Detailed information for compound 1459558

Basic information

Technical information
  • TDR Targets ID: 1459558
  • Name: 2-(4-methoxyphenyl)-N-(4-methyl-5-oxochromeno [3,4-e]pyridin-2-yl)acetamide
  • MW: 374.389 | Formula: C22H18N2O4
  • H donors: 1 H acceptors: 3 LogP: 3.44 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)CC(=O)Nc1cc(C)c2c(n1)c1ccccc1oc2=O
  • InChi: 1S/C22H18N2O4/c1-13-11-18(23-19(25)12-14-7-9-15(27-2)10-8-14)24-21-16-5-3-4-6-17(16)28-22(26)20(13)21/h3-11H,12H2,1-2H3,(H,23,24,25)
  • InChiKey: UNDDXMPGFXYSLT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(4-methoxyphenyl)-N-(4-methyl-5-oxo-chromeno[3,4-e]pyridin-2-yl)acetamide
  • 2-(4-methoxyphenyl)-N-(4-methyl-5-oxo-2-chromeno[3,4-e]pyridinyl)acetamide
  • N-(5-keto-4-methyl-chromeno[3,4-e]pyridin-2-yl)-2-(4-methoxyphenyl)acetamide
  • 2-(4-methoxyphenyl)-N-(4-methyl-5-oxo-chromeno[3,4-e]pyridin-2-yl)ethanamide
  • ZINC04108160
  • MLS000101701
  • SMR000018522

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens karyopherin (importin) beta 1 No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens snurportin 1 No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum Importin subunit beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma congolense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi Importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania major importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi Inositol-1 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
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 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
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium falciparum importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Importin subunit beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative 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
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma congolense 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
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis myo inositol monophosphatase, 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
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania infantum importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium yoelii importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Plasmodium vivax importin-beta 2, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
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
Plasmodium knowlesi importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania donovani importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis importin beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Leishmania major 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
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania mexicana importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
Babesia bovis importin beta subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania braziliensis importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei gambiense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni importin beta-1 Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Cryptosporidium hominis importin-beta2 Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Entamoeba histolytica myo-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 brucei gambiense inositol-1(or 4)-monophosphatase 1, 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
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 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
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 306 aa 22.5 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
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 300 aa 22.0 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0044 0.0044
Echinococcus granulosus transient receptor potential cation channel 0.0008 0.0009 0.0009
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0303 0.019
Loa Loa (eye worm) hypothetical protein 0.0012 0.0044 0.0044
Echinococcus multilocularis snurportin 1 0.0372 0.3025 0.3025
Loa Loa (eye worm) hypothetical protein 0.0043 0.0303 0.0303
Schistosoma mansoni importin beta-1 0.0035 0.0231 0.0231
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0044 0.0044
Echinococcus multilocularis transient receptor potential cation channel 0.0723 0.5941 0.5941
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0303 0.0303
