Detailed information for compound 1802613

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 447.589 | Formula: C27H29NO3S
  • H donors: 1 H acceptors: 2 LogP: 5.98 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)CC(=O)N[C@@H](C(=O)S[C@H](Cc1ccc(cc1)c1ccccc1)C)C
  • InChi: 1S/C27H29NO3S/c1-19(17-21-9-13-24(14-10-21)23-7-5-4-6-8-23)32-27(30)20(2)28-26(29)18-22-11-15-25(31-3)16-12-22/h4-16,19-20H,17-18H2,1-3H3,(H,28,29)/t19-,20+/m0/s1
  • InChiKey: RETWBVWWPPYYNL-VQTJNVASSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Pseudomonas aeruginosa Beta-lactamase Starlite/ChEMBL No references

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
Loa Loa (eye worm) hypothetical protein 0.0035 0.0319 0.0905
Echinococcus multilocularis jumonji domain containing protein 0.0041 0.0406 0.0367
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0257 0.0225
Onchocerca volvulus 0.0035 0.0319 0.0704
Toxoplasma gondii aldehyde dehydrogenase 0.0061 0.0704 0.1902
Loa Loa (eye worm) hypothetical protein 0.0038 0.0374 0.1059
Brugia malayi Carboxylesterase family protein 0.0205 0.284 0.8049
Trypanosoma cruzi arginine N-methyltransferase, putative 0.0023 0.0141 0.7509
Echinococcus granulosus methyltransferase protein 5 0.0023 0.0141 0.0102
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0257 0.0225
Loa Loa (eye worm) hydroxyacylglutathione hydrolase cytoplasmic 0.0019 0.0092 0.0262
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0025 0.0178 0.0394
Mycobacterium leprae conserved hypothetical protein 0.0019 0.0092 0.5
Mycobacterium tuberculosis Conserved protein 0.0019 0.0092 0.0787
Brugia malayi metallo-beta-lactamase superfamily protein 0.0019 0.0092 0.0262
Trypanosoma cruzi metallo-beta-lactamase-like protein, putative 0.0019 0.0092 0.4118
Entamoeba histolytica arginine N-methyltransferase 1, putative 0.0023 0.0141 1
Leishmania major hypothetical protein, conserved 0.0019 0.0092 0.0888
Schistosoma mansoni hypothetical protein 0.0029 0.0237 0.0205
Loa Loa (eye worm) jmjC domain-containing protein 0.0098 0.1249 0.354
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.0164 0.0124
Trypanosoma cruzi glyoxalase II 0.0019 0.0092 0.4118
Brugia malayi jmjC domain containing protein 0.0154 0.2086 0.5911
Plasmodium falciparum phd finger protein, putative 0.0029 0.0237 1
Loa Loa (eye worm) bromodomain containing protein 0.0018 0.0068 0.0192
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0237 0.0565
Echinococcus multilocularis para nitrobenzyl esterase 0.0035 0.0319 0.028
Brugia malayi Carboxylesterase family protein 0.0205 0.284 0.8049
Echinococcus granulosus protein arginine N methyltransferase 7 0.0023 0.0141 0.0102
Loa Loa (eye worm) hypothetical protein 0.0019 0.0092 0.0262
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0704 1
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0704 0.0673
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0035 0.0319 0.0288
Loa Loa (eye worm) carboxylesterase 0.0035 0.0319 0.0905
Trypanosoma cruzi arginine N-methyltransferase, type III 0.0023 0.0141 0.7509
Echinococcus multilocularis hydroxyacylglutathione hydrolase 0.0019 0.0092 0.0052
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0025 0.0178 0.0145
Mycobacterium tuberculosis Possible hydrolase 0.0019 0.0092 0.0787
Plasmodium falciparum JmjC domain-containing protein, putative 0.0025 0.0178 0.696
Trypanosoma cruzi hydroxyacylglutathione hydrolase, putative 0.0019 0.0092 0.4118
Toxoplasma gondii hydroxyacylglutathione hydrolase 0.0019 0.0092 0.015
Leishmania major arginine N-methyltransferase, type III, putative;with=GeneDB:Tb927.7.5490 0.0023 0.0141 0.1619
