothetical protein 0.0359 0.2782 0.3177
Schistosoma mansoni hypothetical protein 0.0253 0.1889 0.3311
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0053 0.0203 0.0348
Echinococcus granulosus polycomb protein SCMH1 0.0053 0.0203 0.0348
Mycobacterium tuberculosis Conserved hypothetical protein 0.0154 0.1059 0.1856
Entamoeba histolytica hypothetical protein 0.0079 0.0427 0.5608
Brugia malayi beta-lactamase family protein 0.0079 0.0423 0.0478
Trypanosoma cruzi PAB1-binding protein , putative 0.0103 0.0624 0.261
Trypanosoma brucei hypothetical protein, conserved 0.0079 0.0423 0.1685
Echinococcus granulosus dnaJ subfamily B 0.0494 0.3922 0.6883
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0145 0.0981 0.1716
Echinococcus multilocularis chromobox protein 1 0.0072 0.0364 0.0632
Plasmodium falciparum ataxin-2 like protein, putative 0.0103 0.0624 1
Mycobacterium tuberculosis Conserved protein 0.0079 0.0423 0.0099
Brugia malayi hypothetical protein 0.0286 0.2165 0.2468
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0139 0.0927 0.4007
Loa Loa (eye worm) hypothetical protein 0.004 0.0098 0.0112
Schistosoma mansoni survival motor neuron protein 0.0058 0.0249 0.0429
Loa Loa (eye worm) PHD-finger family protein 0.003 0.0011 0.0012
Echinococcus multilocularis thyroid hormone receptor alpha 0.0273 0.206 0.3611
Trypanosoma cruzi ISWI complex protein 0.0078 0.0412 0.1636
Schistosoma mansoni alpha glucosidase 0.0035 0.0057 0.0092
Echinococcus granulosus SAM and MBT domain containing protein 0.0053 0.0203 0.0348
Echinococcus granulosus tar DNA binding protein 0.032 0.2455 0.4305
Trypanosoma cruzi hypothetical protein, conserved 0.0079 0.0423 0.1685
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0041 0.0105 0.0222
Echinococcus granulosus microtubule associated protein 2 0.0704 0.5696 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.017 0.1193 0.8279
Loa Loa (eye worm) hypothetical protein 0.0079 0.0423 0.0483
Mycobacterium tuberculosis Probable hydrolase 0.0079 0.0423 0.0099
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0241 0.1787 0.3132
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0098 0.0587 0.1023
Echinococcus granulosus cpg binding protein 0.007 0.0345 0.0597
Echinococcus granulosus peregrin 0.0042 0.0112 0.0189
Echinococcus multilocularis Niemann Pick C1 protein 0.0162 0.1127 0.1972
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0154 0.1058 0.185
Trichomonas vaginalis conserved hypothetical protein 0.0049 0.0169 0.0113
Echinococcus multilocularis chromobox protein 1 0.0072 0.0364 0.0632
Loa Loa (eye worm) transcription factor SMAD2 0.0736 0.5962 0.6807
Trypanosoma cruzi ISWI complex protein 0.0078 0.0412 0.1636
Loa Loa (eye worm) hypothetical protein 0.0195 0.1399 0.1597
Leishmania major mitochondrial DNA polymerase beta 0.0293 0.2228 1
Onchocerca volvulus 0.0057 0.0236 0.0231
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0147 0.1 0.1749
Echinococcus multilocularis lysosomal alpha glucosidase 0.016 0.1106 0.1935
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0249 0.0279
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.006 0.0264 0.0456
Schistosoma mansoni hypothetical protein 0.0047 0.0154 0.0263
Schistosoma mansoni thyroid hormone receptor 0.0273 0.206 0.3611
Brugia malayi MH2 domain containing protein 0.005 0.0181 0.0201
Loa Loa (eye worm) TAR-binding protein 0.032 0.2455 0.2803
Echinococcus granulosus fetal alzheimer antigen falz 0.0118 0.0749 0.1308
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0046 0.0146 0.0249
Echinococcus multilocularis PHD finger protein rhinoceros 0.003 0.0011 0.0011
Mycobacterium tuberculosis Conserved protein 0.0079 0.0423 0.0099
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0208 0.151 0.2645
Schistosoma mansoni hypothetical protein 0.0047 0.0154 0.0263
Loa Loa (eye worm) hypothetical protein 0.006 0.0262 0.0299
Entamoeba histolytica hypothetical protein 0.0079 0.0427 0.5608
Loa Loa (eye worm) hypothetical protein 0.0053 0.0203 0.0231
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.017 0.1193 0.2228
Echinococcus granulosus zinc finger protein 0.0103 0.0622 0.1085
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0079 0.0423 0.0099
