Detailed information for compound 1389756

Basic information

Technical information
  • TDR Targets ID: 1389756
  • Name: N-(phenylmethyl)-4,5,6,7-tetrahydro-1,2-benzo xazole-3-carboxamide
  • MW: 256.3 | Formula: C15H16N2O2
  • H donors: 1 H acceptors: 2 LogP: 2.7 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1noc2c1CCCC2)NCc1ccccc1
  • InChi: 1S/C15H16N2O2/c18-15(16-10-11-6-2-1-3-7-11)14-12-8-4-5-9-13(12)19-17-14/h1-3,6-7H,4-5,8-10H2,(H,16,18)
  • InChiKey: CUGZMSBAWFPYJV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(benzyl)-4,5,6,7-tetrahydroindoxazene-3-carboxamide
  • MLS000087351
  • EU-0023716
  • SMR000023574
  • N-benzyl-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
  • ChemDiv2_005762
  • IDI1_004477

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Human immunodeficiency virus 1 Aberrant vpr protein Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0099 0.0187 0.0355
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0044 0.0243
Loa Loa (eye worm) phosphatidylinositol 3 0.0022 0.0025 0.0137
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.01 0.0189 0.0257
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0041 0.006
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0229 0.0465 0.2561
Loa Loa (eye worm) inositol-1 0.0037 0.0055 0.0303
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0022 0.0025 0.0047
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.01 0.0191 0.0362
Schistosoma mansoni lamin 0.0026 0.0033 0.0174
Mycobacterium tuberculosis Conserved hypothetical protein 0.0022 0.0025 0.0252
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0057 0.0098 0.0531
Loa Loa (eye worm) hypothetical protein 0.0035 0.0052 0.0286
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0253 0.0517 0.2748
Loa Loa (eye worm) hypothetical protein 0.0035 0.0052 0.0286
Mycobacterium leprae Probable lipase LipE 0.0035 0.0052 1
Loa Loa (eye worm) PHD-finger family protein 0.003 0.0041 0.0225
Brugia malayi MH2 domain containing protein 0.0123 0.0238 0.0325
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0863 0.1816 0.6659
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0057 0.0098 0.0186
Schistosoma mansoni hypothetical protein 0.0031 0.0044 0.0234
Echinococcus granulosus histone acetyltransferase KAT2B 0.0137 0.027 0.1485
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0055 0.0112
Trichomonas vaginalis CMGC family protein kinase 0.0863 0.1816 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0052 0.0286
Loa Loa (eye worm) phosphatidylinositol 3 0.0603 0.1262 0.6947
Schistosoma mansoni kinase 0.0055 0.0095 0.0511
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0603 0.1262 0.6905
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0012 0.0002 0.0003
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0366 0.0756 0.2718
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0052 0.3867
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0029 0.1408
Brugia malayi beta-lactamase family protein 0.0035 0.0052 0.0068
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0057 0.0098 0.0132
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.01 0.0191 0.0617
Brugia malayi hypothetical protein 0.0125 0.0243 0.0332
Trichomonas vaginalis CAMK family protein kinase 0.01 0.0191 0.0927
Schistosoma mansoni cpg binding protein 0.0037 0.0055 0.0295
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0758 0.1591 0.8746
Schistosoma mansoni hypothetical protein 0.0031 0.0044 0.0234
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0758 0.1591 0.5824
Onchocerca volvulus 0.0035 0.0052 0.0051
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0022 0.0025 0.0083
Giardia lamblia Telomerase catalytic subunit 0.1285 0.2715 1
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0099 0.0187 0.0604
Loa Loa (eye worm) hypothetical protein 0.0267 0.0546 0.3006
Echinococcus granulosus serine protein kinase ATM 0.0022 0.0025 0.0137
Loa Loa (eye worm) hypothetical protein 0.0068 0.0122 0.0672
Giardia lamblia Kinase, CMGC GSK 0.0863 0.1816 0.6659
Schistosoma mansoni cpg binding protein 0.0037 0.0055 0.0295
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0099 0.0187 0.0907
Mycobacterium tuberculosis Conserved protein 0.0035 0.0052 0.0864
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.0109 1
Echinococcus granulosus GPCR family 2 0.0031 0.0044 0.0243
Brugia malayi hypothetical protein 0.0452 0.0939 0.1291
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0052 1
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.0029 0.0023
Echinococcus multilocularis jumonji domain containing protein 0.0042 0.0066 0.0125
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0052 0.0151
Echinococcus multilocularis Protein lozenge 0.0057 0.0098 0.0186
Echinococcus granulosus lamin 0.0026 0.0033 0.0183
Echinococcus multilocularis 0.0022 0.0025 0.0047
Brugia malayi beta-lactamase 0.0035 0.0052 0.0068
Trichomonas vaginalis CAMK family protein kinase 0.0054 0.0092 0.0374
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.1285 0.2715 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0025 0.0137
