Detailed information for compound 1419587

Basic information

Technical information
  • TDR Targets ID: 1419587
  • Name: 2-[[4-methyl-5-(naphthalen-2-yloxymethyl)-1,2 ,4-triazol-3-yl]sulfanyl]acetamide
  • MW: 328.389 | Formula: C16H16N4O2S
  • H donors: 1 H acceptors: 3 LogP: 1.97 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=O)CSc1nnc(n1C)COc1ccc2c(c1)cccc2
  • InChi: 1S/C16H16N4O2S/c1-20-15(18-19-16(20)23-10-14(17)21)9-22-13-7-6-11-4-2-3-5-12(11)8-13/h2-8H,9-10H2,1H3,(H2,17,21)
  • InChiKey: XDSMJXYIZYUPEC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[[4-methyl-5-(2-naphthyloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
  • 2-[[4-methyl-5-(2-naphthyloxymethyl)-1,2,4-triazol-3-yl]thio]acetamide
  • 2-[[4-methyl-5-(naphthalen-2-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide
  • ASN 02107033
  • ZINC00422450
  • 2-[4-Methyl-5-(naphthalen-2-yloxymethyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetamide
  • MLS000073114
  • SMR000001627

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K01092 myo-inositol-1(or 4)-monophosphatase [EC3.1.3.25], putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 307 aa 22.5 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 306 aa 22.5 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 300 aa 22.0 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0043 0.0282 0.1042
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0146 0.1141 0.1141
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0282 0.1001
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0033 0.0194 0.0194
Onchocerca volvulus 0.0043 0.0282 0.1992
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0282 0.1042
Loa Loa (eye worm) hypothetical protein 0.0043 0.0282 0.1042
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0076 0.0971
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0146 0.1141 0.1141
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0146 0.1141 0.1141
Brugia malayi MH2 domain containing protein 0.0016 0.0052 0.0193
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0282 0.1001
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0047 0.0047
Schistosoma mansoni tar DNA-binding protein 0.0332 0.2707 0.2707
Schistosoma mansoni smad 0.0016 0.0052 0.0052
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0076 0.0971
Schistosoma mansoni inositol monophosphatase 0.0045 0.0292 0.0292
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0076 0.0131
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0292 0.1047
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0282 0.0282
Schistosoma mansoni smad1 5 8 and 0.0016 0.0052 0.0052
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0076 0.0591
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0249 0.2008 0.7417
Loa Loa (eye worm) MH2 domain-containing protein 0.0237 0.1905 0.7038
Brugia malayi Latrophilin receptor protein 2 0.0079 0.0578 0.2136
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0282 1
Leishmania major hypothetical protein, conserved 0.0043 0.0282 0.4815
Loa Loa (eye worm) RNA binding protein 0.0332 0.2707 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0146 0.1141 0.4215
Brugia malayi Calcitonin receptor-like protein seb-1 0.0249 0.2008 0.7417
Plasmodium falciparum ataxin-2 like protein, putative 0.0074 0.0535 1
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0282 0.1067
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0282 0.1067
Trichomonas vaginalis glutaminase, putative 0.0264 0.2136 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0076 0.0591
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0079 0.0578 0.0578
Loa Loa (eye worm) inositol-1 0.0045 0.0292 0.1077
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0076 0.0971
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0292 0.5009
Schistosoma mansoni hypothetical protein 0.0033 0.0194 0.0194
Echinococcus granulosus Smad4 0.0016 0.0052 0.0052
Trypanosoma brucei unspecified product 0.0019 0.0076 0.0971
Brugia malayi latrophilin 2 splice variant baaae 0.017 0.1346 0.4973
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0076 0.0971
Schistosoma mansoni tar DNA-binding protein 0.0332 0.2707 0.2707
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0282 0.1001
Schistosoma mansoni hypothetical protein 0.017 0.1346 0.1346
Loa Loa (eye worm) hypothetical protein 0.0019 0.0076 0.028
Schistosoma mansoni tar DNA-binding protein 0.0332 0.2707 0.2707
Echinococcus multilocularis smad 0.0016 0.0052 0.0052
Brugia malayi beta-lactamase family protein 0.0043 0.0282 0.1042
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0282 0.1067
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0076 0.0971
Trypanosoma cruzi PAB1-binding protein , putative 0.0074 0.0535 1
Schistosoma mansoni hypothetical protein 0.0079 0.0578 0.0578
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0076 0.0971
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0079 0.0578 0.0578
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0146 0.1141 0.1141