Plasmodium falciparum alpha/beta hydrolase, putative 0.0049 0.0348 0.0177
Schistosoma mansoni fatty-acid amide hydrolase 0.1213 1 1
Mycobacterium ulcerans amidase 0.0146 0.1156 0.1307
Trypanosoma brucei Alpha/beta hydrolase family, putative 0.0049 0.0348 0.0177
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.083 0.6825 1
Plasmodium falciparum lysophospholipase, putative 0.083 0.6825 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0044 0.0044
Schistosoma mansoni fatty-acid amide hydrolase 0.0146 0.1156 0.1156
Mycobacterium ulcerans amidase 0.0146 0.1156 0.1307
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0303 0.0303
Trichomonas vaginalis conserved hypothetical protein 0.083 0.6825 1
Echinococcus multilocularis glutamyl tRNA(Gln) amidotransferase subunit A 0.0146 0.1156 0.1156
Entamoeba histolytica hypothetical protein 0.0049 0.0348 0.0258
Echinococcus granulosus fatty acid amide hydrolase 1 0.1213 1 1
Trypanosoma brucei fatty-acid amide hydrolase, putative 0.0146 0.1156 0.1402
Mycobacterium tuberculosis Probable amidase AmiB2 (aminohydrolase) 0.0146 0.1156 0.1346
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0044 0.0044
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0044 0.0035
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0044 0.0044
Plasmodium falciparum lysophospholipase, putative 0.0049 0.0348 0.0177
Plasmodium falciparum esterase, putative 0.0049 0.0348 0.0177
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase 0.0049 0.0348 0.0258
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase 0.0049 0.0348 0.0258
Brugia malayi Inositol-1 0.0045 0.0312 0.0303
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.083 0.6825 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0044 0.0044
Loa Loa (eye worm) hypothetical protein 0.0049 0.0348 0.0348
Echinococcus granulosus abhydrolase domain containing 3 0.0049 0.0348 0.0348
Echinococcus granulosus importin subunit beta 1 0.0035 0.0231 0.0231
Entamoeba histolytica hypothetical protein 0.0049 0.0348 0.0258
Brugia malayi MGC83647 protein 0.0049 0.0348 0.0339
Mycobacterium leprae PROBABLE AMIDASE AMIC (AMINOHYDROLASE) 0.0146 0.1156 0.1346
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.8064 0.8064
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0044 0.0044
Toxoplasma gondii hydrolase, alpha/beta fold family protein 0.0049 0.0348 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0044 0.0035
Mycobacterium ulcerans amidase 0.0146 0.1156 0.1307
Trichomonas vaginalis conserved hypothetical protein 0.0049 0.0348 0.0258
Trichomonas vaginalis lipase containing protein, putative 0.0165 0.1315 0.1712
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.0312 0.0312
Treponema pallidum aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0146 0.1156 0.5
Loa Loa (eye worm) lipase 0.0165 0.1315 0.1315
Trypanosoma cruzi Alpha/beta hydrolase family, putative 0.0049 0.0348 0.0258
Trichomonas vaginalis inositol monophosphatase, putative 0.0045 0.0312 0.0204
Loa Loa (eye worm) hypothetical protein 0.1213 1 1
Toxoplasma gondii peptidase S15, putative 0.0049 0.0348 1
Schistosoma mansoni inositol monophosphatase 0.0045 0.0312 0.0312
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0044 0.0044
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0303 0.0303
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.0312 0.0312
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0045 0.0312 0.0014
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0044 0.0035
Trypanosoma cruzi hypothetical protein, conserved 0.0165 0.1315 0.1712
Mycobacterium tuberculosis Possible lysophospholipase 0.083 0.6825 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0303 0.0045
Mycobacterium tuberculosis Probable amidase AmiC (aminohydrolase) 0.0146 0.1156 0.1346
Plasmodium falciparum esterase, putative 0.083 0.6825 1
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0044 0.0044
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0044 0.0035
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase 0.0049 0.0348 0.0258
Trypanosoma brucei lipase domain protein, putative 0.0165 0.1315 0.1643
Schistosoma mansoni glutamyl-tRNA(Gln) amidotransferase subunit A 0.0146 0.1156 0.1156
Mycobacterium tuberculosis Probable amidase AmiA2 (aminohydrolase) 0.0146 0.1156 0.1346
Plasmodium falciparum exported lipase 2 0.0049 0.0348 0.0177
Mycobacterium leprae Probable lipase LipE 0.0043 0.0303 0.0045
Schistosoma mansoni coup transcription factor 0.0012 0.0044 0.0044
