Detailed information for compound 1478082

Basic information

Technical information
  • TDR Targets ID: 1478082
  • Name: N-(4-methyl-2-oxochromen-7-yl)-2-(2-nitrophen yl)acetamide
  • MW: 338.314 | Formula: C18H14N2O5
  • H donors: 1 H acceptors: 4 LogP: 2.43 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc2c(c1)oc(=O)cc2C
  • InChi: 1S/C18H14N2O5/c1-11-8-18(22)25-16-10-13(6-7-14(11)16)19-17(21)9-12-4-2-3-5-15(12)20(23)24/h2-8,10H,9H2,1H3,(H,19,21)
  • InChiKey: FWTWRHPGEZXZHF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(4-methyl-2-oxo-chromen-7-yl)-2-(2-nitrophenyl)acetamide
  • N-(4-methyl-2-oxo-7-chromenyl)-2-(2-nitrophenyl)acetamide
  • N-(2-keto-4-methyl-chromen-7-yl)-2-(2-nitrophenyl)acetamide
  • N-(4-methyl-2-oxo-chromen-7-yl)-2-(2-nitrophenyl)ethanamide
  • MLS001008053
  • N-(4-methyl-2-oxo-2H-chromen-7-yl)-2-(2-nitrophenyl)acetamide
  • SMR000498272
  • IVK/4006923
  • ZINC04804726

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0043 0.0211 0.0564
Echinococcus multilocularis serine:threonine protein kinase N2 0.0234 0.2202 0.2202
Brugia malayi Variant SH3 domain containing protein 0.0077 0.0561 0.1808
Schistosoma mansoni hypothetical protein 0.0077 0.0561 0.1503
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0211 0.0211
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0086 0.0661 0.1771
Brugia malayi Phorbol esters/diacylglycerol binding domain 0.0209 0.1945 0.6266
Echinococcus multilocularis protein kinase c epsilon type 0.032 0.3104 0.3104
Echinococcus granulosus protein kinase C gamma type 0.0303 0.2927 0.7843
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0211 0.0793
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0086 0.0661 0.1771
Loa Loa (eye worm) hypothetical protein 0.0043 0.0211 0.0564
Loa Loa (eye worm) hypothetical protein 0.0372 0.3643 0.9733
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0211 0.2986
Echinococcus granulosus raf serine:threonine protein kinase 0.0077 0.0561 0.1503
Loa Loa (eye worm) MH2 domain-containing protein 0.0123 0.1038 0.2774
Mycobacterium tuberculosis Conserved protein 0.0043 0.0211 0.0793
Toxoplasma gondii AGC kinase 0.0086 0.0661 1
Brugia malayi Pleckstrin Homology Domain 0.0081 0.0607 0.1955
Onchocerca volvulus 0.0086 0.0658 0.2193
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0386 0.1031
Schistosoma mansoni diacylglycerol kinase theta 0.0077 0.0561 0.1503
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0000067234 0.0001
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.0207 0.1925 0.1925
Echinococcus multilocularis N chimaerin 0.0077 0.0561 0.0561
Loa Loa (eye worm) hypothetical protein 0.0207 0.1925 0.5144
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0211 0.2986
Echinococcus multilocularis myotubularin protein 13 0.0081 0.0607 0.0607
Loa Loa (eye worm) hypothetical protein 0.0041 0.0187 0.0499
Schistosoma mansoni protein kinase C 0.0086 0.0658 0.1763
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0000067234 0.0001
Trypanosoma brucei unspecified product 0.0023 0.0000067234 0.0001
Echinococcus multilocularis protein kinase c eta type 0.0077 0.0561 0.0561
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0000067234 0.0001
Entamoeba histolytica protein kinase, putative 0.0091 0.0707 0.517
Echinococcus multilocularis serine:threonine protein kinase N2 0.0086 0.0661 0.0661
Brugia malayi Protein kinase domain containing protein 0.0086 0.0661 0.213
Schistosoma mansoni protein kinase C mu 0.0209 0.1945 0.5211
Loa Loa (eye worm) Ras association domain family 1 isoform A 0.0077 0.0561 0.1499
Brugia malayi diacylglycerol kinase 0.0077 0.0561 0.1808
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0211 0.0793
Onchocerca volvulus 0.0043 0.0211 0.0592
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0386 0.1244
Loa Loa (eye worm) hypothetical protein 0.0051 0.0287 0.0768
Echinococcus multilocularis unc 13 (munc13) 0.0086 0.0658 0.0658
Onchocerca volvulus 0.0051 0.0287 0.0865
Schistosoma mansoni serine/threonine protein kinase 0.0086 0.0661 0.1771