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0035 0.0319 0.0288
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0154 0.2086 0.2054
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.004 0.0058
Schistosoma mansoni gliotactin 0.0035 0.0319 0.0288
Schistosoma mansoni hypothetical protein 0.0169 0.231 0.2284
Loa Loa (eye worm) Carm1-pending protein 0.0252 0.3529 1
Echinococcus multilocularis metallo beta lactamase domain containing protein 0.0019 0.0092 0.0052
Trypanosoma cruzi hydroxyacylglutathione hydrolase, putative 0.0019 0.0092 0.4118
Leishmania major arginine N-methyltransferase, type I 0.0023 0.0141 0.1619
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.004 0.011
Leishmania major hydroxyacylglutathione hydrolase, putative,glyoxalase II, putative 0.0019 0.0092 0.0888
Brugia malayi MH2 domain containing protein 0.0119 0.157 0.445
Echinococcus multilocularis microtubule associated protein 2 0.0689 1 1
Echinococcus granulosus jumonji domain containing protein 0.0041 0.0406 0.0367
Plasmodium vivax hypothetical protein, conserved 0.0029 0.0237 0.9097
Onchocerca volvulus 0.0151 0.2039 0.604
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0112 0.0316
Loa Loa (eye worm) carboxylesterase 0.0035 0.0319 0.0905
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0029 0.0237 0.0205
Schistosoma mansoni hypothetical protein 0.0019 0.0092 0.006
Echinococcus multilocularis peregrin 0.0031 0.0272 0.0233
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0016 0.004 0.0058
Onchocerca volvulus 0.0035 0.0319 0.0704
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.004 0.0114
Loa Loa (eye worm) jmjC domain-containing protein 0.0025 0.0178 0.0503
Brugia malayi Isocitrate dehydrogenase 0.0016 0.004 0.0114
Trypanosoma brucei cleavage and polyadenylation specificity factor subunit, putative 0.0019 0.0092 0.0471
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.0059 0.0019
Giardia lamblia PHD finger protein 15 0.0029 0.0237 1
Echinococcus granulosus lysine specific demethylase 6a 0.0025 0.0178 0.0138
Schistosoma mansoni phd/f-box containing protein 0.0025 0.0178 0.0145
Echinococcus granulosus zinc finger protein 0.0021 0.012 0.008
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.0696 0.1972
Loa Loa (eye worm) hypothetical protein 0.0019 0.0092 0.0262
Brugia malayi ethe1-prov protein 0.0019 0.0092 0.0262
Schistosoma mansoni jumonji domain containing protein 0.0025 0.0178 0.0145
Plasmodium vivax hydroxyacyl glutathione hydrolase, putative 0.0019 0.0092 0.2407
Toxoplasma gondii histone arginine methyltransferase PRMT3 0.0023 0.0141 0.029
Loa Loa (eye worm) hypothetical protein 0.0035 0.0319 0.0905
Brugia malayi Protein arginine N-methyltransferase 0.0023 0.0141 0.0401
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0025 0.0178 1
Brugia malayi Pre-SET motif family protein 0.0208 0.289 0.8191
Echinococcus multilocularis jumonji domain containing 1A 0.0025 0.0178 0.0138
Trichomonas vaginalis protein arginine N-methyltransferase, putative 0.0023 0.0141 0.0152
Leishmania major metallo-beta-lactamase family-like protein 0.0019 0.0092 0.0888
Schistosoma mansoni bromodomain containing protein 0.0065 0.0766 0.0735
Trypanosoma cruzi metallo-beta-lactamase-like protein, putative 0.0019 0.0092 0.4118
Leishmania major metallo-beta-lactamase family protein-like protein 0.0019 0.0092 0.0888
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0061 0.0704 0.0666
Brugia malayi Carboxylesterase family protein 0.0035 0.0319 0.0905
Brugia malayi Bromodomain containing protein 0.0077 0.0939 0.2661
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0061 0.0704 1