Brugia malayi serine/threonine-protein kinase plk-2 0.01 0.0191 0.026
Plasmodium falciparum telomerase reverse transcriptase 0.1285 0.2715 1
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0099 0.0187 0.0682
Echinococcus granulosus lamin dm0 0.0026 0.0033 0.0183
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0032 0.0026
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0033 0.0183
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0062 0.0109 0.2159
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0044 0.0084
Schistosoma mansoni hypothetical protein 0.0072 0.013 0.0708
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0099 0.0187 0.0604
Onchocerca volvulus 0.0452 0.0939 0.0939
Leishmania major telomerase reverse transcriptase, putative 0.1285 0.2715 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0052 0.0151
Loa Loa (eye worm) runx1 0.0057 0.0098 0.0539
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0029 0.0015
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0099 0.0187 0.1032
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.003 0.0041 0.0216
Trichomonas vaginalis esterase, putative 0.0035 0.0052 0.0151
Trichomonas vaginalis CMGC family protein kinase 0.0863 0.1816 1
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0022 0.0025 0.0047
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0253 0.0517 0.2748
Brugia malayi hypothetical protein 0.0072 0.013 0.0176
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0052 0.01
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0491 0.1023 0.1939
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0033 0.0183
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0033 0.0043
Loa Loa (eye worm) pigment dispersing factor receptor c 0.01 0.0189 0.1041
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0022 0.0025 0.0031
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0177 0.0355 0.1226
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.0044 0.0243
Toxoplasma gondii RNA-directed DNA polymerase 0.1285 0.2715 1
Onchocerca volvulus 0.0022 0.0025 0.0024
Loa Loa (eye worm) hypothetical protein 0.0018 0.0016 0.0088
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0863 0.1816 0.6659
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0072 0.013 0.0717
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0029 0.1408
Onchocerca volvulus 0.0026 0.0033 0.0033
Trichomonas vaginalis CAMK family protein kinase 0.01 0.0191 0.0927
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0037 0.0055 0.5
Loa Loa (eye worm) phosphatidylinositol 3 0.0231 0.0469 0.2584
Toxoplasma gondii ABC1 family protein 0.0035 0.0052 0.01
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0141 0.0278 0.0528
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0022 0.0025 0.0083
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.052 0.1086 0.5923
Schistosoma mansoni lozenge 0.0057 0.0098 0.053
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0022 0.0025 0.0047
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0253 0.0517 0.2748
Plasmodium falciparum phd finger protein, putative 0.003 0.0041 0.0142
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0052 0.0098
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0072 0.013 0.0247
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0022 0.0025 0.0128
Loa Loa (eye worm) hypothetical protein 0.0035 0.0052 0.0286
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0042 0.0066 0.0151
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0007 0.004
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0052 0.0151
Echinococcus multilocularis inositol monophosphatase 1 0.0037 0.0055 0.0104
Giardia lamblia Kinase, CMGC GSK 0.0863 0.1816 0.6659
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0491 0.1023 0.5631
Entamoeba histolytica acetyltransferase, GNAT family 0.0038 0.0058 0.0186
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0758 0.1591 0.8746
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0052 0.0277
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0758 0.1591 0.8746
Giardia lamblia Kinase, PLK 0.01 0.0191 0.0617
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0037 0.0055 0.0112
Trichomonas vaginalis CAMK family protein kinase 0.01 0.0191 0.0927
Brugia malayi follicle stimulating hormone receptor 0.0229 0.0465 0.0638
Brugia malayi Bromodomain containing protein 0.0033 0.0048 0.0064
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0253 0.0517 0.2841
Brugia malayi Inositol-1 0.0037 0.0055 0.0073
Echinococcus granulosus serine:threonine protein kinase PLK1 0.01 0.0191 0.1052
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0231 0.0469 0.1652
Echinococcus multilocularis microtubule associated protein 2 0.0709 0.1488 0.2821
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0052 0.0068
Loa Loa (eye worm) acetyltransferase 0.0141 0.0278 0.1532
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0029 0.0015
Loa Loa (eye worm) hypothetical protein 0.0035 0.0052 0.0286