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0016 0.0047 0.0404
Leishmania major DNA polymerase eta, putative 0.0019 0.0076 0.0591
Trypanosoma brucei PAB1-binding protein , putative 0.0074 0.0535 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0292 0.5009
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0045 0.0292 0.1047
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0076 0.0971
Schistosoma mansoni tar DNA-binding protein 0.0332 0.2707 0.2707
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0076 0.0971
Schistosoma mansoni DNA polymerase eta 0.0019 0.0076 0.0076
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0047 0.0173
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0047 0.0047
Schistosoma mansoni Smad4 0.0016 0.0052 0.0052
Echinococcus granulosus tar DNA binding protein 0.0332 0.2707 0.2707
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.0292 0.0292
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0047 0.0047
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0146 0.1141 0.4215
Schistosoma mansoni glutaminase 0.0264 0.2136 0.2136
Mycobacterium leprae Probable lipase LipE 0.0043 0.0282 1
Schistosoma mansoni inositol monophosphatase 0.0045 0.0292 0.0292
Leishmania major DNA polymerase kappa, putative 0.0019 0.0076 0.0591
Loa Loa (eye worm) hypothetical protein 0.0178 0.1416 0.523
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.0076 0.0971
Loa Loa (eye worm) hypothetical protein 0.0043 0.0282 0.1042
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0079 0.0578 0.0578
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0076 0.0076
Schistosoma mansoni smad1 5 8 and 0.0016 0.0052 0.0052
Brugia malayi TAR-binding protein 0.0332 0.2707 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0282 0.0282
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0146 0.1141 0.1141
Trichomonas vaginalis inositol monophosphatase, putative 0.0045 0.0292 0.1047
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0282 0.4815
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0079 0.0578 0.2136
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0282 0.0282
Brugia malayi MH2 domain containing protein 0.0237 0.1905 0.7038
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0282 0.1067
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0292 0.5009
Trypanosoma cruzi PAB1-binding protein , putative 0.0074 0.0535 1
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0076 0.028
Loa Loa (eye worm) beta-lactamase 0.0043 0.0282 0.1042
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0047 0.0047
Loa Loa (eye worm) hypothetical protein 0.0249 0.2008 0.7417
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0282 0.1067
Plasmodium falciparum ataxin-2 like protein, putative 0.0074 0.0535 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0079 0.0578 0.0578
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0076 0.0076
Loa Loa (eye worm) hypothetical protein 0.0043 0.0282 0.1042
Loa Loa (eye worm) hypothetical protein 0.0043 0.0282 0.1042
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0146 0.1141 0.1141
Echinococcus multilocularis tar DNA binding protein 0.0332 0.2707 0.2707
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0332 0.2707 1
Echinococcus multilocularis mothers against decapentaplegic 5 0.0016 0.0052 0.0052
Brugia malayi beta-lactamase family protein 0.0043 0.0282 0.1042
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0076 0.0971
Loa Loa (eye worm) hypothetical protein 0.0074 0.0535 0.1977
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.0292 0.5009
Toxoplasma gondii ABC1 family protein 0.0043 0.0282 0.4815
Brugia malayi Smad1 0.0016 0.0052 0.0193
Brugia malayi isocitrate dehydrogenase 0.0016 0.0047 0.0173
Schistosoma mansoni hypothetical protein 0.0079 0.0578 0.0578
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0076 0.0971
Onchocerca volvulus 0.0043 0.0282 0.1992
Loa Loa (eye worm) glutaminase 0.0264 0.2136 0.7891
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0282 0.1001
Mycobacterium ulcerans hypothetical protein 0.0043 0.0282 0.1001
Schistosoma mansoni hypothetical protein 0.12 1 1
Echinococcus granulosus dna polymerase eta 0.0019 0.0076 0.0076
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0282 0.4815
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0033 0.0194 0.0194
Echinococcus multilocularis geminin 0.12 1 1
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0282 0.5024
Schistosoma mansoni hypothetical protein 0.0079 0.0578 0.0578
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0282 0.1001
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0047 0.0173
Schistosoma mansoni hypothetical protein 0.12 1 1
Plasmodium vivax ataxin-2 like protein, putative 0.0074 0.0535 1
Brugia malayi MH1 domain containing protein 0.0016 0.0052 0.0193
Mycobacterium tuberculosis Conserved protein 0.0043 0.0282 0.1067
Trichomonas vaginalis esterase, putative 0.0043 0.0282 0.1001
Brugia malayi Inositol-1 0.0045 0.0292 0.1077
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.0076 0.0131
Mycobacterium ulcerans glutaminase 0.0264 0.2136 1