Brugia malayi Protein C20orf22 0.0049 0.0348 0.0339
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0044 0.0044
Schistosoma mansoni family S9 unassigned peptidase (S09 family) 0.0049 0.0348 0.0348
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.083 0.6825 1
Plasmodium falciparum lysophospholipase, putative 0.083 0.6825 1
Trypanosoma brucei monoglyceride lipase, putative 0.083 0.6825 1
Onchocerca volvulus 0.0043 0.0303 0.204
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0044 0.0044
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.083 0.6825 1
Plasmodium falciparum lysophospholipase, putative 0.0049 0.0348 0.0177
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0312 0.0204
Mycobacterium ulcerans hypothetical protein 0.0049 0.0348 0.0069
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0044 0.0044
Trichomonas vaginalis valacyclovir hydrolase, putative 0.083 0.6825 1
Plasmodium vivax lysophospholipase, putative 0.0049 0.0348 0.0177
Plasmodium falciparum alpha/beta hydrolase, putative 0.0049 0.0348 0.0177
Echinococcus granulosus snurportin 1 0.0372 0.3025 0.3025
Mycobacterium ulcerans aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0146 0.1156 0.1307
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0049 0.0348 0.0258
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0049 0.0348 0.0258
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0044 0.0044
Echinococcus multilocularis fatty acid amide hydrolase 1 0.1213 1 1
Trichomonas vaginalis esterase, putative 0.0043 0.0303 0.019
Mycobacterium ulcerans lysophospholipase 0.083 0.6825 1
Brugia malayi Amidase family protein 0.0146 0.1156 0.1147
Mycobacterium ulcerans peptide amidase, GatA 0.0146 0.1156 0.1307
Brugia malayi RNA, U transporter 1 0.0099 0.0764 0.0755
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0044 0.0044
Toxoplasma gondii phospholipase/carboxylesterase 0.0049 0.0348 1
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.083 0.6825 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0303 0.019
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0303 0.0045
Plasmodium vivax lysophospholipase, putative 0.0049 0.0348 0.0177
Loa Loa (eye worm) amidase 0.0146 0.1156 0.1156
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0303 0.0303
Brugia malayi nuclear hormone receptor 0.0012 0.0044 0.0035
Mycobacterium tuberculosis Conserved hypothetical protein 0.0049 0.0348 0.0114
Brugia malayi Amidase family protein 0.0146 0.1156 0.1147
Plasmodium falciparum alpha/beta hydrolase, putative 0.0049 0.0348 0.0177
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0312 0.0123
Leishmania major hypothetical protein, conserved 0.0049 0.0348 0.0258
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0303 0.0045
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 0.3025 0.3025
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0303 0.0045
Brugia malayi beta-lactamase family protein 0.0043 0.0303 0.0294
Mycobacterium tuberculosis Conserved protein 0.0043 0.0303 0.0045
Brugia malayi nuclear receptor NHR-88 0.0012 0.0044 0.0035
Loa Loa (eye worm) inositol-1 0.0045 0.0312 0.0312
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0044 0.0044
Trypanosoma cruzi monoglyceride lipase, putative 0.083 0.6825 1
Chlamydia trachomatis glutamyl-tRNA(Gln) amidotransferase subunit A 0.0146 0.1156 1
Brugia malayi beta-lactamase 0.0043 0.0303 0.0294
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0303 0.019
Toxoplasma gondii hypothetical protein 0.0049 0.0348 1
Trypanosoma cruzi Serine peptidase, Clan SC, Family S09X, putative 0.0049 0.0348 0.0258
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0044 0.0035
Leishmania major monoglyceride lipase, putative 0.083 0.6825 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0044 0.0044
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0303 0.0303
Mycobacterium leprae PROBABLE GLUTAMYL-TRNA(GLN) AMIDOTRANSFERASE (SUBUNIT A) GATA (Glu-ADT SUBUNIT A) 0.0146 0.1156 0.1346
Loa Loa (eye worm) hypothetical protein 0.0049 0.0348 0.0348
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE 0.083 0.6825 1
Onchocerca volvulus 0.0043 0.0303 0.204
Loa Loa (eye worm) hypothetical protein 0.0043 0.0303 0.0303
Loa Loa (eye worm) hypothetical protein 0.0012 0.0044 0.0044
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0044 0.0044
Plasmodium vivax PST-A protein 0.083 0.6825 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0044 0.0044
