Detailed information for compound 1225027

Basic information

Technical information
  • TDR Targets ID: 1225027
  • Name: 2-[[5-(phenylmethylsulfanyl)-1,3,4-oxadiazol- 2-yl]methyl]pyridine
  • MW: 283.348 | Formula: C15H13N3OS
  • H donors: 0 H acceptors: 3 LogP: 3.01 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: c1ccc(cc1)CSc1nnc(o1)Cc1ccccn1
  • InChi: 1S/C15H13N3OS/c1-2-6-12(7-3-1)11-20-15-18-17-14(19-15)10-13-8-4-5-9-16-13/h1-9H,10-11H2
  • InChiKey: SZOXYPNXZWTEBN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[5-(phenylmethylthio)-1,3,4-oxadiazol-2-yl]methyl]pyridine
  • 2-[[5-(benzylthio)-1,3,4-oxadiazol-2-yl]methyl]pyridine
  • 2-(5-Benzylsulfanyl-[1,3,4]oxadiazol-2-ylmethyl)-pyridine
  • MLS000068375
  • SMR000006335

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens RAB9A, member RAS oncogene family Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens Niemann-Pick disease, type C1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus expressed conserved protein Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus multilocularis Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma japonicum ko:K07003 Niemann Pick type C1, putative Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus granulosus Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Entamoeba histolytica Niemann-Pick C1 protein, putative Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma japonicum Niemann-Pick C1 protein precursor, putative Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus multilocularis expressed conserved protein Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus granulosus Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma japonicum Niemann-Pick C1 protein precursor, putative Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus multilocularis Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma mansoni niemann-pick C1 (NPC1) Get druggable targets OG5_128206 All targets in OG5_128206
Brugia malayi Niemann-Pick C1 protein precursor Get druggable targets OG5_128206 All targets in OG5_128206
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Candida albicans potential membrane protein similar to S. cerevisiae NCR1 (YPL006W) and human NPC1 late endosomal protein involved in sterol home Get druggable targets OG5_128206 All targets in OG5_128206
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128206 All targets in OG5_128206
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum ras-related protein Rab-5B RAB9A, member RAS oncogene family 201 aa 165 aa 30.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0951 0.098
Loa Loa (eye worm) hypothetical protein 0.0043 0.0951 0.261
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0046 0.1032 0.0939
Trypanosoma brucei unspecified product 0.0022 0.0279 0.1939
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0316 0.0677
Loa Loa (eye worm) hypothetical protein 0.0023 0.0316 0.0615
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0022 0.0279 0.024
Trichomonas vaginalis DNA polymerase eta, putative 0.0022 0.0279 0.0287
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0316 0.019
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0951 0.0882
Schistosoma mansoni tar DNA-binding protein 0.0072 0.184 0.1808
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.076 0.0783
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.004 0.0838 0.7838
Mycobacterium ulcerans lipase LipD 0.0043 0.0951 0.0854
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0046 0.1032 0.0997
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0279 0.1523
Loa Loa (eye worm) hypothetical protein 0.0025 0.0376 0.0803
Onchocerca volvulus 0.0057 0.1384 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0133 0.0042
Brugia malayi beta-lactamase family protein 0.0043 0.0951 0.2659
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.005 0.1161 0.1127
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0111 0.3072 0.927
Echinococcus granulosus cpg binding protein 0.0061 0.1486 0.1452
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0279 0.1939
Schistosoma mansoni tar DNA-binding protein 0.0072 0.184 0.1808
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0017 0.012 0.0066
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0022 0.0279 0.0182
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0279 0.1939
Loa Loa (eye worm) hypothetical protein 0.0043 0.0951 0.261
Loa Loa (eye worm) hypothetical protein 0.0017 0.0133 0.0042
Loa Loa (eye worm) hypothetical protein 0.0119 0.3304 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.012 0.0124
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0279 0.1939
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0316 0.188
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0111 0.3072 0.9274
Brugia malayi TAR-binding protein 0.0072 0.184 0.5431
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.005 0.1161 0.2917
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0531 0.0547
Brugia malayi hypothetical protein 0.0025 0.0376 0.0864
