Detailed information for compound 1427058

Basic information

Technical information
  • TDR Targets ID: 1427058
  • Name: N-(2-methoxyphenyl)-5-methyl-2-(phenylmethyls ulfanyl)-7-thiophen-2-yl-1,7-dihydro-[1,2,4]t riazolo[1,5-a]pyrimidine-6-carboxamide
  • MW: 489.612 | Formula: C25H23N5O2S2
  • H donors: 2 H acceptors: 3 LogP: 5.07 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1NC(=O)C1=C(C)Nc2n(C1c1cccs1)nc(n2)SCc1ccccc1
  • InChi: 1S/C25H23N5O2S2/c1-16-21(23(31)27-18-11-6-7-12-19(18)32-2)22(20-13-8-14-33-20)30-24(26-16)28-25(29-30)34-15-17-9-4-3-5-10-17/h3-14,22H,15H2,1-2H3,(H,27,31)(H,26,28,29)
  • InChiKey: IBVMLFRDKCSIRY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2-methoxyphenyl)-5-methyl-2-(phenylmethylsulfanyl)-7-(2-thienyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
  • N-(2-methoxyphenyl)-5-methyl-2-(phenylmethylthio)-7-(2-thienyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
  • 2-(benzylthio)-N-(2-methoxyphenyl)-5-methyl-7-(2-thienyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
  • Oprea1_108957
  • C118-0389
  • NCGC00104337-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens mechanistic target of rapamycin (serine/threonine kinase) Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Equus caballus Ferritin light chain Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania infantum target of rapamycin (TOR) kinase 2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans frameshifted from upstream TOR2 CDS (CaP19.1905) Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans similar to internal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) protein/phosphatidylinositol kinases involved in n Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma congolense Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Trypanosoma brucei gambiense phosphatidylinositol 3-kinase tor, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus multilocularis FKBP12 rapamycin complex associated protein Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania infantum target of rapamycin (TOR) kinase 1, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans similar to internal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) protein/phosphatidylinositol kinases involved in n Get druggable targets OG5_127212 All targets in OG5_127212
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Trypanosoma congolense Phosphatidylinositol 3-kinase tor2 Get druggable targets OG5_127212 All targets in OG5_127212
Loa Loa (eye worm) phosphatidylinositol 3 Get druggable targets OG5_127212 All targets in OG5_127212
Giardia lamblia GTOR Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania braziliensis target of rapamycin (TOR) kinase 2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans similar to N terminal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) putative protein/phosphatidylinositol kinases in Get druggable targets OG5_127212 All targets in OG5_127212
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Candida albicans frameshifted from upsteam TOR2 CDS (CaP19.9461) Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus granulosus FKBP12 rapamycin complex associated protein Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania donovani Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania major target of rapamycin (TOR) kinase 1, putative Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania major target of rapamycin (TOR) kinase 2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania donovani Phosphatidylinositol 3-kinase tor2 Get druggable targets OG5_127212 All targets in OG5_127212
Toxoplasma gondii target of rapamycin (TOR), putative Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum ko:K07203 FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei phosphatidylinositol 4-kinase, putative Get druggable targets OG5_127212 All targets in OG5_127212
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein Get druggable targets OG5_127212 All targets in OG5_127212
Neospora caninum Phosphatidylinositol 3-kinase tor2, related Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania mexicana phosphatidylinositol 3-kinase (tor2)-like protein Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans similar to N terminal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) putative protein/phosphatidylinositol kinases in Get druggable targets OG5_127212 All targets in OG5_127212
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Leishmania mexicana phosphatidylinositol 3 kinase, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei gambiense phosphatidylinositol 3 kinase, putative Get druggable targets OG5_127212 All targets in OG5_127212
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0054 0.156 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0649 0.0649
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.1155 0.1155
Giardia lamblia GTOR 0.0054 0.156 0.5
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0026 0.0518 0.207
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0896 0.1041
Toxoplasma gondii ABC1 family protein 0.0043 0.1167 1
Schistosoma mansoni tar DNA-binding protein 0.019 0.6491 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0764 0.0764
Schistosoma mansoni hypothetical protein 0.0063 0.1895 0.2641
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0753 0.0753
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.1155 0.1155
Onchocerca volvulus 0.0043 0.1167 0.0297
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0063 0.1895 0.2641
Loa Loa (eye worm) hypothetical protein 0.0043 0.1167 0.1336