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0334 0.0334
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0334 0.0334
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0077 0.0561 0.1499
Echinococcus granulosus Protein kinase C brain isozyme 0.038 0.3732 1
Entamoeba histolytica hypothetical protein 0.0043 0.0211 0.1541
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0000067234 0.0003
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0211 0.0793
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0000067234 0.0003
Brugia malayi C1-like domain containing protein 0.0209 0.1945 0.6266
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0211 0.2986
Echinococcus granulosus Serine/threonine-protein kinase Genghis Khan 0.0079 0.0586 0.1569
Echinococcus multilocularis RNA directed DNA polymerase 0.0207 0.1925 0.1925
Schistosoma mansoni hypothetical protein 0.0053 0.0312 0.0835
Schistosoma mansoni vav2 0.0081 0.0607 0.1626
Echinococcus granulosus lamin 0.0028 0.0046 0.0123
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0334 0.1076
Loa Loa (eye worm) hypothetical protein 0.0077 0.0561 0.1499
Trichomonas vaginalis AGC family protein kinase 0.0091 0.0707 1
Entamoeba histolytica protein kinase, putative 0.0086 0.0661 0.4835
Echinococcus multilocularis Rac GTPase activating protein 1 0.0077 0.0561 0.0561
Echinococcus granulosus myotubularin protein 13 0.0081 0.0607 0.1626
Echinococcus granulosus RNA directed DNA polymerase 0.0207 0.1925 0.5159
Loa Loa (eye worm) hypothetical protein 0.0077 0.0561 0.1499
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0211 0.0211
Onchocerca volvulus 0.0295 0.2838 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0033 0.0107 0.0285
Loa Loa (eye worm) hypothetical protein 0.0043 0.0211 0.0564
Loa Loa (eye worm) hypothetical protein 0.0081 0.0607 0.1622
Brugia malayi beta-lactamase family protein 0.0043 0.0211 0.068
Loa Loa (eye worm) hypothetical protein 0.0077 0.0561 0.1499
Loa Loa (eye worm) hypothetical protein 0.0077 0.0561 0.1499
Echinococcus multilocularis musashi 0.0028 0.0046 0.0046
Schistosoma mansoni lamin 0.0028 0.0046 0.0123
Echinococcus multilocularis serine:threonine protein kinase MRCK beta 0.0079 0.0586 0.0586
Loa Loa (eye worm) hypothetical protein 0.0381 0.3743 1
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0211 0.0793
Brugia malayi intermediate filament protein 0.0028 0.0046 0.0148
Loa Loa (eye worm) hypothetical protein 0.0295 0.2838 0.7582
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0046 0.0122
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0000067234 0.0003
Loa Loa (eye worm) AGC/AKT protein kinase 0.0091 0.0707 0.1889
Loa Loa (eye worm) hypothetical protein 0.0284 0.273 0.7294
Echinococcus multilocularis tumor protein p63 0.0347 0.3384 0.3384
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0211 0.068
Onchocerca volvulus 0.013 0.1115 0.3831
Schistosoma mansoni protein kinase C mu 0.0077 0.0561 0.1503
Loa Loa (eye worm) hypothetical protein 0.006 0.0386 0.1031
Schistosoma mansoni diacylglycerol kinase theta 0.0077 0.0561 0.1503
Schistosoma mansoni intermediate filament proteins 0.0028 0.0046 0.0123
Brugia malayi hypothetical protein 0.0043 0.0211 0.0679
Schistosoma mansoni serine/threonine kinase 0.0086 0.0661 0.1771
Echinococcus multilocularis serine threonine protein kinase 0.0303 0.2927 0.2927
Loa Loa (eye worm) hypothetical protein 0.0077 0.0561 0.1499
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0334 0.0895
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0211 0.0565
Echinococcus multilocularis C2 calcium dependent membrane targeting 0.0086 0.0658 0.0658
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0000067234 0.0001
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0334 0.0895
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0000067234 0.0001
Loa Loa (eye worm) hypothetical protein 0.0211 0.1966 0.5253
Loa Loa (eye worm) transcription factor SMAD2 0.0123 0.1038 0.2774
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0211 0.0565