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.01 0.0191 0.1052
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0022 0.0025 0.0047
Echinococcus multilocularis lysine specific demethylase 5A 0.0036 0.0054 0.0103
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0099 0.0187 0.0907
Schistosoma mansoni hypothetical protein 0.0031 0.0044 0.0234
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0099 0.0187 0.0604
Loa Loa (eye worm) hypothetical protein 0.0022 0.0025 0.0137
Brugia malayi hypothetical protein 0.0017 0.0012 0.0014
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0032 0.0026
Echinococcus multilocularis peregrin 0.0033 0.0048 0.0092
Entamoeba histolytica protein kinase, putative 0.0863 0.1816 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.0087 0.0477
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0052 0.0277
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0055 0.0112
Loa Loa (eye worm) hypothetical protein 0.0024 0.0029 0.016
Mycobacterium tuberculosis Conserved protein 0.0035 0.0052 0.0864
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0253 0.0517 0.0709
Schistosoma mansoni hypothetical protein 0.003 0.0041 0.0216
Onchocerca volvulus 0.0024 0.0029 0.0029
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0022 0.0025 0.0128
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0758 0.1591 0.8746
Trypanosoma cruzi polo-like protein kinase, putative 0.01 0.0191 0.0617
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0022 0.0025 0.0031
Schistosoma mansoni inositol monophosphatase 0.0037 0.0055 0.0294
Mycobacterium ulcerans beta-lactamase 0.0035 0.0052 0.3867
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0044 0.0243
Leishmania major phosphatidylinositol 3-kinase, putative 0.0099 0.0187 0.0604
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0099 0.0187 0.0604
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0016 0.0048
Echinococcus multilocularis cpg binding protein 0.0037 0.0055 0.0105
Trichomonas vaginalis bromodomain-containing protein, putative 0.0042 0.0066 0.0227
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0758 0.1591 0.2189
Brugia malayi intracellular kinase 0.0863 0.1816 0.2498
Loa Loa (eye worm) hypothetical protein 0.0491 0.1023 0.5631
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0253 0.0517 0.183
Loa Loa (eye worm) hypothetical protein 0.01 0.0189 0.1041
Echinococcus multilocularis serine protein kinase ATM 0.0022 0.0025 0.0047
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.0109 0.0592
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0057 0.0098 0.054
Schistosoma mansoni serine/threonine protein kinase 0.01 0.0191 0.1043
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0029 0.1408
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0052 0.01
Loa Loa (eye worm) hypothetical protein 0.0035 0.0052 0.0286
Mycobacterium tuberculosis Conserved protein 0.0035 0.0052 0.0864
Plasmodium vivax acyl-CoA synthetase, putative 0.0018 0.0016 0.0049
Schistosoma mansoni hypothetical protein 0.0022 0.0025 0.0128
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.0044 0.0084
Entamoeba histolytica hypothetical protein 0.0072 0.013 0.0587
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0099 0.0187 0.0907
Entamoeba histolytica hypothetical protein 0.0072 0.013 0.0587
Loa Loa (eye worm) jmjC domain-containing protein 0.0062 0.0109 0.06
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0022 0.0025 0.0031
Echinococcus multilocularis GPCR, family 2 0.0031 0.0044 0.0084
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0052 0.3867
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0029 0.1408
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0052 0.0864
Schistosoma mansoni jumonji domain containing protein 0.0078 0.0143 0.078
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0224 0.0455 1
Onchocerca volvulus Huntingtin homolog 0.0125 0.0243 0.0243
Brugia malayi Telomerase reverse transcriptase 0.3419 0.7262 1
Mycobacterium ulcerans hypothetical protein 0.0035 0.0052 0.3867
Plasmodium vivax hypothetical protein, conserved 0.003 0.0041 0.0142
Plasmodium vivax hypothetical protein 0.0022 0.0025 0.0083
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.2486 0.5273 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0029 0.016
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0052 0.0151
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0053 0.009 0.0495
Loa Loa (eye worm) hypothetical protein 0.0013 0.0004 0.0023
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0057 0.0098 0.8813
Onchocerca volvulus 0.0863 0.1816 0.1816
Echinococcus granulosus intermediate filament protein 0.0026 0.0033 0.0183
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0029 0.1408
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0055 0.0112
Loa Loa (eye worm) hypothetical protein 0.0452 0.0939 0.5173
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0012 0.0002 0.0004
Brugia malayi acetyltransferase, GNAT family protein 0.0141 0.0278 0.038