Schistosoma mansoni peptidase 0.0049 0.0348 0.0348
Mycobacterium tuberculosis Possible amidase (aminohydrolase) 0.0146 0.1156 0.1346
Trichomonas vaginalis conserved hypothetical protein 0.083 0.6825 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0049 0.0348 0.0258
Trypanosoma brucei monoglyceride lipase, putative 0.083 0.6825 1
Schistosoma mansoni inositol monophosphatase 0.0045 0.0312 0.0312
Plasmodium falciparum prodrug activation and resistance esterase 0.0049 0.0348 0.0177
Loa Loa (eye worm) hypothetical protein 0.0043 0.0303 0.0303
Plasmodium falciparum exported lipase 1 0.0049 0.0348 0.0177
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0044 0.0035
Trichomonas vaginalis conserved hypothetical protein 0.0049 0.0348 0.0258
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase 0.0049 0.0348 0.0258
Plasmodium falciparum esterase, putative 0.0049 0.0348 0.0177
Trichomonas vaginalis conserved hypothetical protein 0.0049 0.0348 0.0258
Echinococcus granulosus abhydrolase domain containing protein 13 0.0049 0.0348 0.0348
Loa Loa (eye worm) hypothetical protein 0.0049 0.0348 0.0348
Brugia malayi beta-lactamase family protein 0.0043 0.0303 0.0294
Schistosoma mansoni transient receptor potential channel 0.0008 0.0009 0.0009
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0044 0.0035
Echinococcus granulosus Phospholipase carboxylesterase 0.0049 0.0348 0.0348
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0303 0.019
Plasmodium falciparum alpha/beta hydrolase fold domain containing protein, putative 0.0049 0.0348 0.0177
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0044 0.0035
Trypanosoma brucei Serine peptidase, Clan SC, Family S09X 0.0049 0.0348 0.0177
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase 0.0049 0.0348 0.0258
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0044 0.0044
Trypanosoma cruzi hypothetical protein, conserved 0.0165 0.1315 0.1712
Echinococcus multilocularis ankyrin repeat protein 0.0715 0.5874 0.5874
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0044 0.0044
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0044 0.0044
Loa Loa (eye worm) hypothetical protein 0.0012 0.0044 0.0044
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0044 0.0035
Toxoplasma gondii hypothetical protein 0.0049 0.0348 1
Plasmodium vivax unspecified product 0.0049 0.0348 0.0177
Plasmodium vivax PST-A protein 0.0049 0.0348 0.0177
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0303 0.0109
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0312 0.0204
Mycobacterium tuberculosis Probable amidase AmiD (acylamidase) (acylase) 0.0146 0.1156 0.1346
Leishmania major hypothetical protein, conserved 0.0043 0.0303 0.019
Plasmodium vivax PST-A protein 0.0049 0.0348 0.0177
Toxoplasma gondii hydrolase, alpha/beta fold family protein 0.0049 0.0348 1
Schistosoma mansoni hypothetical protein 0.0372 0.3025 0.3025
Trichomonas vaginalis lipase containing protein, putative 0.0165 0.1315 0.1712
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0312 0.0204
Brugia malayi MGC79044 protein 0.0049 0.0348 0.0339
Toxoplasma gondii hypothetical protein 0.0049 0.0348 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0044 0.0044
Echinococcus multilocularis Phospholipase carboxylesterase 0.0049 0.0348 0.0348
Plasmodium falciparum alpha/beta hydrolase, putative 0.0049 0.0348 0.0177
Plasmodium vivax PST-A protein 0.0049 0.0348 0.0177
Loa Loa (eye worm) amidase 0.0146 0.1156 0.1156
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0303 0.0045
Echinococcus granulosus fatty acid amide hydrolase 1 0.1213 1 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0044 0.0044
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0303 0.0045
Echinococcus granulosus sn1 specific diacylglycerol lipase beta 0.0165 0.1315 0.1315
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0049 0.0348 0.0258
Schistosoma mansoni amidase 0.1213 1 1
Trypanosoma brucei Alpha/beta hydrolase family, putative 0.0049 0.0348 0.0177
Brugia malayi steroid hormone receptor 0.0012 0.0044 0.0035
Echinococcus multilocularis fatty acid amide hydrolase 1 0.1213 1 1
Mycobacterium ulcerans amidase 0.0146 0.1156 0.1307
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0044 0.0044
Trypanosoma cruzi amidase, putative 0.0146 0.1156 0.1473
Brugia malayi ecdysteroid receptor 0.0012 0.0044 0.0035
Plasmodium falciparum epoxide hydrolase 2 0.0049 0.0348 0.0177
Brugia malayi Importin beta-1 subunit 0.0035 0.0231 0.0222