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.076 0.0783
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.004 0.0838 0.0736
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0279 0.1523
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.005 0.1161 1
Echinococcus multilocularis ornithine aminotransferase 0.0046 0.1032 0.0997
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0017 0.012 0.0081
Schistosoma mansoni hypothetical protein 0.0049 0.1129 0.1094
Mycobacterium ulcerans hypothetical protein 0.0043 0.0951 0.0854
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0951 0.0854
Mycobacterium ulcerans glutamate-1-semialdehyde aminotransferase 0.0046 0.1032 0.0939
Schistosoma mansoni cpg binding protein 0.0057 0.1384 0.135
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0521 0.0537
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0316 0.019
Toxoplasma gondii ABC1 family protein 0.0043 0.0951 0.2206
Mycobacterium tuberculosis Probable ornithine aminotransferase (N-terminus part) RocD1 (ornithine--oxo-acid aminotransferase) 0.0046 0.1032 0.0967
Echinococcus multilocularis protein dispatched 1 0.0058 0.1411 0.1378
Brugia malayi Niemann-Pick C1 protein precursor 0.0119 0.3304 1
Mycobacterium tuberculosis Conserved protein 0.0043 0.0951 0.0882
Echinococcus granulosus sterol regulatory element binding protein 0.0051 0.1187 0.1152
Loa Loa (eye worm) hypothetical protein 0.0043 0.0951 0.261
Schistosoma mansoni ap endonuclease 0.004 0.0838 0.0802
Leishmania major DNA polymerase kappa, putative 0.0022 0.0279 0.1523
Brugia malayi hypothetical protein 0.0117 0.3251 0.9834
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0951 0.098
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0279 0.1523
Trichomonas vaginalis ap endonuclease, putative 0.004 0.0838 0.0863
Loa Loa (eye worm) beta-lactamase 0.0043 0.0951 0.261
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.012 0.0124
Brugia malayi RNA recognition motif domain containing protein 0.0072 0.184 0.5431
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0951 0.0882
Schistosoma mansoni hypothetical protein 0.0035 0.0695 0.0658
Giardia lamblia GTOR 0.005 0.1161 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0376 0.2695
Mycobacterium tuberculosis Conserved hypothetical protein 0.0022 0.0279 0.0182
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.004 0.0838 0.7838
Brugia malayi RNA binding protein 0.0072 0.184 0.5431
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0279 0.1939
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.004 0.0842 0.6934
Onchocerca volvulus 0.0043 0.0951 0.5949
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0951 0.7983
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0017 0.012 0.0081
Loa Loa (eye worm) hypothetical protein 0.0043 0.0951 0.261
Schistosoma mansoni DNA polymerase eta 0.0022 0.0279 0.024
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0316 0.019
Schistosoma mansoni ap endonuclease 0.004 0.0838 0.0802
Plasmodium falciparum ornithine aminotransferase 0.0046 0.1032 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.004 0.0838 0.7046
Schistosoma mansoni hypothetical protein 0.0035 0.0695 0.0658
Mycobacterium leprae PROBABLE GLUTAMATE-1-SEMIALDEHYDE 2,1-AMINOMUTASE HEML (GSA) (GLUTAMATE-1-SEMIALDEHYDE AMINOTRANSFERASE) (GSA-AT) 0.0046 0.1032 0.0763
Echinococcus granulosus Niemann Pick C1 protein 0.017 0.4896 0.4876
Echinococcus multilocularis dna polymerase eta 0.0022 0.0279 0.024
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0279 0.1939
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.004 0.0838 0.0764
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0951 0.098
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0951 0.0882
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0951 0.2659
Mycobacterium tuberculosis Conserved protein 0.0043 0.0951 0.0882
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0951 0.0882
Brugia malayi F/Y-rich N-terminus family protein 0.0018 0.0141 0.0132
Loa Loa (eye worm) hypothetical protein 0.0022 0.0279 0.0498
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0316 0.188
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0951 0.0882
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0531 0.0547
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.0316 0.0123
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0018 0.0148 0.011
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0841 0.0866
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0022 0.0279 0.0287
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0316 0.019
Toxoplasma gondii histone lysine methyltransferase SET1 0.0109 0.2984 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0018 0.0148 0.011
Schistosoma mansoni hypothetical protein 0.0333 1 1
Echinococcus granulosus Protein patched homolog 1 0.0051 0.1187 0.1152
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0279 0.1939
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.005 0.1161 1
