Detailed information for compound 1208598

Basic information

Technical information
  • TDR Targets ID: 1208598
  • Name: 2,5-dimethyl-1-[(4-methylphenyl)methyl]-4-[[( 4-methylphenyl)methylamino]methyl]pyrrole-3-c arboxylic acid
  • MW: 376.491 | Formula: C24H28N2O2
  • H donors: 2 H acceptors: 2 LogP: 1.9 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)CNCc1c(C(=O)O)c(n(c1C)Cc1ccc(cc1)C)C
  • InChi: 1S/C24H28N2O2/c1-16-5-9-20(10-6-16)13-25-14-22-18(3)26(19(4)23(22)24(27)28)15-21-11-7-17(2)8-12-21/h5-12,25H,13-15H2,1-4H3,(H,27,28)
  • InChiKey: KPHMHWFSUPIJLC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2,5-dimethyl-1-[(4-methylphenyl)methyl]-4-[[(4-methylphenyl)methylamino]methyl]-3-pyrrolecarboxylic acid
  • 2,5-dimethyl-1-(4-methylbenzyl)-4-[[(4-methylbenzyl)amino]methyl]pyrrole-3-carboxylic acid
  • C879-0727
  • NCGC00114089-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens tumor protein p53 Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
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 tailless protein 0.0067 0.0231 0.0231
Loa Loa (eye worm) hypothetical protein 0.0156 0.0608 0.0608
Loa Loa (eye worm) hypothetical protein 0.0067 0.0231 0.0231
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0134 0.0134
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0141 0.0544 0.0544
Loa Loa (eye worm) cytochrome P450 family protein 0.0064 0.0219 0.0218
Brugia malayi Cytochrome P450 family protein 0.0064 0.0219 0.0219
Onchocerca volvulus Bile acid receptor homolog 0.0141 0.0544 0.4439
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0097 0.0357 0.0329
Brugia malayi Nuclear hormone receptor-like 1 0.0141 0.0544 0.0544
Loa Loa (eye worm) cytochrome P450 family protein 0.0018 0.0029 0.0028
Echinococcus multilocularis FTZ F1 alpha 0.0141 0.0544 0.0544
Brugia malayi Cytochrome P450 family protein 0.0064 0.0219 0.0219
Loa Loa (eye worm) CYP4Cod1 0.0064 0.0219 0.0218
Loa Loa (eye worm) hypothetical protein 0.0043 0.0134 0.0134
Echinococcus granulosus Niemann Pick C1 protein 0.0986 0.4089 0.4088
Mycobacterium tuberculosis Conserved protein 0.0043 0.0134 0.097
Echinococcus multilocularis microtubule associated protein 2 0.0714 0.2949 0.2949
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0105 0.0393 0.0685
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0141 0.0544 0.0517
Loa Loa (eye worm) nuclear hormone receptor 0.0067 0.0231 0.0231
Brugia malayi glucose-6-phosphate dehydrogenase 0.0097 0.0357 0.0357
Trichomonas vaginalis set domain proteins, putative 0.0276 0.1111 0.225
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0141 0.0544 0.0544
Schistosoma mansoni nuclear receptor nhr-48 0.0067 0.0231 0.0203
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0105 0.0393 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0134 0.0134
Brugia malayi nuclear receptor RXR 0.0075 0.0265 0.0265
Loa Loa (eye worm) hypothetical protein 0.0067 0.0231 0.0231
Loa Loa (eye worm) hypothetical protein 0.0986 0.4089 0.4088
Brugia malayi nuclear receptor NHR-88 0.0141 0.0544 0.0544
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0086 0.0313 0.0285
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0141 0.0544 0.0517
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0141 0.0544 0.0517
Onchocerca volvulus 0.0067 0.0231 0.1367
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0141 0.0544 0.0517
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0134 0.0121
Brugia malayi hypothetical protein 0.0067 0.0231 0.0231
Loa Loa (eye worm) glucose-6-phosphate dehydrogenase 0.0097 0.0357 0.0356
Loa Loa (eye worm) hypothetical protein 0.0075 0.0265 0.0264
Brugia malayi Nuclear hormone receptor E75 0.0067 0.0231 0.0231
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.1123 0.4666 1
Echinococcus granulosus muscleblind protein 0.0328 0.133 0.1329
