Detailed information for compound 1292714

Basic information

Technical information
  • TDR Targets ID: 1292714
  • Name: 2-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-3 ,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazi ne hydrochloride
  • MW: 302.804 | Formula: C12H23ClN6O
  • H donors: 0 H acceptors: 3 LogP: 0.39 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCn1nnnc1CN1CCN2C(C1)CCC2.Cl
  • InChi: 1S/C12H22N6O.ClH/c1-19-8-7-18-12(13-14-15-18)10-16-5-6-17-4-2-3-11(17)9-16;/h11H,2-10H2,1H3;1H
  • InChiKey: RFAAYDILGPOVDF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[[1-(2-methoxyethyl)-5-tetrazolyl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine hydrochloride
  • 2-[[1-(2-methoxyethyl)-1,2,3,4-tetrazol-5-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine hydrochloride
  • SMR000003978
  • 2-[1-(2-Methoxy-ethyl)-1H-tetrazol-5-ylmethyl]-octahydro-pyrrolo[1,2-a]pyrazine
  • MLS000033614

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
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
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
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) DNA-binding protein D-ETS-3 0.0021 0.0102 0.0186
Brugia malayi beta-lactamase family protein 0.0043 0.0392 0.0677
Toxoplasma gondii ABC1 family protein 0.0043 0.0392 0.2701
Brugia malayi Carboxylesterase family protein 0.0074 0.0785 0.1406
Echinococcus multilocularis zinc finger protein 0.0023 0.0127 0.012
Echinococcus granulosus ETS transcription factor Elf 1 0.0021 0.0102 0.0191
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0076 0.0139
Mycobacterium ulcerans beta-lactamase 0.0043 0.0392 1
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0392 0.0952
Echinococcus multilocularis musashi 0.0028 0.0192 0.0185
Echinococcus granulosus histone lysine methyltransferase setb 0.0018 0.007 0.0125
Loa Loa (eye worm) hypothetical protein 0.002 0.0097 0.0178
Onchocerca volvulus 0.0057 0.0563 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0076 0.5
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.007 0.0728 1
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0054 0.007
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.002 0.0097 0.0178
Echinococcus granulosus ETS transcription factor Elf 2 0.0021 0.0102 0.0191
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0408 0.0401
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.002 0.0097 0.0151
Leishmania major hypothetical protein, conserved 0.0043 0.0392 0.5174
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.1328 0.2448
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0014 0.0016 0.0008
Brugia malayi Ets-domain containing protein 0.0021 0.0102 0.014
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0392 0.0952
Schistosoma mansoni hypothetical protein 0.0021 0.0102 0.0159
Echinococcus granulosus Niemann Pick C1 protein 0.0096 0.1069 0.2143
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0392 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0018 0.007 0.0062
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0076 0.5
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.002 0.0097 0.0181
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0235 0.0459
Brugia malayi MH2 domain containing protein 0.0117 0.1328 0.2412
Echinococcus granulosus Protein patched homolog 1 0.0041 0.0365 0.0721
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0076 0.1942
Schistosoma mansoni elf1 0.0021 0.0102 0.0159
Loa Loa (eye worm) hypothetical protein 0.0028 0.0192 0.0353
Echinococcus granulosus lamin dm0 0.0028 0.0192 0.0373
Brugia malayi Ets-domain containing protein 0.0144 0.1675 0.3056
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0026 0.0047
Schistosoma mansoni coup transcription factor 0.002 0.0097 0.0151
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.002 0.0097 0.009
Brugia malayi Nuclear hormone receptor family member nhr-41 0.002 0.0097 0.0131
Schistosoma mansoni hypothetical protein 0.004 0.0346 0.061
Schistosoma mansoni RAR-like nuclear receptor 0.002 0.0097 0.0151
Loa Loa (eye worm) hypothetical protein 0.0013 0.0008 0.0012
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0392 0.0677
Loa Loa (eye worm) hypothetical protein 0.0074 0.0785 0.1447
Loa Loa (eye worm) hypothetical protein 0.0021 0.0102 0.0186
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0097 0.0131
Schistosoma mansoni cpg binding protein 0.0062 0.0629 0.1134
Brugia malayi PHD-finger family protein 0.0028 0.0196 0.0314
Echinococcus granulosus tar DNA binding protein 0.0258 0.3141 0.6325
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0076 0.5
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0392 0.0952
Echinococcus granulosus ETS transcription factor Elf 2 0.0021 0.0102 0.0191