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0000067234 0.0001
Schistosoma mansoni serine/threonine protein kinase 0.0079 0.0586 0.1569
Loa Loa (eye worm) CAMK/PKD protein kinase 0.0132 0.114 0.3046
Brugia malayi beta-lactamase family protein 0.0043 0.0211 0.068
Brugia malayi p70 ribosomal S6 kinase beta 0.0086 0.0661 0.213
Echinococcus multilocularis lamin dm0 0.0028 0.0046 0.0046
Brugia malayi RhoGAP domain containing protein 0.0077 0.0561 0.1808
Trichomonas vaginalis AGC family protein kinase 0.0091 0.0707 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0211 0.2986
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0211 0.0793
Trichomonas vaginalis AGC family protein kinase 0.0086 0.0661 0.9352
Brugia malayi protein kinase C II. 0.032 0.3104 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0000067234 0.0001
Brugia malayi Hr1 repeat family protein 0.0086 0.0661 0.213
Loa Loa (eye worm) AGC/PKN protein kinase 0.0086 0.0661 0.1766
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0000067234 0.0001
Echinococcus multilocularis protein kinase c iota type 0.0163 0.1466 0.1466
Entamoeba histolytica protein kinase, putative 0.0091 0.0707 0.517
Loa Loa (eye worm) hypothetical protein 0.0043 0.0211 0.0564
Echinococcus multilocularis Protein kinase C, brain isozyme 0.038 0.3732 0.3732
Schistosoma mansoni hypothetical protein 0.0041 0.0187 0.05
Loa Loa (eye worm) hypothetical protein 0.0086 0.0658 0.1759
Entamoeba histolytica hypothetical protein 0.0077 0.0561 0.4103
Loa Loa (eye worm) CAMK/PKD protein kinase 0.0209 0.1945 0.5196
Brugia malayi MH2 domain containing protein 0.0123 0.1038 0.3345
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0.0000067234 0.0001
Schistosoma mansoni cellular tumor antigen P53 0.0051 0.0287 0.077
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0077 0.0561 0.1503
Entamoeba histolytica protein kinase, putative 0.0086 0.0661 0.4835
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0000067234 0.0003
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0386 0.1244
Leishmania major DNA polymerase kappa, putative 0.0023 0.0000067234 0.0003
Brugia malayi Protein kinase domain containing protein 0.0091 0.0707 0.2278
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0334 0.0895
Echinococcus multilocularis lamin 0.0028 0.0046 0.0046
Echinococcus multilocularis geminin 0.0174 0.1576 0.1576
Echinococcus granulosus N chimaerin 0.0077 0.0561 0.1503
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0086 0.0661 0.0661
Onchocerca volvulus 0.0207 0.192 0.6714
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0211 0.0793
Brugia malayi diacylglycerol kinase 0.0077 0.0561 0.1808
Brugia malayi Protein kinase domain containing protein 0.0086 0.0661 0.213
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0086 0.0661 0.1766
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0211 1
Echinococcus granulosus lamin dm0 0.0028 0.0046 0.0123
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0211 0.0793
Onchocerca volvulus 0.0211 0.1966 0.6878
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0187 0.0602
Loa Loa (eye worm) AGC/NDR protein kinase 0.0086 0.0661 0.1766
Schistosoma mansoni rac gtpase activating protein 0.0077 0.0561 0.1503
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0086 0.0661 0.1766
Echinococcus granulosus intermediate filament protein 0.0028 0.0046 0.0123
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0211 0.2986
Trypanosoma brucei rac serine-threonine kinase, putative 0.0091 0.0707 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0041 0.0108
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0334 0.0893
Leishmania major DNA polymerase eta, putative 0.0023 0.0000067234 0.0003
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0000067234 0.0003
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0211 1
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0211 1
Loa Loa (eye worm) hypothetical protein 0.0207 0.192 0.5131
Loa Loa (eye worm) hypothetical protein 0.0295 0.2838 0.7582
Schistosoma mansoni serine/threonine protein kinase 0.038 0.3732 1