Schistosoma mansoni transient receptor potential cation channel subfamily A member 0.0715 0.5874 0.5874
Onchocerca volvulus 0.0165 0.1315 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0303 0.0303
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0044 0.0044
Trypanosoma cruzi Alpha/beta hydrolase family, putative 0.0049 0.0348 0.0258
Schistosoma mansoni family S9 unassigned peptidase (S09 family) 0.0049 0.0348 0.0348
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0303 0.0045
Wolbachia endosymbiont of Brugia malayi aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0146 0.1156 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0044 0.0044
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0044 0.0044
Plasmodium falciparum alpha/beta-hydrolase, putative 0.0049 0.0348 0.0177
Loa Loa (eye worm) hypothetical protein 0.0049 0.0348 0.0348
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.083 0.6825 1
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0044 0.0044
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0044 0.0044
Leishmania major Bem46-like serine peptidase,Serine peptidase, Clan SC, Family S09X 0.0049 0.0348 0.0258
Mycobacterium ulcerans hydrolase 0.0049 0.0348 0.0069
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0044 0.0035
Trichomonas vaginalis conserved hypothetical protein 0.0049 0.0348 0.0258
Giardia lamblia Cgi67 serine protease precursor-like protein 0.0049 0.0348 0.5
Toxoplasma gondii phospholipase 0.0049 0.0348 1
Trypanosoma cruzi serine peptidase, putative 0.0049 0.0348 0.0258
Onchocerca volvulus 0.0043 0.0303 0.204
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0044 0.0044
Mycobacterium tuberculosis Conserved protein 0.0043 0.0303 0.0045
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0303 0.019
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0044 0.0035
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0303 0.0045
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0044 0.0044
Plasmodium vivax PST-A protein 0.0049 0.0348 0.0177
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.2246 0.3011
Leishmania major hypothetical protein, conserved 0.0146 0.1156 0.1473
Plasmodium vivax hypothetical protein, conserved 0.0049 0.0348 0.0177
Trypanosoma cruzi Alpha/beta hydrolase family, putative 0.0049 0.0348 0.0258
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0044 0.0044
Loa Loa (eye worm) hypothetical protein 0.0012 0.0044 0.0044
Plasmodium vivax alpha/beta hydrolase, putative 0.0049 0.0348 0.0177
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0044 0.0044
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0044 0.0044
Plasmodium vivax lysophospholipase, putative 0.0049 0.0348 0.0177
Plasmodium vivax hypothetical protein, conserved 0.0049 0.0348 0.0177
Loa Loa (eye worm) hypothetical protein 0.0043 0.0303 0.0303
Plasmodium falciparum alpha/beta hydrolase, putative 0.0049 0.0348 0.0177
Echinococcus multilocularis monoacylglycerol lipase abhd12 0.0049 0.0348 0.0348
Trichomonas vaginalis conserved hypothetical protein 0.0049 0.0348 0.0258
Trypanosoma cruzi amidase, putative 0.0146 0.1156 0.1473
Echinococcus granulosus glutamyl tRNAGln amidotransferase subunit A 0.0146 0.1156 0.1156
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0303 0.019
Loa Loa (eye worm) beta-lactamase 0.0043 0.0303 0.0303
Toxoplasma gondii esterase/lipase/thioesterase domain-containing protein 0.0049 0.0348 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0044 0.0035
Plasmodium falciparum lysophospholipase, putative 0.083 0.6825 1
Mycobacterium ulcerans hypothetical protein 0.0049 0.0348 0.0069
Brugia malayi putative amidase 0.0146 0.1156 0.1147
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.083 0.6825 1
Trichomonas vaginalis conserved hypothetical protein 0.0049 0.0348 0.0258
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0312 0.0204
Plasmodium vivax alpha/beta hydrolase, putative 0.0049 0.0348 0.0177
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0044 0.0035
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0049 0.0348 0.0258
Trypanosoma brucei lipase domain protein, putative 0.0165 0.1315 0.1643
Leishmania major hypothetical protein, conserved 0.0049 0.0348 0.0258
Trichomonas vaginalis conserved hypothetical protein 0.0049 0.0348 0.0258
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0044 0.0035
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0303 0.019
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0044 0.0044