Brugia malayi CXXC zinc finger family protein 0.0035 0.0051 0.0067
Loa Loa (eye worm) phosphatidylinositol 3 0.0022 0.0025 0.0137
Echinococcus granulosus lysine specific demethylase 5A 0.0038 0.0059 0.0323
Entamoeba histolytica hypothetical protein 0.0072 0.013 0.0587
Schistosoma mansoni transcription factor LCR-F1 0.0072 0.013 0.0708
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0863 0.1816 1
Echinococcus multilocularis Zinc finger, PHD finger 0.0099 0.0187 0.0355
Plasmodium falciparum acyl-CoA synthetase 0.0018 0.0016 0.0049
Loa Loa (eye worm) hypothetical protein 0.0024 0.0029 0.016
Trypanosoma brucei protein kinase, putative 0.0863 0.1816 0.6659
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0098 0.0186 0.1025
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0099 0.0187 0.1032
Brugia malayi beta-lactamase family protein 0.0035 0.0052 0.0068
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0099 0.0187 0.1024
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0141 0.0278 0.1524
Loa Loa (eye worm) phosphatidylinositol 3 0.0022 0.0025 0.0137
Loa Loa (eye worm) hypothetical protein 0.0012 0.0003 0.0018
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0013 0.0004 0.0023
Echinococcus multilocularis musashi 0.0026 0.0033 0.0063
Trichomonas vaginalis CAMK family protein kinase 0.0054 0.0092 0.0374
Echinococcus granulosus jumonji domain containing protein 0.0042 0.0066 0.0363
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0022 0.0025 0.0137
Loa Loa (eye worm) phosphatidylinositol kinase 0.0022 0.0025 0.0137
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0052 0.01
Brugia malayi jmjC domain containing protein 0.0038 0.0059 0.0078
Echinococcus granulosus histone acetyltransferase KAT2B 0.0042 0.0066 0.0362
Loa Loa (eye worm) hypothetical protein 0.0012 0.0003 0.0018
Leishmania major hypothetical protein, conserved 0.0026 0.0032 0.0026
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0057 0.0098 0.0272
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.0122 0.0165
Loa Loa (eye worm) hypothetical protein 0.0031 0.0044 0.0243
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0099 0.0187 0.1032
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.0109 0.0592
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0022 0.0025 0.0137
Mycobacterium ulcerans hypothetical protein 0.0024 0.0029 0.1408
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0022 0.0025 0.0137
Onchocerca volvulus Huntingtin homolog 0.0125 0.0243 0.0243
Loa Loa (eye worm) hypothetical protein 0.0018 0.0016 0.0088
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.0055 0.0168
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0253 0.0517 0.2748
Brugia malayi F/Y-rich N-terminus family protein 0.002 0.0021 0.0025
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0022 0.0025 0.0031
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0022 0.0025 0.0137
Toxoplasma gondii histone lysine methyltransferase SET1 0.0069 0.0125 0.037
Plasmodium vivax hypothetical protein, conserved 0.0022 0.0025 0.0083
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0134 0.0728
Echinococcus multilocularis PHD finger protein rhinoceros 0.003 0.0041 0.0078
Loa Loa (eye worm) phosphatidylinositol 3 0.0022 0.0025 0.0137
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0022 0.0025 0.0128
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0863 0.1816 0.3444
Loa Loa (eye worm) hypothetical protein 0.0026 0.0032 0.0177
Onchocerca volvulus 0.0022 0.0025 0.0024
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0029 0.0037
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0037 0.0055 0.4192
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0029 0.0037
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0052 0.0182
Schistosoma mansoni hypothetical protein 0.0068 0.0122 0.0663
Onchocerca volvulus 0.0035 0.0051 0.0051
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0099 0.0187 0.0604
Plasmodium falciparum glycogen synthase kinase 3 0.0863 0.1816 0.6687
Onchocerca volvulus 0.0035 0.0052 0.0051
Schistosoma mansoni fkbp-rapamycin associated protein 0.0022 0.0025 0.0128
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0863 0.1816 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0123 0.0238 0.1313
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0022 0.0025 0.0031
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.052 0.1086 0.5923
Entamoeba histolytica serine/threonine protein kinase, putative 0.01 0.0191 0.0927
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0758 0.1591 0.3018
Brugia malayi intermediate filament protein 0.0026 0.0033 0.0043
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.0109 1
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0022 0.0025 0.0128
Loa Loa (eye worm) hypothetical protein 0.0012 0.0002 0.0012
Onchocerca volvulus Serine\/threonine kinase homolog 0.01 0.0191 0.019
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0029 0.1408
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0022 0.0025 0.0137