Loa Loa (eye worm) acetylcholinesterase 1 0.0074 0.0785 0.1447
Brugia malayi beta-lactamase 0.0043 0.0392 0.0677
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.007 0.0728 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.002 0.0097 0.0181
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.002 0.0097 0.0178
Echinococcus multilocularis protein patched 0.0041 0.0365 0.0357
Loa Loa (eye worm) hypothetical protein 0.0099 0.1099 0.2025
Brugia malayi nuclear hormone receptor 0.002 0.0097 0.0131
Brugia malayi Bromodomain containing protein 0.0038 0.0326 0.0555
Schistosoma mansoni tar DNA-binding protein 0.0258 0.3141 0.5781
Echinococcus granulosus ecdysone induced protein 78C 0.002 0.0097 0.0181
Brugia malayi Carboxylesterase family protein 0.0074 0.0785 0.1406
Echinococcus granulosus FTZ F1 alpha 0.002 0.0097 0.0181
Onchocerca volvulus 0.0043 0.0392 0.6319
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0392 1
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0026 0.0165 0.0277
Schistosoma mansoni patched 1 0.0041 0.0365 0.0645
Onchocerca volvulus 0.0028 0.0192 0.204
Echinococcus multilocularis muscleblind protein 0.0295 0.3606 0.3601
Brugia malayi Calcitonin receptor-like protein seb-1 0.0099 0.1099 0.1987
Schistosoma mansoni tar DNA-binding protein 0.0258 0.3141 0.5781
Schistosoma mansoni hypothetical protein 0.04 0.4962 0.9149
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0021 0.0102 0.0186
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0014 0.0016 0.0008
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.002 0.0097 0.0178
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.002 0.0097 0.0151
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.0235 0.0459
Loa Loa (eye worm) hypothetical protein 0.002 0.0097 0.0178
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.002 0.0097 0.0151
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0192 0.0307
Loa Loa (eye worm) hypothetical protein 0.0043 0.0392 0.0721
Loa Loa (eye worm) histone methyltransferase 0.0018 0.006 0.0109
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0041 0.0365 0.0671
Echinococcus multilocularis sterol regulatory element binding protein 0.0041 0.0365 0.0357
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0014 0.0016 0.0017
Brugia malayi Muscleblind-like protein 0.0295 0.3606 0.6633
Echinococcus multilocularis protein dispatched 1 0.0047 0.0439 0.0432
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0076 0.0645
Echinococcus multilocularis lamin 0.0028 0.0192 0.0185
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.002 0.0097 0.009
Brugia malayi ecdysteroid receptor 0.002 0.0097 0.0131
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0098 0.1088 0.1983
Echinococcus granulosus muscleblind protein 0.0295 0.3606 0.7262
Loa Loa (eye worm) hypothetical protein 0.0071 0.0741 0.1366
Echinococcus multilocularis ETS transcription factor Elf 2 0.0021 0.0102 0.0095
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0099 0.1099 0.1987
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.007 0.0728 0.13
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0408 0.0809
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0099 0.0182
Echinococcus multilocularis ecdysone induced protein 78C 0.002 0.0097 0.009
Echinococcus granulosus GPCR family 2 0.0031 0.0235 0.0459
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0074 0.0785 0.1423
Brugia malayi Bromodomain containing protein 0.0078 0.0838 0.1503
Schistosoma mansoni hypothetical protein 0.0067 0.0699 0.1263
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.002 0.0097 0.0178
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0392 0.5174
Brugia malayi Nuclear hormone receptor family member nhr-49 0.002 0.0097 0.0131
Trichomonas vaginalis esterase, putative 0.0043 0.0392 1
Schistosoma mansoni cpg binding protein 0.0062 0.0629 0.1134
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0097 0.009
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0408 0.0708
Loa Loa (eye worm) D-ets-2 protein 0.0021 0.0102 0.0186
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0392 0.5174
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0408 0.0401
Echinococcus multilocularis ETS transcription factor Elf 1 0.0021 0.0102 0.0095
Schistosoma mansoni ap endonuclease 0.0019 0.0076 0.0111
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0392 0.0721
Brugia malayi RNA recognition motif domain containing protein 0.0258 0.3141 0.5772
Echinococcus granulosus ewsr:fli fusion protein type 0.0021 0.0102 0.0191
Schistosoma mansoni bromodomain containing protein 0.0067 0.0688 0.1242
Schistosoma mansoni retinoic acid receptor RXR 0.002 0.0097 0.0151
Loa Loa (eye worm) hypothetical protein 0.0043 0.0392 0.0721
Loa Loa (eye worm) hypothetical protein 0.0027 0.0186 0.0341