Loa Loa (eye worm) MBCTL1 0.006 0.0264 0.0301
Brugia malayi beta-lactamase family protein 0.0079 0.0423 0.0478
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.016 0.1106 0.1263
Brugia malayi Latrophilin receptor protein 2 0.0145 0.0981 0.1116
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0043 0.0124 0.0119
Loa Loa (eye worm) hypothetical protein 0.0099 0.0595 0.0679
Plasmodium vivax glutathione reductase, putative 0.0075 0.0387 0.3594
Schistosoma mansoni tar DNA-binding protein 0.032 0.2455 0.4305
Brugia malayi Pre-SET motif family protein 0.0154 0.1058 0.1203
Echinococcus granulosus TGF beta signal transducer SmadC 0.005 0.0181 0.0309
Leishmania major hypothetical protein, conserved 0.0103 0.0624 0.261
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0306 0.2338 0.41
Brugia malayi hypothetical protein 0.0066 0.0317 0.0357
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0253 0.1889 0.3311
Trypanosoma brucei ISWI complex protein 0.0078 0.0412 0.1636
Onchocerca volvulus 0.0032 0.0024 0.002
Loa Loa (eye worm) jmjC domain-containing protein 0.0062 0.028 0.032
Echinococcus multilocularis lysosomal alpha glucosidase 0.016 0.1106 0.1935
Echinococcus multilocularis Smad4 0.005 0.0181 0.0309
Onchocerca volvulus 0.0099 0.0595 0.0591
Echinococcus multilocularis neutral alpha glucosidase AB 0.0035 0.0057 0.0092
Loa Loa (eye worm) hypothetical protein 0.0032 0.0024 0.0028
Schistosoma mansoni hypothetical protein 0.0046 0.0146 0.0249
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0145 0.0981 0.1716
Brugia malayi Heterochromatin protein 1 0.0072 0.0364 0.0411
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0079 0.0427 0.0742
Schistosoma mansoni tar DNA-binding protein 0.032 0.2455 0.4305
Echinococcus multilocularis tar DNA binding protein 0.032 0.2455 0.4305
Loa Loa (eye worm) beta-lactamase 0.0079 0.0423 0.0483
Loa Loa (eye worm) hypothetical protein 0.0079 0.0423 0.0483
Brugia malayi PHD-finger family protein 0.003 0.0011 0.0007
Brugia malayi CXXC zinc finger family protein 0.0057 0.0236 0.0264
Schistosoma mansoni hypothetical protein 0.0058 0.0249 0.0429
Entamoeba histolytica hypothetical protein 0.0079 0.0427 0.5608
Echinococcus multilocularis histone acetyltransferase MYST2 0.006 0.0264 0.0456
Brugia malayi chromobox protein homolog 3 0.004 0.0098 0.0106
Plasmodium falciparum ataxin-2 like protein, putative 0.0103 0.0624 1
Loa Loa (eye worm) hypothetical protein 0.0114 0.0716 0.0818
Loa Loa (eye worm) CXXC zinc finger family protein 0.0057 0.0236 0.0269
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0241 0.1787 0.3132
Schistosoma mansoni hypothetical protein 0.0078 0.0412 0.0716
Echinococcus multilocularis lysine specific demethylase 5A 0.0036 0.0064 0.0105
Loa Loa (eye worm) MH1 domain-containing protein 0.005 0.0181 0.0206
Trichomonas vaginalis penicillin-binding protein, putative 0.0079 0.0423 0.0368
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0293 0.2228 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0504 0.4006 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0079 0.0423 0.0478
Schistosoma mansoni methyl-cpg binding protein mbd 0.0087 0.0487 0.0848
Loa Loa (eye worm) hypothetical protein 0.0459 0.3624 0.4138
Loa Loa (eye worm) MH2 domain-containing protein 0.0736 0.5962 0.6807
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0189 0.1353 0.267
Echinococcus granulosus Smad4 0.005 0.0181 0.0309
Trichomonas vaginalis chromobox protein, putative 0.0072 0.0364 0.0309
Onchocerca volvulus 0.0092 0.0538 0.0533
Loa Loa (eye worm) hypothetical protein 0.0241 0.1787 0.204
Schistosoma mansoni mixed-lineage leukemia protein mll 0.003 0.0007 0.0004
Echinococcus granulosus GPCR family 2 0.0145 0.0981 0.1716
Trypanosoma cruzi hypothetical protein, conserved 0.0079 0.0423 0.1685
Brugia malayi mbt repeat family protein 0.0053 0.0203 0.0226
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0459 0.3624 0.4138
Schistosoma mansoni sex comb on midleg homolog 0.0053 0.0203 0.0348
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0306 0.2338 0.41
Echinococcus granulosus neutral alpha glucosidase AB 0.0035 0.0057 0.0092
Echinococcus granulosus jumonji domain containing protein 0.0042 0.011 0.0185