Mycobacterium leprae Probable lipase LipE 0.0043 0.0951 0.0677
Mycobacterium ulcerans ornithine aminotransferase RocD1 and RocD2 0.0046 0.1032 0.0939
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0316 0.0677
Echinococcus multilocularis tar DNA binding protein 0.0072 0.184 0.1808
Echinococcus multilocularis GPCR, family 2 0.0035 0.0695 0.0658
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0022 0.0279 0.024
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.005 0.1161 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0022 0.0279 0.0498
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0022 0.0279 0.024
Trichomonas vaginalis esterase, putative 0.0043 0.0951 0.098
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0841 0.0866
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0072 0.184 0.54
Schistosoma mansoni hypothetical protein 0.0076 0.1971 0.194
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0531 0.0547
Loa Loa (eye worm) hypothetical protein 0.0051 0.1187 0.3349
Mycobacterium ulcerans L-lysine aminotransferase 0.0046 0.1032 0.0939
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.004 0.0838 0.6894
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.004 0.0838 0.0802
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0841 0.0866
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0022 0.0279 0.1523
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0951 0.91
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0441 0.0454
Mycobacterium tuberculosis Conserved protein 0.0043 0.0951 0.0882
Echinococcus multilocularis sterol regulatory element binding protein 0.0051 0.1187 0.1152
Schistosoma mansoni cpg binding protein 0.0061 0.1486 0.1452
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0439 0.0453
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0046 0.1032 1
Echinococcus multilocularis geminin 0.0333 1 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0951 0.0916
Mycobacterium tuberculosis Probable aminotransferase 0.0324 0.9706 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0316 0.0123
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0951 0.0916
Brugia malayi latrophilin 2 splice variant baaae 0.0076 0.1971 0.5842
Loa Loa (eye worm) hypothetical protein 0.0023 0.0316 0.0615
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0316 0.0677
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0046 0.1032 0.0939
Schistosoma mansoni tar DNA-binding protein 0.0072 0.184 0.1808
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0316 0.0221
Mycobacterium ulcerans beta-lactamase 0.0043 0.0951 0.0854
Trichomonas vaginalis ap endonuclease, putative 0.004 0.0838 0.0863
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0021 0.0245 0.1635
Brugia malayi ImpB/MucB/SamB family protein 0.0022 0.0279 0.0561
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.076 0.0783
Trypanosoma cruzi target of rapamycin kinase 3 0.004 0.0842 0.6934
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0035 0.0695 0.0658
Brugia malayi exodeoxyribonuclease III family protein 0.004 0.0838 0.2305
Schistosoma mansoni hypothetical protein 0.0035 0.0695 0.0658
Toxoplasma gondii exonuclease III APE 0.004 0.0838 0.1771
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0046 0.1032 0.2516
Echinococcus multilocularis Niemann Pick C1 protein 0.017 0.4896 0.4876
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.076 0.0783
Onchocerca volvulus 0.0043 0.0951 0.5949
Echinococcus multilocularis Aminotransferase class III 0.0046 0.1032 0.0997
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0046 0.1032 0.2911
Trypanosoma cruzi DNA polymerase eta, putative 0.0022 0.0279 0.1523
Mycobacterium tuberculosis Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase) 0.0046 0.1032 0.0967
Brugia malayi beta-lactamase family protein 0.0043 0.0951 0.2659
Mycobacterium leprae Probable 4-aminobutyrate aminotransferase GabT (GAMMA-AMINO-N-BUTYRATE TRANSAMINASE) (GABA TRANSAMINASE) (GLUTAMATE:SUCCINIC SEM 0.0046 0.1032 0.0763
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0521 0.0537
Echinococcus granulosus ornithine aminotransferase 0.0046 0.1032 0.0997
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.012 0.0124
Schistosoma mansoni hypothetical protein 0.0035 0.0695 0.0658
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0279 0.1939
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.004 0.0838 0.6336
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0017 0.012 0.0491
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0932 0.096
Echinococcus granulosus Niemann Pick C1 protein 0.0119 0.3304 0.3278
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.012 0.0124
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0316 0.0221
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0035 0.0695 0.0658
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0951 0.0854
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0024 0.0336 0.2459
Trichomonas vaginalis conserved hypothetical protein 0.0051 0.1187 0.1223