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0192 0.0353
Echinococcus multilocularis acetylcholinesterase 0.0074 0.0785 0.0778
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0096 0.1069 1
Loa Loa (eye worm) carboxylesterase 0.0074 0.0785 0.1447
Echinococcus multilocularis ets variant gene 4 0.0021 0.0102 0.0095
Brugia malayi Fli-1 protein 0.0436 0.5423 1
Echinococcus granulosus fetal alzheimer antigen falz 0.0026 0.0165 0.0319
Loa Loa (eye worm) CXXC zinc finger family protein 0.0057 0.0563 0.1037
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0076 0.0645
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.007 0.0728 1
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.1328 0.2448
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.002 0.0097 0.0151
Loa Loa (eye worm) hypothetical protein 0.002 0.0097 0.0178
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0392 0.0384
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0392 0.0952
Schistosoma mansoni retinoid-x-receptor (RXR) 0.002 0.0097 0.0151
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0258 0.3141 0.5792
Mycobacterium leprae Probable lipase LipE 0.0043 0.0392 0.5
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.3391 1
Schistosoma mansoni lamin 0.0028 0.0192 0.0326
Loa Loa (eye worm) hypothetical protein 0.0018 0.007 0.0126
Echinococcus multilocularis protein C ets 2 0.0021 0.0102 0.0095
Loa Loa (eye worm) hypothetical protein 0.0041 0.0357 0.0657
Brugia malayi Nuclear hormone receptor-like 1 0.002 0.0097 0.0131
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.002 0.0097 0.009
Schistosoma mansoni Tr4/Tr2 (homologue) 0.002 0.0097 0.0151
Schistosoma mansoni ets-related 0.0021 0.0102 0.0159
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.0054 0.0093
Schistosoma mansoni tar DNA-binding protein 0.0258 0.3141 0.5781
Schistosoma mansoni ets 0.0021 0.0102 0.0159
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0392 0.5
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.007 0.0728 0.1454
Echinococcus multilocularis carboxylesterase 5A 0.0074 0.0785 0.0778
Schistosoma mansoni nuclear hormone receptor 0.002 0.0097 0.0151
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.002 0.0097 0.009
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0392 1
Brugia malayi Steroid receptor seven-up type 2 0.002 0.0097 0.0131
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0296 0.0288
Mycobacterium tuberculosis Conserved protein 0.0043 0.0392 0.0952
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0235 0.0228
Echinococcus granulosus Niemann Pick C1 protein 0.0138 0.1599 0.3212
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.002 0.0097 0.0181
Echinococcus multilocularis ETS transcription factor Elf 2 0.0021 0.0102 0.0095
Schistosoma mansoni thyroid hormone receptor 0.002 0.0097 0.0151
Schistosoma mansoni gabp alpha 0.0144 0.1675 0.3069
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0097 0.0131
Schistosoma mansoni hypothetical protein 0.0031 0.0235 0.0405
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0235 0.0386
Loa Loa (eye worm) fli-1 protein 0.0436 0.5423 1
Echinococcus granulosus intermediate filament protein 0.0028 0.0192 0.0373
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0392 0.0952
Brugia malayi Nuclear hormone receptor family member nhr-1 0.002 0.0097 0.0131
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0076 0.5
Schistosoma mansoni polyomavirus enhancer activator 3 pea3 0.0021 0.0102 0.0159
Brugia malayi Nuclear hormone receptor family member nhr-14 0.002 0.0097 0.0131
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0076 0.1942
Loa Loa (eye worm) RNA binding protein 0.0258 0.3141 0.5792
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0392 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.002 0.0097 0.0178
Schistosoma mansoni hypothetical protein 0.0031 0.0235 0.0405
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0392 0.0952
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0076 0.0069
Brugia malayi photoreceptor-specific nuclear receptor 0.002 0.0097 0.0131
Loa Loa (eye worm) hypothetical protein 0.002 0.0097 0.0178
Loa Loa (eye worm) hypothetical protein 0.0043 0.0392 0.0721
Loa Loa (eye worm) ets-domain-containing protein 0.0021 0.0102 0.0186
Loa Loa (eye worm) hypothetical protein 0.0021 0.0102 0.0186
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.0054 0.0046
Schistosoma mansoni steroid hormone receptor ad4bp 0.002 0.0097 0.0151
Loa Loa (eye worm) hypothetical protein 0.0043 0.0392 0.0721
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0144 0.1675 0.3089
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0392 1
Mycobacterium tuberculosis Conserved protein 0.0043 0.0392 0.0952