Brugia malayi Bromodomain containing protein 0.0031 0.0272 0.0772
Loa Loa (eye worm) acetylcholinesterase 1 0.0205 0.284 0.8049
Loa Loa (eye worm) metallo-beta-lactamase superfamily protein 0.0019 0.0092 0.0262
Loa Loa (eye worm) hypothetical protein 0.0025 0.0178 0.0503
Loa Loa (eye worm) carboxylesterase 0.0205 0.284 0.8049
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0035 0.0319 0.4207
Echinococcus granulosus JmjC domain containing protein 4 0.0025 0.0178 0.0138
Echinococcus granulosus hydroxyacylglutathione hydrolase 0.0019 0.0092 0.0052
Loa Loa (eye worm) hypothetical protein 0.0071 0.0851 0.2413
Trypanosoma brucei RNA helicase, putative 0.0101 0.1297 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0098 0.1249 0.122
Echinococcus multilocularis carboxylesterase 5A 0.0205 0.284 0.2811
Loa Loa (eye worm) hypothetical protein 0.0041 0.0409 0.1158
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0035 0.0319 0.028
Plasmodium vivax SET domain protein, putative 0.003 0.0257 1
Echinococcus granulosus carboxylesterase 5A 0.0205 0.284 0.2811
Brugia malayi metallo-beta-lactamase superfamily protein 0.0019 0.0092 0.0262
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0237 0.0565
Loa Loa (eye worm) hypothetical protein 0.0035 0.0319 0.0905
Loa Loa (eye worm) hypothetical protein 0.0205 0.284 0.8049
Loa Loa (eye worm) hypothetical protein 0.0047 0.0509 0.1442
Mycobacterium leprae POSSIBLE HYDROLASE 0.0019 0.0092 0.5
Toxoplasma gondii histone arginine methyltransferase PRMT4/CARM1 0.0252 0.3529 1
Echinococcus granulosus geminin 0.0169 0.231 0.2279
Brugia malayi isocitrate dehydrogenase 0.0016 0.004 0.0114
Leishmania major cleavage and polyadenylation specificity factor, putative 0.0019 0.0092 0.0888
Brugia malayi Carboxylesterase family protein 0.0035 0.0319 0.0905
Schistosoma mansoni BC026374 protein (S09 family) 0.0035 0.0319 0.0288
Echinococcus granulosus jumonji domain containing 1A 0.0025 0.0178 0.0138
Loa Loa (eye worm) hypothetical protein 0.0019 0.0092 0.0262
Brugia malayi Carboxylesterase family protein 0.0035 0.0319 0.0905
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0061 0.0704 0.0666
Schistosoma mansoni phosphatidylserine receptor 0.0025 0.0178 0.0145
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.0164 0.0124
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0025 0.0178 0.1144
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.0164 0.0132
Mycobacterium leprae Beta-lactamase-like protein 0.0019 0.0092 0.5
Mycobacterium leprae conserved hypothetical protein 0.0019 0.0092 0.5
Schistosoma mansoni zinc phosphodiesterase 0.0019 0.0092 0.006
Echinococcus granulosus metallo beta lactamase domain containing protein 0.0019 0.0092 0.0052
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0061 0.0713 0.0675
Trypanosoma brucei protein arginine n-methyltransferase 7 0.0023 0.0141 0.0859
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0704 0.0673
Toxoplasma gondii bicoid-interacting protein BIN3 0.0023 0.0141 0.029
Toxoplasma gondii histone lysine methyltransferase SET1 0.0058 0.0662 0.1782
Schistosoma mansoni acetylcholinesterase 0.0035 0.0319 0.0288
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0059 0.0026
Loa Loa (eye worm) jmjC domain-containing protein 0.0025 0.0178 0.0503
Onchocerca volvulus Alhambra homolog 0.0029 0.0237 0.045
Chlamydia trachomatis ribonuclease Z 0.0019 0.0092 0.5
Entamoeba histolytica arginine N-methyltransferase protein, putative 0.0023 0.0141 1
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0059 0.0026
Brugia malayi CXXC zinc finger family protein 0.0029 0.0231 0.0655