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0035 0.0695 0.1859
Echinococcus multilocularis Niemann Pick C1 protein 0.0119 0.3304 0.3278
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0035 0.0695 0.0658
Echinococcus granulosus GPCR family 2 0.0035 0.0695 0.0658
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0279 0.1939
Mycobacterium tuberculosis Probable glutamate-1-semialdehyde 2,1-aminomutase HemL (GSA) (glutamate-1-semialdehyde aminotransferase) (GSA-at) 0.0046 0.1032 0.0967
Mycobacterium ulcerans acetylornithine aminotransferase 0.0046 0.1032 0.0939
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.005 0.1161 0.1127
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0117 0.3251 0.3224
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0279 0.1939
Trichomonas vaginalis PIKK family atypical protein kinase 0.0013 0.0015 0.0015
Echinococcus granulosus expressed conserved protein 0.0112 0.3079 0.3052
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0279 0.1939
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.004 0.0838 0.6894
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0441 0.0454
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.004 0.0838 0.2254
Brugia malayi CHE-14 protein 0.0051 0.1187 0.3393
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0439 0.0453
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0133 0.0031
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0441 0.0454
Loa Loa (eye worm) hypothetical protein 0.0076 0.1971 0.5815
Brugia malayi CXXC zinc finger family protein 0.0057 0.1384 0.4009
Treponema pallidum exodeoxyribonuclease (exoA) 0.004 0.0838 0.5
Trypanosoma brucei target of rapamycin kinase 3, putative 0.004 0.0842 0.7084
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0951 0.0882
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0376 0.2695
Loa Loa (eye worm) hypothetical protein 0.0017 0.0133 0.0042
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0439 0.0453
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0376 0.2826
Schistosoma mansoni terminal deoxycytidyl transferase 0.0022 0.0279 0.024
Schistosoma mansoni hypothetical protein 0.0117 0.3251 0.3224
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.005 0.1161 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0695 0.1805
Loa Loa (eye worm) TAR-binding protein 0.0072 0.184 0.54
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0051 0.1187 0.3349
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0279 0.1939
Entamoeba histolytica hypothetical protein 0.0117 0.3251 0.9824
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0951 0.0916
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0841 0.0866
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0951 0.0916
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0951 0.098
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0119 0.3304 1
Echinococcus multilocularis cpg binding protein 0.0061 0.1486 0.1452
Echinococcus multilocularis dna polymerase kappa 0.0022 0.0279 0.024
Mycobacterium ulcerans hypothetical protein 0.0324 0.9706 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0612 0.063
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0376 0.2695
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.005 0.1161 0.3315
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0951 0.261
Mycobacterium ulcerans DNA polymerase IV 0.0022 0.0279 0.0152
Schistosoma mansoni hypothetical protein 0.0049 0.1129 0.1094
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.8262 0.8496
Loa Loa (eye worm) hypothetical protein 0.0062 0.1545 0.4474
Loa Loa (eye worm) CXXC zinc finger family protein 0.0057 0.1384 0.3969
Echinococcus granulosus dna polymerase eta 0.0022 0.0279 0.024
Echinococcus multilocularis ornithine aminotransferase 0.0046 0.1032 0.0997
Entamoeba histolytica hypothetical protein 0.0117 0.3251 0.9824
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.004 0.0838 0.0802
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.005 0.1161 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0441 0.0454
Mycobacterium ulcerans DNA polymerase IV 0.0022 0.0279 0.0152
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0951 0.0882
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0324 0.9706 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0117 0.3251 0.3224
Loa Loa (eye worm) histone methyltransferase 0.0018 0.0148 0.0088
Leishmania major hypothetical protein, conserved 0.0025 0.0376 0.2456
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.004 0.0838 0.6894
Loa Loa (eye worm) latrophilin receptor protein 2 0.0035 0.0695 0.1805
Echinococcus granulosus Aminotransferase class III 0.0046 0.1032 0.0997
Entamoeba histolytica hypothetical protein 0.0117 0.3251 0.9824
Schistosoma mansoni patched 1 0.0051 0.1187 0.1152
Schistosoma mansoni tar DNA-binding protein 0.0072 0.184 0.1808
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0035 0.0695 0.0658
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0951 0.0677
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.005 0.1161 0.2917