Brugia malayi RNA binding protein 0.0258 0.3141 0.5772
Echinococcus granulosus lamin 0.0028 0.0192 0.0373
Schistosoma mansoni thyroid hormone receptor 0.002 0.0097 0.0151
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0097 0.0131
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0365 0.931
Loa Loa (eye worm) beta-lactamase 0.0043 0.0392 0.0721
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0076 0.0138
Loa Loa (eye worm) hypothetical protein 0.0051 0.0484 0.0891
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0392 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0408 0.0809
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.002 0.0097 0.0178
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0076 0.0092
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0192 0.0353
Schistosoma mansoni ap endonuclease 0.0019 0.0076 0.0111
Echinococcus multilocularis tar DNA binding protein 0.0258 0.3141 0.3136
Onchocerca volvulus 0.0028 0.0192 0.204
Echinococcus multilocularis expressed conserved protein 0.0091 0.0994 0.0988
Onchocerca volvulus 0.0043 0.0392 0.6319
Schistosoma mansoni lamin 0.0028 0.0192 0.0326
Echinococcus multilocularis ETS domain containing protein Elk 1 0.0021 0.0102 0.0095
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.007 0.0728 0.1317
Echinococcus granulosus dnaJ subfamily B 0.04 0.4962 1
Brugia malayi TAR-binding protein 0.0258 0.3141 0.5772
Brugia malayi DNA-binding protein D-ETS-3 0.0021 0.0102 0.014
Brugia malayi CHE-14 protein 0.0041 0.0365 0.0627
Loa Loa (eye worm) hypothetical protein 0.0295 0.3606 0.6649
Brugia malayi Ets-domain containing protein 0.0144 0.1675 0.3056
Echinococcus multilocularis lamin dm0 0.0028 0.0192 0.0185
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.007 0.0728 0.6565
Loa Loa (eye worm) hypothetical protein 0.0041 0.0365 0.0671
Loa Loa (eye worm) hypothetical protein 0.0046 0.0423 0.0779
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0392 0.0695
Schistosoma mansoni ets-related 0.0436 0.5423 1
Schistosoma mansoni hypothetical protein 0.0031 0.0235 0.0405
Loa Loa (eye worm) bromodomain containing protein 0.0018 0.0061 0.0112
Loa Loa (eye worm) hypothetical protein 0.0038 0.0327 0.0601
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.007 0.0728 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0235 0.0432
Schistosoma mansoni intermediate filament proteins 0.0028 0.0192 0.0326
Echinococcus multilocularis GPCR, family 2 0.0031 0.0235 0.0228
Loa Loa (eye worm) hypothetical protein 0.0031 0.0235 0.0432
Loa Loa (eye worm) hypothetical protein 0.002 0.0097 0.0178
Schistosoma mansoni hypothetical protein 0.004 0.0346 0.061
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0063 0.0642 0.128
Echinococcus granulosus acetylcholinesterase 0.0074 0.0785 0.157
Echinococcus multilocularis FTZ F1 alpha 0.002 0.0097 0.009
Brugia malayi latrophilin 2 splice variant baaae 0.0067 0.0699 0.1246
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0392 0.0775
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0097 0.0181
Mycobacterium tuberculosis Conserved protein 0.0043 0.0392 0.0952
Brugia malayi beta-lactamase family protein 0.0043 0.0392 0.0677
Echinococcus granulosus GA binding protein alpha chain 0.0144 0.1675 0.3366
Loa Loa (eye worm) steroid hormone receptor 0.002 0.0097 0.0178
Schistosoma mansoni zinc finger protein 0.0015 0.0031 0.0028
Echinococcus granulosus protein C ets 2 0.0021 0.0102 0.0191
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0392 1
Brugia malayi transcription factor E74 isoform 0.0021 0.0102 0.014
Echinococcus multilocularis Niemann Pick C1 protein 0.0138 0.1599 0.1592
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0392 0.5174
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0121 0.1379 0.2522
Echinococcus granulosus mixed lineage leukemia protein mll 0.0014 0.0016 0.0017
Brugia malayi nuclear receptor NHR-88 0.002 0.0097 0.0131
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0018 0.006 0.0053
Loa Loa (eye worm) hypothetical protein 0.0067 0.0699 0.1287
Brugia malayi Nuclear hormone receptor family member nhr-40 0.002 0.0097 0.0131
Echinococcus multilocularis GA binding protein alpha chain 0.0144 0.1675 0.1669
Onchocerca volvulus 0.0043 0.0392 0.6319
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0076 0.0645
Loa Loa (eye worm) hypothetical protein 0.0096 0.1069 0.197
Brugia malayi F/Y-rich N-terminus family protein 0.0019 0.0082 0.0103
Loa Loa (eye worm) hypothetical protein 0.002 0.0097 0.0178
Loa Loa (eye worm) hypothetical protein 0.002 0.0097 0.0178
Brugia malayi CXXC zinc finger family protein 0.0057 0.0563 0.0994
Echinococcus granulosus ETS domain containing protein Elk 1 0.0021 0.0102 0.0191
Echinococcus multilocularis dnaJ subfamily B 0.04 0.4962 0.4959