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0044 0.0044
Loa Loa (eye worm) hypothetical protein 0.0049 0.0348 0.0348
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0044 0.0044
Plasmodium vivax glutamyl-tRNA(Gln) amidotransferase subunit A, putative 0.0146 0.1156 0.1402
Leishmania major hypothetical protein, conserved 0.0165 0.1315 0.1712
Echinococcus multilocularis short transient receptor potential channel 6 0.0008 0.0009 0.0009
Echinococcus multilocularis sn1 specific diacylglycerol lipase beta 0.0165 0.1315 0.1315
Plasmodium falciparum glutamyl-tRNA(Gln) amidotransferase subunit A 0.0146 0.1156 0.1402
Loa Loa (eye worm) hypothetical protein 0.0043 0.0303 0.0303
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0303 0.0294
Echinococcus granulosus short transient receptor potential channel 6 0.0008 0.0009 0.0009
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0044 0.0035
Mycobacterium ulcerans hypothetical protein 0.083 0.6825 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0044 0.0044
Echinococcus granulosus ankyrin repeat protein 0.0715 0.5874 0.5874
Echinococcus multilocularis importin subunit beta 1 0.0035 0.0231 0.0231
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0044 0.0044
Mycobacterium ulcerans amidase 0.0146 0.1156 0.1307
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.0312 0.694
Plasmodium vivax hypothetical protein, conserved 0.0049 0.0348 0.0177
Echinococcus granulosus monoacylglycerol lipase abhd12 0.0049 0.0348 0.0348
Plasmodium falciparum BEM46-like protein, putative 0.0049 0.0348 0.0177
Trypanosoma cruzi hydrolase, alpha/beta fold family, putative 0.0049 0.0348 0.0258
Trichomonas vaginalis conserved hypothetical protein 0.0049 0.0348 0.0258
Trichomonas vaginalis conserved hypothetical protein 0.0049 0.0348 0.0258
Loa Loa (eye worm) hypothetical protein 0.0008 0.0009 0.0009
Echinococcus multilocularis abhydrolase domain containing 3 0.0049 0.0348 0.0348
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0044 0.0035
Mycobacterium tuberculosis Conserved protein 0.0043 0.0303 0.0045
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0303 0.0109
Plasmodium vivax PST-A protein 0.0049 0.0348 0.0177
Toxoplasma gondii hypothetical protein 0.0049 0.0348 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0044 0.0044
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0044 0.0044
Loa Loa (eye worm) hypothetical protein 0.0035 0.0231 0.0231
Brugia malayi Lipase family protein 0.0165 0.1315 0.1307
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0045 0.0312 0.0204
Plasmodium vivax unspecified product 0.0049 0.0348 0.0177
Toxoplasma gondii protein c14orf29, putative 0.0049 0.0348 1
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0312 0.0204
Entamoeba histolytica ;Alias 0.0049 0.0348 0.0258
Echinococcus multilocularis transient receptor potential cation channel 0.0008 0.0009 0.0009
Trypanosoma cruzi serine peptidase, putative 0.0049 0.0348 0.0258
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0146 0.1156 0.1156
Echinococcus granulosus transient receptor potential cation channel 0.0722 0.5932 0.5932
Loa Loa (eye worm) hypothetical protein 0.0012 0.0044 0.0044
Toxoplasma gondii ABC1 family protein 0.0043 0.0303 0.6143
Echinococcus granulosus fatty acid amide hydrolase 1 0.0146 0.1156 0.1156

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.1122 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 1.4125 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) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] ChEMBL. No reference
Potency (functional) 4.6109 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) = 6.2842 um PUBCHEM_BIOASSAY: Concentration response confirmation assay for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) [Related pubchem assays: 2551 (Primary screen tested at 6 concentrations from 46 uM to 3 nM)] ChEMBL. No reference
Potency (functional) 8.9125 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.0703 um PUBCHEM_BIOASSAY: Concentration response confirmation VP16 counterscreen for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) [Related pubchem assays: 2546 (Primary counterscreen tested in the VP16 cell line at 6 concentrations from 46 uM to 3 nM)] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 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

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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