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0075 0.0265 0.0237
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0141 0.0544 0.0544
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.003 0.0079 0.005
Loa Loa (eye worm) hypothetical protein 0.0328 0.133 0.1329
Echinococcus granulosus flap endonuclease 1 0.003 0.0079 0.0078
Trypanosoma brucei glucose-6-phosphate 1-dehydrogenase 0.0097 0.0357 0.0329
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0033 0.0092 0.0092
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.2395 1 1
Onchocerca volvulus 0.0067 0.0231 0.1367
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0141 0.0544 0.0544
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0067 0.0231 0.0231
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0067 0.0231 0.0203
Brugia malayi Nuclear hormone receptor-like 1 0.0075 0.0265 0.0265
Loa Loa (eye worm) hypothetical protein 0.0045 0.0142 0.0142
Loa Loa (eye worm) hypothetical protein 0.0043 0.0134 0.0134
Loa Loa (eye worm) hypothetical protein 0.0043 0.0134 0.0134
Mycobacterium tuberculosis Conserved protein 0.0043 0.0134 0.097
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0035 0.0101 0.01
Brugia malayi beta-lactamase family protein 0.0043 0.0134 0.0134
Echinococcus granulosus L aminoadipate semialdehyde 0.0086 0.0313 0.0312
Echinococcus granulosus Nuclear hormone receptor HR96 0.0067 0.0231 0.0231
Brugia malayi CHE-14 protein 0.0986 0.4089 0.4089
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0024 0.0053 0.0025
Echinococcus granulosus ecdysone induced protein 78C 0.0141 0.0544 0.0544
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0141 0.0544 0.0544
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0141 0.0544 0.0544
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0243 0.0971 0.097
Trichomonas vaginalis 6-phosphogluconolactonase, putative 0.0105 0.0393 0.0685
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0024 0.0053 0.0227
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0097 0.0357 0.0329
Schistosoma mansoni steroid hormone receptor ad4bp 0.0141 0.0544 0.0517
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0032 0.0086 0.0058
Schistosoma mansoni coup transcription factor 0.0141 0.0544 0.0517
Onchocerca volvulus 0.0141 0.0544 0.4439
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0134 0.2382
Loa Loa (eye worm) hypothetical protein 0.2395 1 1
Echinococcus granulosus Protein patched homolog 1 0.0986 0.4089 0.4088
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0141 0.0544 0.0544
Echinococcus granulosus FTZ F1 alpha 0.0141 0.0544 0.0544
Chlamydia trachomatis glucose-6-phosphate 1-dehydrogenase 0.0097 0.0357 1
Echinococcus granulosus glucose 6 phosphate 1 dehydrogenase 0.0097 0.0357 0.0356
Echinococcus granulosus Nuclear hormone receptor HR96 0.0067 0.0231 0.0231
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0141 0.0544 0.0544
Echinococcus multilocularis hydroxymethylglutaryl coenzyme A reductase 0.2395 1 1
Giardia lamblia Glucose-6-phosphate 1-dehydrogenase 0.0105 0.0393 0.0685
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0141 0.0544 0.0544
Loa Loa (eye worm) hypothetical protein 0.0067 0.0231 0.0231
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0063 0.0216 0.0188
Loa Loa (eye worm) nuclear receptor NHR-67 0.0067 0.0231 0.0231
Brugia malayi hypothetical protein 0.0075 0.0265 0.0265
Loa Loa (eye worm) hypothetical protein 0.0086 0.0313 0.0312
Brugia malayi nuclear hormone receptor family member nhr-6 0.0067 0.0231 0.0231
Brugia malayi photoreceptor-specific nuclear receptor 0.0141 0.0544 0.0544
Onchocerca volvulus Protein ultraspiracle homolog 0.0141 0.0544 0.4439
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0141 0.0544 0.0544
Leishmania major 3-hydroxy-3-methylglutaryl-CoA reductase 0.2395 1 1
Echinococcus multilocularis nuclear receptor nhr 48 0.0067 0.0231 0.0231