Echinococcus granulosus tar DNA binding protein 0.0072 0.184 0.1808
Onchocerca volvulus 0.0043 0.0951 0.5949
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.076 0.0783
Loa Loa (eye worm) hypothetical protein 0.0043 0.0951 0.261
Toxoplasma gondii target of rapamycin (TOR), putative 0.0037 0.076 0.1472
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0376 0.2456
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0316 0.0123
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.076 0.0783
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0324 0.9706 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0316 0.019
Loa Loa (eye worm) phosphatidylinositol 3 0.005 0.1161 0.327
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.076 0.0783
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0279 0.1523
Echinococcus multilocularis expressed conserved protein 0.0112 0.3079 0.3052
Schistosoma mansoni tar DNA-binding protein 0.0072 0.184 0.1808
Mycobacterium tuberculosis Probable acetylornithine aminotransferase ArgD 0.0046 0.1032 0.0967
Schistosoma mansoni transcription factor LCR-F1 0.0117 0.3251 0.3224
Echinococcus granulosus dna polymerase kappa 0.0022 0.0279 0.024
Mycobacterium ulcerans hypothetical protein 0.0023 0.0316 0.019
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.005 0.1161 0.1127
Trichomonas vaginalis PIKK family atypical protein kinase 0.005 0.1161 0.1196
Trichomonas vaginalis PIKK family atypical protein kinase 0.005 0.1161 0.1196
Schistosoma mansoni hypothetical protein 0.0049 0.1129 0.1094
Schistosoma mansoni hypothetical protein 0.0333 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0279 0.1939
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0841 0.0866
Brugia malayi beta-lactamase 0.0043 0.0951 0.2659
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0046 0.1032 1
Trypanosoma brucei DNA polymerase eta, putative 0.0022 0.0279 0.1939
Loa Loa (eye worm) hypothetical protein 0.0017 0.0133 0.0042
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0316 0.019
Plasmodium vivax ornithine aminotransferase, putative 0.0046 0.1032 1
Leishmania major hypothetical protein, conserved 0.0043 0.0951 0.7983
Mycobacterium leprae Probable Acetylornithine aminotransferase ArgD 0.0046 0.1032 0.0763
Loa Loa (eye worm) hypothetical protein 0.0017 0.0133 0.0042
Entamoeba histolytica exodeoxyribonuclease III, putative 0.004 0.0838 0.1848
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0121 0.3362 0.3335
Loa Loa (eye worm) hypothetical protein 0.0043 0.0951 0.261
Schistosoma mansoni hypothetical protein 0.0049 0.1129 0.1094
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0951 0.098
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0017 0.012 0.0081
Echinococcus multilocularis protein patched 0.0051 0.1187 0.1152
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0316 0.188
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0324 0.9706 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0316 0.0615
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0017 0.012 0.0491
Leishmania major DNA polymerase eta, putative 0.0022 0.0279 0.1523
Brugia malayi ImpB/MucB/SamB family protein 0.0022 0.0279 0.0561
Loa Loa (eye worm) RNA binding protein 0.0072 0.184 0.54
Loa Loa (eye worm) hypothetical protein 0.0111 0.3072 0.927
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0951 0.8082
Brugia malayi Latrophilin receptor protein 2 0.0035 0.0695 0.1859
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0324 0.9706 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0316 0.019
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0645 0.0665
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0279 0.1939
Schistosoma mansoni cpg binding protein 0.0061 0.1486 0.1452
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0122 0.339 0.3364
Trichomonas vaginalis PIKK family atypical protein kinase 0.005 0.1161 0.1196
Brugia malayi Calcitonin receptor-like protein seb-1 0.0111 0.3072 0.9274
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.012 0.0124
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0376 0.2456
Entamoeba histolytica hypothetical protein 0.0117 0.3251 0.9824
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.005 0.1161 1
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0951 0.7983

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 2.5119 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) = 2.5119 um PUBCHEM_BIOASSAY: qHTS Assay for NPC1 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5962 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: Inhibitors of TCP-1 ring complex (TRiC) of Methanococcus maripaludis (MmCpn): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488991] ChEMBL. No reference
Potency (functional) 23.9341 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (binding) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] 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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