Loa Loa (eye worm) Smad1 0.005 0.0181 0.0206
Brugia malayi MH1 domain containing protein 0.005 0.0181 0.0201
Echinococcus granulosus chromobox protein 1 0.0072 0.0364 0.0632
Schistosoma mansoni hypothetical protein 0.0145 0.0981 0.1716
Brugia malayi Glycosyl hydrolases family 31 protein 0.016 0.1106 0.1258
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0182 0.1294 0.2266
Echinococcus granulosus Protein patched homolog 1 0.0049 0.0169 0.0289
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0041 0.0105 0.0222
Loa Loa (eye worm) hypothetical protein 0.022 0.1609 0.1837
Brugia malayi beta-lactamase 0.0079 0.0423 0.0478
Echinococcus multilocularis expressed conserved protein 0.0107 0.0658 0.1148
Schistosoma mansoni chromobox protein 0.0072 0.0364 0.0632
Schistosoma mansoni hypothetical protein 0.0105 0.064 0.1117
Trypanosoma cruzi PAB1-binding protein , putative 0.0103 0.0624 0.261
Brugia malayi hypothetical protein 0.0141 0.095 0.108
Mycobacterium tuberculosis Probable lipase LipD 0.0079 0.0423 0.0099
Brugia malayi Thioredoxin reductase 0.0075 0.0387 0.0437
Loa Loa (eye worm) hypothetical protein 0.003 0.0011 0.0012
Schistosoma mansoni patched 1 0.0049 0.0169 0.0289
Loa Loa (eye worm) hypothetical protein 0.0049 0.0169 0.0193
Loa Loa (eye worm) mbt repeat family protein 0.0053 0.0203 0.0231
Loa Loa (eye worm) hypothetical protein 0.0079 0.0423 0.0483
Loa Loa (eye worm) hypothetical protein 0.0313 0.2401 0.2741
Loa Loa (eye worm) bromodomain containing protein 0.009 0.0513 0.0586
Echinococcus granulosus sterol regulatory element binding protein 0.0049 0.0169 0.0289
Brugia malayi glutathione reductase 0.0075 0.0387 0.0437
Brugia malayi latrophilin 2 splice variant baaae 0.0313 0.2401 0.2737
Onchocerca volvulus Alhambra homolog 0.003 0.0011 0.0006
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0035 0.0057 0.0065
Plasmodium falciparum thioredoxin reductase 0.0075 0.0387 0.614
Schistosoma mansoni jumonji/arid domain-containing protein 0.0049 0.0173 0.0296
Toxoplasma gondii histone lysine methyltransferase SET1 0.0125 0.0812 0.7649
Onchocerca volvulus Huntingtin homolog 0.0141 0.095 0.0946
Brugia malayi Bromodomain containing protein 0.0042 0.0112 0.0123
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0139 0.0927 0.4007
Trypanosoma cruzi trypanothione reductase, putative 0.0075 0.0387 0.152
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.2165 0.3796
Plasmodium vivax hypothetical protein, conserved 0.0079 0.0423 0.3934
Plasmodium vivax SET domain protein, putative 0.0154 0.1058 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0241 0.1787 0.3132
Echinococcus granulosus thioredoxin glutathione reductase 0.0076 0.0396 0.0687
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.1068 0.8758 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.0005 0.0005
Echinococcus granulosus PHD finger protein rhinoceros 0.003 0.0011 0.0011
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.017 0.1193 0.2228
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0035 0.0057 0.0441
Loa Loa (eye worm) MH2 domain-containing protein 0.005 0.0181 0.0206
Brugia malayi Calcitonin receptor-like protein seb-1 0.0459 0.3624 0.4135
Loa Loa (eye worm) hypothetical protein 0.0029 0.0005 0.0005
Schistosoma mansoni chromobox protein 0.0072 0.0364 0.0632
Echinococcus multilocularis zinc finger protein 0.0103 0.0622 0.1085
Toxoplasma gondii ABC1 family protein 0.0079 0.0423 0.3934
Trichomonas vaginalis D-aminoacylase, putative 0.0079 0.0423 0.0368
Brugia malayi Bromodomain containing protein 0.0194 0.1396 0.1589
Loa Loa (eye worm) hypothetical protein 0.0286 0.2165 0.2472
Loa Loa (eye worm) jmjC domain-containing protein 0.0049 0.0173 0.0198
Mycobacterium tuberculosis Probable esterase LipL 0.0079 0.0423 0.0099
Brugia malayi F/Y-rich N-terminus family protein 0.0042 0.0116 0.0127
Loa Loa (eye worm) thioredoxin reductase 0.0075 0.0387 0.0442
Schistosoma mansoni sex comb on midleg homolog 0.0053 0.0203 0.0348
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0098 0.0587 0.1023
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.006 0.0264 0.0456
Brugia malayi TAR-binding protein 0.032 0.2455 0.2799