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0986 0.4089 0.4072
Loa Loa (eye worm) beta-lactamase 0.0043 0.0134 0.0134
Brugia malayi hypothetical protein 0.0067 0.0231 0.0231
Giardia lamblia 3-hydroxy-3-methylglutaryl-coenzyme A reductase 0.1123 0.4666 1
Trichomonas vaginalis conserved hypothetical protein 0.0986 0.4089 0.8742
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0075 0.0265 0.0264
Schistosoma mansoni nuclear hormone receptor 0.0067 0.0231 0.0203
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0067 0.0231 0.0231
Toxoplasma gondii histone lysine methyltransferase SET1 0.0065 0.0223 0.5329
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0024 0.0053 0.0679
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.1123 0.4666 1
Trypanosoma brucei cytochrome P450, putative 0.0064 0.0219 0.0191
Loa Loa (eye worm) cytochrome P450 family protein 0.0064 0.0219 0.0218
Onchocerca volvulus 0.0043 0.0134 0.0415
Loa Loa (eye worm) hypothetical protein 0.0141 0.0544 0.0544
Brugia malayi nuclear receptor NHR-67 0.0067 0.0231 0.0231
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0067 0.0231 0.0231
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0986 0.4089 0.4088
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0141 0.0544 0.0544
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0067 0.0231 0.1367
Schistosoma mansoni glucose-6-phosphate 1-dehydrogenase 0.0097 0.0357 0.0329
Schistosoma mansoni zinc finger protein 0.0067 0.0231 0.0203
Loa Loa (eye worm) hypothetical protein 0.0141 0.0544 0.0544
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0141 0.0544 0.0544
Loa Loa (eye worm) hypothetical protein 0.0067 0.0231 0.0231
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0141 0.0544 0.0544
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0075 0.0265 0.0237
Echinococcus multilocularis flap endonuclease 1 0.003 0.0079 0.0078
Brugia malayi Pre-SET motif family protein 0.0035 0.0101 0.0101
Brugia malayi Cytochrome P450 family protein 0.0018 0.0029 0.0029
Mycobacterium ulcerans hypothetical protein 0.0043 0.0134 0.0106
Echinococcus multilocularis tumor protein p63 0.0408 0.1664 0.1664
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0141 0.0544 0.0544
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0072 0.0255 0.0227
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0035 0.0101 0.1975
Echinococcus granulosus thyroid hormone receptor alpha 0.0067 0.0231 0.0231
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0134 0.097
Entamoeba histolytica Flap nuclease, putative 0.003 0.0079 1
Brugia malayi Nuclear hormone receptor-like 1 0.0075 0.0265 0.0265
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0134 0.0106
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0067 0.0231 0.0231
Mycobacterium tuberculosis Conserved protein 0.0043 0.0134 0.097
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0134 0.097
Echinococcus granulosus cytochrome P450 2K1 0.0018 0.0029 0.0028
Brugia malayi Cytochrome P450 family protein 0.0018 0.0029 0.0029
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0134 0.097
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0141 0.0544 0.0544
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.003 0.0079 0.005
Brugia malayi Steroid receptor seven-up type 2 0.0141 0.0544 0.0544
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0134 0.0121
Loa Loa (eye worm) hypothetical protein 0.0067 0.0231 0.0231
Trypanosoma brucei 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.2395 1 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0067 0.0231 0.0231
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0141 0.0544 0.0544
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0067 0.0231 0.0231
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0105 0.0393 0.0685
Onchocerca volvulus 0.0276 0.1111 1
Brugia malayi Flap endonuclease-1 0.003 0.0079 0.0079