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0035 0.0319 0.028
Leishmania major hypothetical protein, conserved 0.0025 0.0178 0.2157
Brugia malayi jmjC domain containing protein 0.0025 0.0178 0.0503
Schistosoma mansoni jumonji/arid domain-containing protein 0.0098 0.1249 0.122
Echinococcus multilocularis histone arginine methyltransferase CARMER 0.0252 0.3529 0.3503
Schistosoma mansoni protein phosphatase 2C 0.0025 0.0178 0.0145
Echinococcus granulosus histone lysine methyltransferase setb 0.0047 0.0509 0.0471
Loa Loa (eye worm) hypothetical protein 0.0205 0.284 0.8049
Echinococcus multilocularis zinc finger protein 0.0021 0.012 0.008
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0061 0.0704 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0319 0.0905
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0704 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0319 0.0905
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0035 0.0319 0.4207
Mycobacterium tuberculosis Conserved protein 0.0019 0.0092 0.0787
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0047 0.0509 0.0478
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0338 0.0299
Trypanosoma cruzi arginine N-methyltransferase, type I 0.0023 0.0141 0.7509
Loa Loa (eye worm) hypothetical protein 0.0025 0.0178 0.0503
Schistosoma mansoni hypothetical protein 0.0101 0.1297 0.1269
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0047 0.0509 0.0478
Schistosoma mansoni hypothetical protein 0.0169 0.231 0.2284
Plasmodium vivax unspecified product 0.0019 0.0092 0.2407
Loa Loa (eye worm) hypothetical protein 0.0151 0.2039 0.5778
Onchocerca volvulus 0.0035 0.0319 0.0704
Loa Loa (eye worm) protein arginine N-methyltransferase 0.0023 0.0141 0.0401
Echinococcus multilocularis PHD finger protein rhinoceros 0.0029 0.0237 0.0198
Onchocerca volvulus 0.003 0.0257 0.0511
Loa Loa (eye worm) hypothetical protein 0.0019 0.0092 0.0262
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.004 0.0511
Echinococcus granulosus zinc phosphodiesterase 0.0019 0.0092 0.0052
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0231 0.0655
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0257 0.0622
Loa Loa (eye worm) hypothetical protein 0.0044 0.0461 0.1306
Trypanosoma cruzi glyoxalase II 0.0019 0.0092 0.4118
Brugia malayi PHD-finger family protein 0.0027 0.0199 0.0564
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0092 0.0787
Onchocerca volvulus 0.0237 0.3315 1
Brugia malayi hypothetical protein 0.0035 0.0319 0.0905
Brugia malayi jmjC domain containing protein 0.0025 0.0178 0.0503
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0232 0.0192
Brugia malayi F/Y-rich N-terminus family protein 0.0021 0.0122 0.0345
Schistosoma mansoni cpg binding protein 0.0032 0.0283 0.0251
Loa Loa (eye worm) transcription factor SMAD2 0.0119 0.157 0.445
Brugia malayi jmjC domain containing protein 0.0025 0.0178 0.0503
Schistosoma mansoni cpg binding protein 0.0029 0.0231 0.0199
Loa Loa (eye worm) hydroxyacylglutathione hydrolase 0.0019 0.0092 0.0262
Brugia malayi hypothetical protein 0.0019 0.0092 0.0262
Onchocerca volvulus 0.0029 0.0231 0.043
Schistosoma mansoni cpg binding protein 0.0032 0.0283 0.0251
Wolbachia endosymbiont of Brugia malayi metallo-beta-lactamase superfamily hydrolase 0.0019 0.0092 0.5
Loa Loa (eye worm) PHD-finger family protein 0.0029 0.0237 0.0673
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0338 0.0299
Brugia malayi Bromodomain containing protein 0.0038 0.0373 0.1056
Trypanosoma brucei hydroxyacylglutathione hydrolase, putative 0.0019 0.0092 0.0471