Schistosoma mansoni hypothetical protein 0.0021 0.0102 0.0159
Echinococcus granulosus cpg binding protein 0.0062 0.0629 0.1255
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0097 0.0131
Echinococcus multilocularis acetylcholinesterase 0.0074 0.0785 0.0778
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0099 0.1099 0.2025
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0097 0.0131
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0408 0.0726
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0408 0.0726
Echinococcus multilocularis cpg binding protein 0.0062 0.0629 0.0622
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0018 0.007 0.0099
Loa Loa (eye worm) hypothetical protein 0.0043 0.0392 0.0721
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0097 0.0181
Brugia malayi intermediate filament protein 0.0028 0.0192 0.0307
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.002 0.0097 0.0181
Toxoplasma gondii histone lysine methyltransferase SET1 0.011 0.1245 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0392 0.0721
Echinococcus multilocularis ewsr:fli fusion protein type 0.0021 0.0102 0.0095
Loa Loa (eye worm) hypothetical protein 0.0123 0.1409 0.2596
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0408 0.0726
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.002 0.0097 0.0178
Brugia malayi steroid hormone receptor 0.002 0.0097 0.0131
Echinococcus multilocularis transcription factor Dp 1 0.004 0.0352 0.0345
Echinococcus multilocularis thyroid hormone receptor alpha 0.002 0.0097 0.009
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0296 0.0581
Echinococcus granulosus carboxylesterase 5A 0.0074 0.0785 0.157
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0076 0.0645
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.0235 0.0228
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.007 0.0728 0.0721
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0392 0.0695
Echinococcus granulosus zinc finger protein 0.0023 0.0127 0.0242
Schistosoma mansoni hypothetical protein 0.004 0.0346 0.061
Brugia malayi Nuclear hormone receptor family member nhr-31 0.002 0.0097 0.0131
Schistosoma mansoni cpg binding protein 0.0057 0.0563 0.1012
Echinococcus granulosus ETS transcription factor Elf 5 0.0021 0.0102 0.0191
Mycobacterium ulcerans lipase LipD 0.0043 0.0392 1
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0392 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0408 0.0752
Loa Loa (eye worm) TAR-binding protein 0.0258 0.3141 0.5792
Schistosoma mansoni hypothetical protein 0.0031 0.0235 0.0405
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0026 0.0165 0.0158
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0018 0.006 0.0107
Loa Loa (eye worm) hypothetical protein 0.002 0.0097 0.0178
Echinococcus granulosus transcription factor Dp 1 0.004 0.0352 0.0695
Mycobacterium ulcerans hypothetical protein 0.0043 0.0392 1
Echinococcus multilocularis Niemann Pick C1 protein 0.0096 0.1069 0.1062
Loa Loa (eye worm) hypothetical protein 0.0074 0.0785 0.1447
Brugia malayi Nuclear hormone receptor family member nhr-3 0.002 0.0097 0.0131
Loa Loa (eye worm) hypothetical protein 0.0295 0.3606 0.6649
Schistosoma mansoni tar DNA-binding protein 0.0258 0.3141 0.5781
Schistosoma mansoni hypothetical protein 0.0021 0.0099 0.0155
Echinococcus granulosus acetylcholinesterase 0.0074 0.0785 0.157
Echinococcus multilocularis muscleblind protein 1 0.0295 0.3606 0.3601
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.007 0.0728 0.1341
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0235 0.0386
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.002 0.0097 0.0181
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0018 0.007 0.0099
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0063 0.0642 0.0635
Echinococcus granulosus sterol regulatory element binding protein 0.0041 0.0365 0.0721
Echinococcus granulosus expressed conserved protein 0.0091 0.0994 0.1992
Echinococcus multilocularis ETS transcription factor Elf 5 0.0021 0.0102 0.0095
Schistosoma mansoni zinc finger protein 0.0023 0.0127 0.0206
Brugia malayi Niemann-Pick C1 protein precursor 0.0096 0.1069 0.1932
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0392 0.0952
Schistosoma mansoni hypothetical protein 0.0015 0.0031 0.0028
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0097 0.009
Schistosoma mansoni hypothetical protein 0.004 0.0346 0.061
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0054 0.007
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0097 0.0131
Schistosoma mansoni tar DNA-binding protein 0.0258 0.3141 0.5781

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 3.1623 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) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.