Loa Loa (eye worm) phosphatidylinositol 3 0.0018 0.0246 0.0282
Echinococcus multilocularis GPCR, family 2 0.0063 0.1895 0.2641
Loa Loa (eye worm) hypothetical protein 0.0043 0.1167 0.1336
Loa Loa (eye worm) hypothetical protein 0.0036 0.0896 0.1026
Brugia malayi latrophilin 2 splice variant baaae 0.0137 0.4578 0.5102
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.8736 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0651 0.0651
Loa Loa (eye worm) hypothetical protein 0.0043 0.1167 0.1336
Loa Loa (eye worm) hypothetical protein 0.0043 0.1167 0.1336
Loa Loa (eye worm) hypothetical protein 0.0201 0.689 0.7887
Brugia malayi Isocitrate dehydrogenase 0.0032 0.0738 0.0579
Toxoplasma gondii isocitrate dehydrogenase 0.0032 0.0738 0.6326
Loa Loa (eye worm) TAR-binding protein 0.019 0.6491 0.743
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0054 0.156 0.2103
Toxoplasma gondii target of rapamycin (TOR), putative 0.004 0.1053 0.9028
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0764 0.0764
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0032 0.0738 0.3745
Brugia malayi beta-lactamase 0.0043 0.1167 0.1084
Schistosoma mansoni hypothetical protein 0.0137 0.4578 0.6937
Plasmodium vivax hypothetical protein, conserved 0.0043 0.1167 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0054 0.156 1
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.1167 0.0478
Onchocerca volvulus 0.0043 0.1167 0.0297
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0896 0.1041
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.156 0.156
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0054 0.156 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0866 0.0866
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.1167 0.7008
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.1167 0.1167
Mycobacterium ulcerans lipase LipD 0.0043 0.1167 0.5
Toxoplasma gondii isocitrate dehydrogenase 0.0032 0.0738 0.6326
Plasmodium vivax SET domain protein, putative 0.0036 0.0896 0.3688
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.1167 0.0478
Schistosoma mansoni hypothetical protein 0.0063 0.1895 0.2641
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0054 0.156 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0896 0.1041
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0054 0.156 0.2103
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0023 0.0404 0.1204
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.1167 0.7008
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0032 0.0738 0.0788
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.1167 0.1474
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0054 0.156 0.5
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0043 0.1157 0.6934
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0896 0.1041
Mycobacterium ulcerans hypothetical protein 0.0043 0.1167 0.5
Loa Loa (eye worm) isocitrate dehydrogenase 0.0032 0.0738 0.0845
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.1155 0.1155
Brugia malayi Calcitonin receptor-like protein seb-1 0.0201 0.689 0.7826
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0032 0.0738 0.3745
Loa Loa (eye worm) latrophilin receptor protein 2 0.0063 0.1895 0.217
Mycobacterium tuberculosis Conserved protein 0.0043 0.1167 0.0478
Onchocerca volvulus 0.0043 0.1167 0.0297
Schistosoma mansoni hypothetical protein 0.0063 0.1895 0.2641
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0063 0.1895 0.2641
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0246 0.0246
Loa Loa (eye worm) beta-lactamase 0.0043 0.1167 0.1336
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0896 0.1041
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0909 0.0909
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0201 0.689 0.7887
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0054 0.156 0.2103
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.1167 0.1474
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0054 0.156 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.1053 0.1053
Echinococcus multilocularis tar DNA binding protein 0.019 0.6491 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0032 0.0738 0.0788
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0063 0.1895 0.1942
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0649 0.0649
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.1167 0.1084
Loa Loa (eye worm) RNA binding protein 0.019 0.6491 0.743
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0246 0.0246
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.1167 0.5
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0032 0.0738 0.3745
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.1167 0.1336
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0054 0.156 1
Brugia malayi RNA binding protein 0.019 0.6491 0.7356
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.1167 0.1167
Schistosoma mansoni tar DNA-binding protein 0.019 0.6491 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0063 0.1895 0.2641
Loa Loa (eye worm) hypothetical protein 0.0043 0.1167 0.1336
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.1167 0.0478
Mycobacterium leprae Probable lipase LipE 0.0043 0.1167 0.5
Loa Loa (eye worm) phosphatidylinositol 3 0.0054 0.156 0.1785
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.1167 0.1167
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0651 0.0651
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0896 0.1041
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.1155 0.1155
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.1167 0.7008
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.1053 0.1053