Brugia malayi jmjC domain containing protein 0.0025 0.0178 0.0503
Entamoeba histolytica hypothetical protein 0.0023 0.0141 1
Schistosoma mansoni hypothetical protein 0.0019 0.0092 0.006
Schistosoma mansoni zinc finger protein 0.0021 0.012 0.0088
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0208 0.289 0.8191
Echinococcus multilocularis geminin 0.0169 0.231 0.2279
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0018 0.0069 0.0036
Trichomonas vaginalis spcc417.12 protein, putative 0.0035 0.0319 0.0704
Mycobacterium tuberculosis Possible hydrolase 0.0019 0.0092 0.0787
Echinococcus multilocularis neuroligin 0.0035 0.0319 0.028
Mycobacterium tuberculosis Carboxylesterase LipT 0.0035 0.0319 0.4207
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0035 0.0319 0.0288
Schistosoma mansoni neuroligin 3 (S09 family) 0.0035 0.0319 0.0288
Trypanosoma cruzi metallo-beta-lactamase superfamily, putative 0.0019 0.0092 0.4118
Trypanosoma cruzi arginine N-methyltransferase, putative 0.0023 0.0141 0.7509
Echinococcus multilocularis lysine specific demethylase 5A 0.0094 0.1197 0.1161
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0092 0.0787
Trypanosoma cruzi metallo-beta-lactamase superfamily, putative 0.0019 0.0092 0.4118
Mycobacterium ulcerans carboxylesterase, LipT 0.0035 0.0319 0.3713
Echinococcus multilocularis ETHE1 protein 0.0019 0.0092 0.0052
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.004 0.0007
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0025 0.0178 0.0394
Echinococcus granulosus acetylcholinesterase 0.0205 0.284 0.2811
Loa Loa (eye worm) MH2 domain-containing protein 0.0119 0.157 0.445
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0061 0.0713 0.0675
Brugia malayi Carm1-pending protein 0.0252 0.3529 1
Echinococcus multilocularis BC026374 protein (S09 family) 0.0035 0.0319 0.028
Brugia malayi Carboxylesterase family protein 0.0035 0.0319 0.0905
Plasmodium vivax JmjC domain containing protein 0.0025 0.0178 0.6332
Brugia malayi PHD-finger family protein 0.0029 0.0237 0.0673
Schistosoma mansoni microtubule-associated protein tau 0.0689 1 1
Echinococcus granulosus phd:f box containing protein 0.0025 0.0178 0.0138
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0035 0.0319 0.0704
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0029 0.023 0.019
Loa Loa (eye worm) hypothetical protein 0.0066 0.0777 0.2201
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0257 0.0218
Trypanosoma cruzi glyoxalase II 0.0019 0.0092 0.4118
Trypanosoma brucei glyoxalase II 0.0019 0.0092 0.0471
Echinococcus granulosus ETHE1 protein 0.0019 0.0092 0.0052
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.0059 0.0019
Brugia malayi hypothetical protein 0.0151 0.2039 0.5778
Toxoplasma gondii metallo-beta-lactamase domain-containing protein 0.0019 0.0092 0.015
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0092 0.0787
Loa Loa (eye worm) hypothetical protein 0.0029 0.0237 0.0673
Echinococcus granulosus peregrin 0.0031 0.0272 0.0233
Trypanosoma brucei metallo-beta-lactamase-like protein, putative 0.0019 0.0092 0.0471
Onchocerca volvulus 0.0229 0.3194 0.9625
Echinococcus granulosus cpg binding protein 0.0032 0.0283 0.0244
Echinococcus granulosus histone arginine methyltransferase CARMER 0.0252 0.3529 0.3503
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0205 0.284 0.2817
Trypanosoma cruzi arginine N-methyltransferase, type I 0.0023 0.0141 0.7509
Loa Loa (eye worm) hypothetical protein 0.0035 0.0319 0.0905
Onchocerca volvulus 0.0035 0.0319 0.0704
Schistosoma mansoni hypothetical protein 0.0019 0.0092 0.006