Mycobacterium ulcerans beta-lactamase 0.0043 0.0211 1
Echinococcus granulosus protein kinase c iota type 0.0163 0.1466 0.3928
Echinococcus granulosus Diacylglycerol kinase theta 0.0077 0.0561 0.1503
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.032 0.3104 0.8293
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0211 0.0564
Loa Loa (eye worm) hypothetical protein 0.0043 0.0211 0.0564
Trichomonas vaginalis AGC family protein kinase 0.0091 0.0707 1
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.0000067234 0.0003
Schistosoma mansoni serine/threonine protein kinase 0.0077 0.0561 0.1503
Loa Loa (eye worm) RasGEF domain-containing protein 0.0077 0.0561 0.1499
Schistosoma mansoni atypical protein kinase C 0.0163 0.1466 0.3928
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0000067234 0.0001
Brugia malayi Protein kinase c protein 2 0.0296 0.2852 0.9188
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0334 0.0895
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0000067234 0.0001
Schistosoma mansoni serine/threonine protein kinase 0.0086 0.0661 0.1771
Trichomonas vaginalis AGC family protein kinase 0.0091 0.0707 1
Echinococcus granulosus Rac GTPase activating protein 1 0.0077 0.0561 0.1503
Loa Loa (eye worm) hypothetical protein 0.0028 0.0046 0.0122
Echinococcus granulosus NDR protein kinase 0.0086 0.0661 0.1771
Echinococcus granulosus unc 13 munc13 0.0086 0.0658 0.1763
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0086 0.0661 0.0661
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0086 0.0661 0.1766
Entamoeba histolytica hypothetical protein 0.0043 0.0211 0.1541
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0211 0.5
Mycobacterium ulcerans hypothetical protein 0.0043 0.0211 1
Brugia malayi Protein kinase domain containing protein 0.0079 0.0586 0.1887
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0077 0.0561 0.1503
Loa Loa (eye worm) raf kinase 0.0077 0.0561 0.1499
Loa Loa (eye worm) hypothetical protein 0.0077 0.0561 0.1499
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0046 0.0122
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0211 0.0565
Trichomonas vaginalis AGC family protein kinase 0.0091 0.0707 1
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0211 0.5
Brugia malayi RhoGAP domain containing protein 0.0077 0.0561 0.1808
Schistosoma mansoni hypothetical protein 0.0174 0.1576 0.4222
Onchocerca volvulus 0.0043 0.0211 0.0592
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0000067234 0.0003
Loa Loa (eye worm) hypothetical protein 0.013 0.1115 0.298
Loa Loa (eye worm) hypothetical protein 0.0043 0.0211 0.0564
Schistosoma mansoni serine/threonine protein kinase 0.0079 0.0586 0.1569
Brugia malayi protein kinase C3,putative 0.0079 0.0586 0.1887
Entamoeba histolytica diacylglycerol kinase, putative 0.0077 0.0561 0.4103
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0211 0.0565
Schistosoma mansoni hypothetical protein 0.0174 0.1576 0.4222
Schistosoma mansoni serine/threonine protein kinase 0.038 0.3732 1
Trichomonas vaginalis AGC family protein kinase 0.0091 0.0707 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0211 0.0565
Onchocerca volvulus 0.0043 0.0211 0.0592
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0086 0.0661 0.0661
Loa Loa (eye worm) hypothetical protein 0.013 0.1115 0.298
Schistosoma mansoni unc-13 (munc13) 0.0086 0.0658 0.1763
Mycobacterium tuberculosis Conserved protein 0.0043 0.0211 0.0793
Brugia malayi Ras association domain family 1 isoform A 0.0077 0.0561 0.1808
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0211 1
Brugia malayi Cytochrome P450 family protein 0.0033 0.0107 0.0343
Loa Loa (eye worm) hypothetical protein 0.0295 0.2838 0.7582
Schistosoma mansoni serine/threonine protein kinase 0.0086 0.0661 0.1771
Mycobacterium leprae Probable lipase LipE 0.0043 0.0211 0.5
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase 0.0219 0.2047 0.5469
Giardia lamblia DINP protein human, muc B family 0.0023 0.0000067234 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0000067234 0.0001