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.1167 0.5
Echinococcus granulosus tar DNA binding protein 0.019 0.6491 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0649 0.0649
Trichomonas vaginalis esterase, putative 0.0043 0.1167 0.1167
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.1167 0.0478
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0848 0.0964
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0753 0.0753
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.1167 0.1474
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0063 0.1895 0.2641
Brugia malayi isocitrate dehydrogenase 0.0032 0.0738 0.0579
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0032 0.0738 0.5
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.1167 0.0478
Schistosoma mansoni hypothetical protein 0.0063 0.1895 0.2641
Loa Loa (eye worm) hypothetical protein 0.0043 0.1167 0.1336
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0246 0.0246
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0764 0.0764
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.1167 0.1167
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0054 0.156 1
Brugia malayi RNA recognition motif domain containing protein 0.019 0.6491 0.7356
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.1053 0.1053
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.1053 0.1053
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.156 0.156
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0201 0.689 0.7826
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0246 0.0246
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.1053 0.1053
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0032 0.0738 0.0788
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.1167 0.1474
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0896 0.1041
Brugia malayi TAR-binding protein 0.019 0.6491 0.7356
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.1167 0.0478
Schistosoma mansoni tar DNA-binding protein 0.019 0.6491 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.019 0.6491 0.743
Brugia malayi beta-lactamase family protein 0.0043 0.1167 0.1084
Brugia malayi Latrophilin receptor protein 2 0.0063 0.1895 0.1942
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.1155 0.1155
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0651 0.0651
Mycobacterium tuberculosis Conserved protein 0.0043 0.1167 0.0478
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0896 0.7681
Echinococcus multilocularis isocitrate dehydrogenase 0.0032 0.0738 0.0788
Brugia malayi Pre-SET motif family protein 0.0036 0.0896 0.0766
Leishmania major hypothetical protein, conserved 0.0043 0.1167 0.7008
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0054 0.156 0.1547
Brugia malayi Pre-SET motif family protein 0.0251 0.8736 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.1053 0.1053
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.1053 0.1053
Trypanosoma cruzi target of rapamycin kinase 3 0.0043 0.1157 0.6934
Trichomonas vaginalis PIKK family atypical protein kinase 0.0015 0.0114 0.0114
Trichomonas vaginalis set domain proteins, putative 0.0286 1 1
Mycobacterium tuberculosis Conserved protein 0.0043 0.1167 0.0478
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0032 0.0738 0.3745
Schistosoma mansoni tar DNA-binding protein 0.019 0.6491 1
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0032 0.0738 0.0788
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0651 0.0651
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0043 0.1157 0.6934
Brugia malayi beta-lactamase family protein 0.0043 0.1167 0.1084
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.1167 0.0478
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.9699 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.1167 0.1167
Loa Loa (eye worm) hypothetical protein 0.0137 0.4578 0.5241
Mycobacterium ulcerans beta-lactamase 0.0043 0.1167 0.5
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0032 0.0738 0.3745
Schistosoma mansoni tar DNA-binding protein 0.019 0.6491 1
Mycobacterium leprae conserved hypothetical protein 0.0043 0.1167 0.5
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0032 0.0738 0.0788
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.156 0.156
Loa Loa (eye worm) hypothetical protein 0.0063 0.1895 0.217
Echinococcus granulosus GPCR family 2 0.0063 0.1895 0.2641
Trichomonas vaginalis PIKK family atypical protein kinase 0.0046 0.1271 0.1271
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0246 0.0246
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0032 0.0738 0.0788

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.7943 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) = 4.4668 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) 6.3096 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 10 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (binding) = 11.2202 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
Potency (functional) 13.0918 uM PubChem BioAssay. Acumen qHTS Assay for Inhibitors of the mTORC1 Signaling Pathway in MEF (Tsc2-/-, p53-/-) Cells: Hit Validation. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.7491 uM PUBCHEM_BIOASSAY: Acumen qHTS Assay for Inhibitors of the mTORC1 Signaling Pathway in MEF (Tsc2-/-, p53-/-) Cells: Sytravon. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2660, AID2666, AID2667, AID2668, AID2681, AID504465] ChEMBL. No reference
Potency (functional) 56.2341 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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.