Loa Loa (eye worm) glutathione reductase 0.0075 0.0387 0.0442
Brugia malayi Glycosyl hydrolases family 31 protein 0.0035 0.0057 0.006
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0041 0.0105 0.0222
Echinococcus granulosus smad 0.005 0.0181 0.0309
Brugia malayi MH1 domain containing protein 0.005 0.0181 0.0201
Schistosoma mansoni hypothetical protein 0.0047 0.0154 0.0263
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0189 0.1353 1
Schistosoma mansoni hypothetical protein 0.0313 0.2401 0.421
Loa Loa (eye worm) PHD-finger family protein 0.0105 0.064 0.0731
Schistosoma mansoni hypothetical protein 0.0079 0.0427 0.0742
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.3922 0.6883
Schistosoma mansoni hypothetical protein 0.0145 0.0981 0.1716
Echinococcus multilocularis smad 0.005 0.0181 0.0309
Schistosoma mansoni alpha-glucosidase 0.0138 0.0918 0.1606
Schistosoma mansoni bromodomain containing protein 0.0324 0.2491 0.4369
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0293 0.2228 1
Echinococcus multilocularis tumor protein p63 0.0679 0.5478 0.9616
Onchocerca volvulus 0.0053 0.0203 0.0198
Echinococcus multilocularis protein dispatched 1 0.0056 0.0227 0.0391
Leishmania major trypanothione reductase 0.0075 0.0387 0.152
Schistosoma mansoni cpg binding protein 0.007 0.0345 0.0597
Schistosoma mansoni hypothetical protein 0.003 0.0011 0.0011
Giardia lamblia PHD finger protein 15 0.003 0.0011 0.5
Plasmodium vivax thioredoxin reductase, putative 0.0075 0.0387 0.3594
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0189 0.1353 0.267
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0293 0.2228 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.017 0.1193 0.2228
Schistosoma mansoni hypothetical protein 0.0145 0.0981 0.1716
Loa Loa (eye worm) hypothetical protein 0.0051 0.0192 0.0219
Trichomonas vaginalis esterase, putative 0.0079 0.0423 0.0368
Brugia malayi hypothetical protein 0.0103 0.0624 0.0707
Schistosoma mansoni Smad4 0.005 0.0181 0.0309
Schistosoma mansoni jumonji/arid domain-containing protein 0.0049 0.0173 0.0296
Onchocerca volvulus 0.0079 0.0423 0.0418
Echinococcus granulosus lysine specific demethylase 5A 0.0049 0.0173 0.0296
Schistosoma mansoni transcription factor LCR-F1 0.0079 0.0427 0.0742
Trichomonas vaginalis chromobox protein, putative 0.0043 0.0124 0.0067
Schistosoma mansoni cellular tumor antigen P53 0.0099 0.0595 0.1038
Brugia malayi jmjC domain containing protein 0.0098 0.0587 0.0665
Schistosoma mansoni microtubule-associated protein tau 0.0704 0.5696 1
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0098 0.0041
Mycobacterium ulcerans hypothetical protein 0.0154 0.1059 1
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.003 0.0011 0.0011
Echinococcus granulosus lysosomal alpha glucosidase 0.016 0.1106 0.1935
Echinococcus multilocularis polycomb protein SCMH1 0.0053 0.0203 0.0348
Loa Loa (eye worm) hypothetical protein 0.006 0.0264 0.0301
Onchocerca volvulus Huntingtin homolog 0.0141 0.095 0.0946
Schistosoma mansoni jumonji domain containing protein 0.0078 0.0416 0.0723
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0145 0.0981 0.1716
Schistosoma mansoni hypothetical protein 0.0047 0.0154 0.0263
Loa Loa (eye worm) hypothetical protein 0.0103 0.0624 0.0712
Loa Loa (eye worm) latrophilin receptor protein 2 0.0145 0.0981 0.112
Schistosoma mansoni zinc finger protein 0.0078 0.0412 0.0716
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0126 0.0819 0.143
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0079 0.0423 0.0099
Echinococcus granulosus histone lysine methyltransferase setb 0.0241 0.1787 0.3132
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0253 0.1889 0.3311
Mycobacterium tuberculosis Putative ferredoxin reductase 0.017 0.1193 0.2228
Echinococcus multilocularis TGF beta signal transducer SmadC 0.005 0.0181 0.0309
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0118 0.0749 0.1308

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.631 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.9953 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.3753 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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