Brugia malayi nuclear hormone receptor 0.0067 0.0231 0.0231
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0141 0.0544 0.0544
Onchocerca volvulus 0.0086 0.0313 0.2168
Schistosoma mansoni cpg binding protein 0.0035 0.01 0.0072
Onchocerca volvulus 0.0156 0.0608 0.5064
Echinococcus multilocularis cpg binding protein 0.0035 0.01 0.0099
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0134 0.0134
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0134 0.0106
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0134 0.097
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0067 0.0231 0.0231
Echinococcus granulosus hydroxymethylglutaryl coenzyme A reductase 0.2395 1 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0134 0.0121
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0134 0.097
Echinococcus granulosus nuclear receptor nhr 48 0.0067 0.0231 0.0231
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0075 0.0265 0.0264
Loa Loa (eye worm) hypothetical protein 0.0141 0.0544 0.0544
Loa Loa (eye worm) hypothetical protein 0.0141 0.0544 0.0544
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0024 0.0053 0.5
Echinococcus granulosus tumor protein p63 0.0408 0.1664 0.1664
Schistosoma mansoni nuclear receptor 0.0067 0.0231 0.0203
Mycobacterium ulcerans hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase 0.2395 1 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0141 0.0544 0.0544
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0134 0.0106
Echinococcus multilocularis protein dispatched 1 0.0986 0.4089 0.4088
Echinococcus multilocularis muscleblind protein 0.0328 0.133 0.1329
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0134 0.097
Loa Loa (eye worm) hypothetical protein 0.0067 0.0231 0.0231
Echinococcus multilocularis ecdysone induced protein 78C 0.0141 0.0544 0.0544
Loa Loa (eye worm) cytochrome P450 0.0018 0.0029 0.0028
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0101 0.0072
Trypanosoma cruzi Glucose-6-phosphate dehydrogenase, putative 0.0031 0.0082 0.0054
Brugia malayi beta-lactamase family protein 0.0043 0.0134 0.0134
Loa Loa (eye worm) hypothetical protein 0.0141 0.0544 0.0544
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0134 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0067 0.0231 0.0231
Plasmodium vivax flap endonuclease 1, putative 0.003 0.0079 0.0753
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0134 0.0106
Brugia malayi hypothetical protein 0.0156 0.0608 0.0608
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0101 0.0072
Loa Loa (eye worm) hypothetical protein 0.0067 0.0231 0.0231
Brugia malayi ecdysteroid receptor 0.0141 0.0544 0.0544
Schistosoma mansoni cpg binding protein 0.0035 0.01 0.0072
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0063 0.0216 0.5153
Schistosoma mansoni RAR-like nuclear receptor 0.0141 0.0544 0.0517
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0024 0.0053 0.0679
Brugia malayi conserved hypotetical protein 0.0067 0.0231 0.0231
Schistosoma mansoni thyroid hormone receptor 0.0141 0.0544 0.0517
Brugia malayi Muscleblind-like protein 0.0328 0.133 0.133
Loa Loa (eye worm) hypothetical protein 0.0067 0.0231 0.0231
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0141 0.0544 0.0544
Echinococcus multilocularis sterol regulatory element binding protein 0.0986 0.4089 0.4088
Loa Loa (eye worm) steroid hormone receptor 0.0141 0.0544 0.0544
Brugia malayi cytochrome P450 0.0018 0.0029 0.0029
Schistosoma mansoni hydroxymethylglutaryl-CoA reductase (NADPH) 0.2395 1 1
Brugia malayi nuclear receptor NHR-88 0.0067 0.0231 0.0231
Loa Loa (eye worm) hypothetical protein 0.0075 0.0265 0.0264
Echinococcus multilocularis protein patched 0.0986 0.4089 0.4088
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0141 0.0544 0.0517
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0141 0.0544 0.0544