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0016 0.004 0.0511
Brugia malayi Chain A, Human Glyoxalase Ii With Cacodylate And Acetate Ions Present In The Active Site. 0.0019 0.0092 0.0262
Echinococcus granulosus BC026374 protein S09 family 0.0035 0.0319 0.028
Echinococcus granulosus para nitrobenzyl esterase 0.0035 0.0319 0.028
Brugia malayi hypothetical protein 0.0023 0.0141 0.0401
Echinococcus granulosus neuroligin 0.0035 0.0319 0.028
Echinococcus multilocularis acetylcholinesterase 0.0205 0.284 0.2811
Loa Loa (eye worm) jmjC domain-containing protein 0.0025 0.0178 0.0503
Schistosoma mansoni zinc phosphodiesterase 0.0019 0.0092 0.006
Trypanosoma brucei Protein arginine N-methyltransferase 1 catalytic subunit 0.0023 0.0141 0.0859
Mycobacterium tuberculosis Conserved protein 0.0019 0.0092 0.0787
Echinococcus multilocularis JmjC domain containing protein 4 0.0025 0.0178 0.0138
Echinococcus multilocularis protein arginine N methyltransferase 7 0.0023 0.0141 0.0102
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0029 0.023 0.019
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0047 0.0509 0.0471
Echinococcus multilocularis cpg binding protein 0.0032 0.0283 0.0244
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0025 0.0178 1
Echinococcus multilocularis phd:f box containing protein 0.0025 0.0178 0.0138
Mycobacterium tuberculosis Beta lactamase like protein 0.0019 0.0092 0.0787
Trichomonas vaginalis protein arginine N-methyltransferase, putative 0.0023 0.0141 0.0152
Trichomonas vaginalis set domain proteins, putative 0.0237 0.3315 1
Echinococcus granulosus acetylcholinesterase 0.0205 0.284 0.2811
Echinococcus granulosus lysine specific demethylase 5A 0.0098 0.1249 0.1214
Trichomonas vaginalis protein arginine N-methyltransferase, putative 0.0023 0.0141 0.0152
Schistosoma mansoni hydroxyacylglutathione hydrolase (Glyoxalase II) (Glx II) 0.0019 0.0092 0.006
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0154 0.2086 0.2054
Plasmodium falciparum cytosolic glyoxalase II 0.0019 0.0092 0.2646
Schistosoma mansoni protein arginine n-methyltransferase 0.0252 0.3529 0.3507
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0704 1
Echinococcus granulosus PHD finger protein rhinoceros 0.0029 0.0237 0.0198
Schistosoma mansoni hypothetical protein 0.0023 0.0141 0.0109
Echinococcus multilocularis zinc phosphodiesterase 0.0019 0.0092 0.0052
Brugia malayi Pre-SET motif family protein 0.003 0.0257 0.0728
Trypanosoma cruzi protein arginine n-methyltransferase 7 0.0023 0.0141 0.7509
Brugia malayi jmjC domain containing protein 0.0098 0.1249 0.354
Echinococcus multilocularis lysine specific demethylase 6a 0.0025 0.0178 0.0138
Treponema pallidum ribonuclease Z 0.0019 0.0092 0.5
Onchocerca volvulus 0.0035 0.0319 0.0704
Loa Loa (eye worm) hypothetical protein 0.0023 0.0141 0.0401
Loa Loa (eye worm) hypothetical protein 0.0035 0.0319 0.0905
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0062 0.0723 0.0692
Echinococcus multilocularis acetylcholinesterase 0.0205 0.284 0.2811
Schistosoma mansoni jumonji domain containing protein 0.0134 0.1796 0.1769
Echinococcus granulosus metallo beta lactamase domain containing protein 0.0019 0.0092 0.0052
Schistosoma mansoni hypothetical protein 0.0021 0.0112 0.0079
Echinococcus multilocularis metallo beta lactamase domain containing protein 0.0019 0.0092 0.0052

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 4.921 Inhibition of Pseudomonas aeruginosa IMP1 metallo-beta-lactamase 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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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