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.0076 0.0591
Brugia malayi glutaminase DH11.1 0.0264 0.2136 0.7891
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0047 0.0047
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0282 0.4815
Loa Loa (eye worm) MH2 domain-containing protein 0.0016 0.0052 0.0193
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0282 0.0282
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0076 0.0971
Loa Loa (eye worm) hypothetical protein 0.0043 0.0282 0.1042
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0076 0.028
Giardia lamblia DINP protein human, muc B family 0.0019 0.0076 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0076 0.0591
Echinococcus granulosus dna polymerase kappa 0.0019 0.0076 0.0076
Schistosoma mansoni hypothetical protein 0.0079 0.0578 0.0578
Schistosoma mansoni smad1 5 8 and 0.0016 0.0052 0.0052
Brugia malayi MH1 domain containing protein 0.0016 0.0052 0.0193
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0146 0.1141 0.1141
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0076 0.0971
Echinococcus granulosus mothers against decapentaplegic 5 0.0016 0.0052 0.0052
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0047 0.0404
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0282 0.1067
Loa Loa (eye worm) TAR-binding protein 0.0332 0.2707 1
Echinococcus granulosus smad 0.0016 0.0052 0.0052
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0249 0.2008 0.7417
Loa Loa (eye worm) transcription factor SMAD2 0.0237 0.1905 0.7038
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0282 0.1067
Mycobacterium ulcerans beta-lactamase 0.0043 0.0282 0.1001
Leishmania major hypothetical protein, conserved 0.0074 0.0535 1
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0178 0.1416 1
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0016 0.0052 0.0052
Mycobacterium tuberculosis Conserved protein 0.0043 0.0282 0.1067
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0076 0.0076
Brugia malayi hypothetical protein 0.0074 0.0535 0.1977
Echinococcus multilocularis GPCR, family 2 0.0079 0.0578 0.0578
Brugia malayi RNA binding protein 0.0332 0.2707 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.2251 1
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0047 0.0047
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0047 0.0047
Brugia malayi hypothetical protein 0.0048 0.0316 0.1167
Echinococcus multilocularis dna polymerase eta 0.0019 0.0076 0.0076
Brugia malayi beta-lactamase 0.0043 0.0282 0.1042
Loa Loa (eye worm) hypothetical protein 0.0079 0.0578 0.2136
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0292 0.521
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0076 0.0971
Echinococcus multilocularis Smad4 0.0016 0.0052 0.0052
Loa Loa (eye worm) glutaminase 2 0.0264 0.2136 0.7891
Loa Loa (eye worm) MH1 domain-containing protein 0.0016 0.0052 0.0193
Mycobacterium tuberculosis Conserved protein 0.0043 0.0282 0.1067
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.0292 0.5
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0282 0.1001
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0045 0.0292 1
Brugia malayi MH2 domain containing protein 0.0016 0.0052 0.0193
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0076 0.0076
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.004 0.0252 0.0931
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.0292 0.0292
Trypanosoma cruzi DNA polymerase eta, putative 0.0019 0.0076 0.0591
Loa Loa (eye worm) hypothetical protein 0.017 0.1346 0.4973
Toxoplasma gondii LsmAD domain-containing protein 0.0074 0.0535 1
Echinococcus granulosus TGF beta signal transducer SmadC 0.0016 0.0052 0.0052
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0282 0.1001
Brugia malayi N-terminal motif family protein 0.0178 0.1416 0.523
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0076 0.028
Loa Loa (eye worm) Smad1 0.0016 0.0052 0.0193
Schistosoma mansoni tar DNA-binding protein 0.0332 0.2707 0.2707
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0076 0.0076
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0016 0.0052 0.0052
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0282 0.1042
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0076 0.0591
Brugia malayi RNA recognition motif domain containing protein 0.0332 0.2707 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0079 0.0578 0.2136
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0292 0.1047
Onchocerca volvulus 0.0043 0.0282 0.1992
Echinococcus granulosus GPCR family 2 0.0079 0.0578 0.0578
Mycobacterium ulcerans lipase LipD 0.0043 0.0282 0.1001

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 0.1585 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 17.7828 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) 26.8545 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 (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 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.

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