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0134 0.0121
Brugia malayi hypothetical protein 0.0075 0.0265 0.0265
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.003 0.0079 0.138
Trypanosoma cruzi cytochrome P450, putative 0.0064 0.0219 0.0191
Loa Loa (eye worm) hypothetical protein 0.0043 0.0134 0.0134
Toxoplasma gondii ABC1 family protein 0.0043 0.0134 0.2899
Brugia malayi nuclear hormone receptor 0.0141 0.0544 0.0544
Mycobacterium leprae Probable lipase LipE 0.0043 0.0134 1
Brugia malayi nuclear receptor RXR 0.0067 0.0231 0.0231
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0141 0.0544 0.0544
Loa Loa (eye worm) hypothetical protein 0.0067 0.0231 0.0231
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0141 0.0544 0.0544
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0064 0.0219 0.0191
Leishmania major glucose-6-phosphate 1-dehydrogenase, putative 0.0097 0.0357 0.0329
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0035 0.0101 0.01
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0141 0.0544 0.0544
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0141 0.0544 0.0544
Loa Loa (eye worm) hypothetical protein 0.0075 0.0265 0.0264
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0141 0.0544 0.0544
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0134 0.0106
Echinococcus granulosus microtubule associated protein 2 0.0714 0.2949 0.2949
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0075 0.0265 0.0264
Leishmania major hypothetical protein, conserved 0.0043 0.0134 0.0106
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0035 0.0101 0.0072
Brugia malayi Nuclear hormone receptor E75 0.0067 0.0231 0.0231
Schistosoma mansoni flap endonuclease-1 0.0027 0.0067 0.0038
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0067 0.0231 0.0203
Echinococcus multilocularis glucose 6 phosphate 1 dehydrogenase 0.0097 0.0357 0.0356
Echinococcus multilocularis 0.0018 0.0029 0.0028
Echinococcus granulosus sterol regulatory element binding protein 0.0986 0.4089 0.4088
Onchocerca volvulus 0.0035 0.0101 0.0084
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0101 0.0072
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.1117 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0141 0.0544 0.0544
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0067 0.0231 0.1367
Loa Loa (eye worm) hypothetical protein 0.006 0.0202 0.0202
Brugia malayi nuclear hormone receptor family member odr-7 0.0067 0.0231 0.0231
Loa Loa (eye worm) CXXC zinc finger family protein 0.0033 0.0092 0.0091
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0086 0.0313 0.0313
Onchocerca volvulus 0.006 0.0202 0.1084
Leishmania major flap endonuclease-1 (FEN-1), putative 0.003 0.0079 0.005
Loa Loa (eye worm) hypothetical protein 0.0141 0.0544 0.0544
Onchocerca volvulus 0.0043 0.0134 0.0415
Plasmodium vivax glucose-6-phosphate 1-dehydrogenase, putative 0.0105 0.0393 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0134 0.0134
Plasmodium falciparum flap endonuclease 1 0.003 0.0079 0.0753
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase 0.2395 1 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0134 0.0121
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0141 0.0544 0.0544
Mycobacterium leprae conserved hypothetical protein 0.0024 0.0053 0.2341
Schistosoma mansoni patched 1 0.0986 0.4089 0.4072
Loa Loa (eye worm) hypothetical protein 0.0067 0.0231 0.0231
Onchocerca volvulus 0.0043 0.0134 0.0415
Loa Loa (eye worm) hypothetical protein 0.0067 0.0231 0.0231
Brugia malayi beta-lactamase 0.0043 0.0134 0.0134
Schistosoma mansoni nuclear hormone receptor 0.0067 0.0231 0.0203
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0141 0.0544 0.0544
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0134 0.0134
Loa Loa (eye worm) hypothetical protein 0.0075 0.0265 0.0264