Toxoplasma gondii diacylglycerol kinase, putative 0.0077 0.0561 0.7777
Entamoeba histolytica hypothetical protein 0.0043 0.0211 0.1541
Schistosoma mansoni hypothetical protein 0.0043 0.0211 0.0565
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.2662 1
Echinococcus multilocularis Diacylglycerol kinase theta 0.0077 0.0561 0.0561
Trichomonas vaginalis serine/threonine-protein kinase sgk, putative 0.0084 0.0637 0.9005
Schistosoma mansoni serine/threonine protein kinase 0.032 0.3104 0.8317
Mycobacterium ulcerans lipase LipD 0.0043 0.0211 1
Loa Loa (eye worm) RhoGAP domain-containing protein 0.0077 0.0561 0.1499
Echinococcus granulosus geminin 0.0174 0.1576 0.4222
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0086 0.0661 0.1771
Echinococcus granulosus C2 calcium dependent membrane targeting 0.0086 0.0658 0.1763
Echinococcus granulosus serine:threonine protein kinase N2 0.0086 0.0661 0.1771
Entamoeba histolytica hypothetical protein 0.0043 0.0211 0.1541
Entamoeba histolytica PH domain containing protein kinase, putative 0.0154 0.1367 1
Trichomonas vaginalis AGC family protein kinase 0.0086 0.0661 0.9352
Schistosoma mansoni lamin 0.0028 0.0046 0.0123
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0211 0.2986
Trypanosoma cruzi DNA polymerase eta, putative 0.0023 0.0000067234 0.0003
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0000067234 0.0001
Echinococcus granulosus protein kinase c epsilon type 0.032 0.3104 0.8317
Echinococcus granulosus serine:threonine protein kinase N2 0.015 0.1322 0.3541
Echinococcus multilocularis serine:threonine protein kinase 38 0.0086 0.0661 0.0661
Echinococcus granulosus tumor protein p63 0.0347 0.3384 0.9069
Echinococcus granulosus protein kinase c eta type 0.0077 0.0561 0.1503
Echinococcus granulosus guanine nucleotide exchange factor VAV2 0.0077 0.0561 0.1503
Mycobacterium tuberculosis Conserved protein 0.0043 0.0211 0.0793
Brugia malayi beta-lactamase 0.0043 0.0211 0.068
Brugia malayi RhoGEF domain containing protein 0.0077 0.0561 0.1808
Leishmania major hypothetical protein, conserved 0.0043 0.0211 1
Echinococcus multilocularis raf serine:threonine protein kinase 0.0077 0.0561 0.0561
Trichomonas vaginalis esterase, putative 0.0043 0.0211 0.2986
Schistosoma mansoni unc-13 (munc13) 0.0086 0.0658 0.1763
Echinococcus multilocularis guanine nucleotide exchange factor VAV2 0.0077 0.0561 0.0561
Schistosoma mansoni serine/threonine protein kinase 0.0086 0.0661 0.1771
Loa Loa (eye worm) beta-lactamase 0.0043 0.0211 0.0564
Loa Loa (eye worm) AGC/PKC/IOTA protein kinase 0.0079 0.0586 0.1565
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0046 0.0148
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0000067234 0.0001
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0086 0.0661 0.1766
Entamoeba histolytica diacylglycerol kinase, putative 0.0077 0.0561 0.4103
Trichomonas vaginalis AGC family protein kinase 0.0086 0.0661 0.9352
Trichomonas vaginalis AGC family protein kinase 0.0091 0.0707 1
Trichomonas vaginalis AGC family protein kinase 0.0091 0.0707 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0334 0.0895

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 59.64 um PUBCHEM_BIOASSAY: QFRET-based dose response biochemical high throughput screening assay to identify inhibitors of the SARS coronavirus 3C-like Protease (3CLPro). (Class of assay: confirmatory) [Related pubchem assays: 1706 (Primary screening assay.), 1879 (Single concentration confirmatory assay.), 1859 (Summary AID.)] ChEMBL. No reference
Potency (functional) = 0.3548 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) 1.2589 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.636 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 1.8349 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) 6.5733 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) 7.9433 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] 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.

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