Echinococcus multilocularis thyroid hormone receptor alpha 0.0141 0.0544 0.0544
Loa Loa (eye worm) flap endonuclease-1 0.003 0.0079 0.0078
Brugia malayi steroid hormone receptor 0.0141 0.0544 0.0544
Brugia malayi orphan nuclear receptor NR2E1 0.0067 0.0231 0.0231
Brugia malayi ecdysone receptor 0.0067 0.0231 0.0231
Brugia malayi Pre-SET motif family protein 0.0243 0.0971 0.0971
Loa Loa (eye worm) hypothetical protein 0.0075 0.0265 0.0264
Echinococcus granulosus histone lysine methyltransferase setb 0.0035 0.0101 0.01
Schistosoma mansoni microtubule-associated protein tau 0.0714 0.2949 0.2929
Schistosoma mansoni nuclear hormone receptor 0.0141 0.0544 0.0517
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0067 0.0231 0.0231
Trypanosoma cruzi cytochrome P450, putative 0.0064 0.0219 0.0191
Schistosoma mansoni cellular tumor antigen P53 0.006 0.0202 0.0174
Leishmania major phosphopantetheinyl transferase-like protein 0.0024 0.0053 0.0025
Trypanosoma brucei hypothetical protein, conserved 0.0024 0.0053 0.0025
Trichomonas vaginalis esterase, putative 0.0043 0.0134 0.0121
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0134 0.097
Schistosoma mansoni cpg binding protein 0.0033 0.0092 0.0064
Echinococcus multilocularis muscleblind protein 1 0.0328 0.133 0.1329
Schistosoma mansoni thyroid hormone receptor 0.0141 0.0544 0.0517
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0141 0.0544 0.0544
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0141 0.0544 0.0544
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0141 0.0544 0.0544
Loa Loa (eye worm) hypothetical protein 0.0043 0.0134 0.0134
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0141 0.0544 0.0517
Loa Loa (eye worm) hypothetical protein 0.0141 0.0544 0.0544
Echinococcus multilocularis Niemann Pick C1 protein 0.0986 0.4089 0.4088
Loa Loa (eye worm) hypothetical protein 0.0067 0.0231 0.0231
Loa Loa (eye worm) hypothetical protein 0.0141 0.0544 0.0544
Treponema pallidum glucose-6-phosphate 1-dehydrogenase 0.0097 0.0357 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0101 0.01
Schistosoma mansoni nuclear receptor 0.0067 0.0231 0.0203
Echinococcus granulosus cpg binding protein 0.0035 0.01 0.0099
Loa Loa (eye worm) DR-78 0.0067 0.0231 0.0231
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0024 0.0053 0.0025
Mycobacterium ulcerans lipase LipD 0.0043 0.0134 0.0106
Mycobacterium tuberculosis Probable glucose-6-phosphate 1-dehydrogenase Zwf2 (G6PD) 0.0033 0.0092 0.0585
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0141 0.0544 0.0544
Plasmodium vivax SET domain protein, putative 0.0035 0.0101 0.1391
Loa Loa (eye worm) hypothetical protein 0.0328 0.133 0.1329
Loa Loa (eye worm) hypothetical protein 0.0067 0.0231 0.0231
Schistosoma mansoni retinoic acid receptor RXR 0.0141 0.0544 0.0517
Echinococcus multilocularis L aminoadipate semialdehyde 0.0086 0.0313 0.0312
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0141 0.0544 0.0544
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.1123 0.4666 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0141 0.0544 0.4439
Leishmania major cytochrome p450-like protein 0.0064 0.0219 0.0191
Plasmodium falciparum glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase 0.0105 0.0393 1
Mycobacterium ulcerans beta-lactamase 0.0043 0.0134 0.0106
Brugia malayi CXXC zinc finger family protein 0.0033 0.0092 0.0092
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0134 0.0106
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0134 0.0106

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.0316 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53 Null Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 0.7079 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

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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