Trypanosoma brucei telomerase reverse transcriptase 0.1285 0.2715 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0029 0.0023
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0018 0.0016 0.0081
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0029 0.1519
Loa Loa (eye worm) phosphatidylinositol 3 0.0022 0.0025 0.0137
Echinococcus multilocularis lamin dm0 0.0026 0.0033 0.0063
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0758 0.1591 0.5824
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0052 0.0864
Schistosoma mansoni inositol monophosphatase 0.0037 0.0055 0.0294
Loa Loa (eye worm) hypothetical protein 0.0018 0.0016 0.0088
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0052 0.0864
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0022 0.0025 0.0047
Leishmania major hypothetical protein, conserved 0.0035 0.0052 0.01
Schistosoma mansoni jumonji/arid domain-containing protein 0.0038 0.0059 0.0314
Schistosoma mansoni intermediate filament proteins 0.0026 0.0033 0.0174
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0052 0.0864
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0041 0.006
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0022 0.0025 0.0128
Giardia lamblia PHD finger protein 15 0.003 0.0041 0.006
Echinococcus granulosus peregrin 0.0033 0.0048 0.0266
Entamoeba histolytica hypothetical protein 0.0603 0.1262 0.6905
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0052 0.0864
Echinococcus granulosus cpg binding protein 0.0037 0.0055 0.0304
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0044 0.0058
Trichomonas vaginalis CAMK family protein kinase 0.01 0.0191 0.0927
Echinococcus granulosus PHD finger protein rhinoceros 0.003 0.0041 0.0225
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0022 0.0025 0.0047
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.0055 0.0168
Trypanosoma brucei polo-like protein kinase 0.01 0.0191 0.0617
Loa Loa (eye worm) hypothetical protein 0.0018 0.0016 0.0088
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0253 0.0517 0.183
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.0016 0.5
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0098 0.0186 0.0353
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0735 0.1544 0.8479
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0032 0.0108
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0032 0.0026
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0013 0.0004 0.0008
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0029 0.0023
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0022 0.0025 0.0031
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0099 0.0187 0.0907
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0037 0.0055 0.0168
Trypanosoma cruzi polo-like protein kinase, putative 0.01 0.0191 0.0617
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0022 0.0025 0.0083
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0062 0.0109 0.0601
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0052 0.0151
Loa Loa (eye worm) phosphatidylinositol 3 0.0022 0.0025 0.0137
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0863 0.1816 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0029 0.0015
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0022 0.0025 0.0128
Loa Loa (eye worm) hypothetical protein 0.0035 0.0052 0.0286
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0022 0.0025 0.0031
Schistosoma mansoni hypothetical protein 0.0031 0.0044 0.0234
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0029 0.1519
Loa Loa (eye worm) hypothetical protein 0.0026 0.0032 0.0176
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0055 0.0112
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0022 0.0025 0.0137
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0099 0.0187 0.0255
Echinococcus multilocularis protein kinase shaggy 0.0863 0.1816 0.3444
Loa Loa (eye worm) hypothetical protein 0.0452 0.0939 0.5173
Loa Loa (eye worm) beta-lactamase 0.0035 0.0052 0.0286
Loa Loa (eye worm) hypothetical protein 0.003 0.0041 0.0225
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0057 0.0098 0.8813
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0029 0.0345
Loa Loa (eye worm) hypothetical protein 0.0022 0.0025 0.0137
Loa Loa (eye worm) transcription factor SMAD2 0.0123 0.0238 0.1313
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0012 0.0002 0.0009
Mycobacterium ulcerans lipase LipD 0.0035 0.0052 0.3867
Schistosoma mansoni lamin 0.0026 0.0033 0.0174
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0253 0.0517 0.2748
Entamoeba histolytica protein kinase domain containing protein 0.0863 0.1816 1
Toxoplasma gondii aldehyde dehydrogenase 0.0062 0.0109 0.0313
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0029 0.1408
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0022 0.0025 0.0137
Onchocerca volvulus 0.0035 0.0052 0.0051
Schistosoma mansoni jumonji/arid domain-containing protein 0.0038 0.0059 0.0314
Giardia lamblia Histone acetyltransferase GCN5 0.0038 0.0058 0.0124
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0022 0.0025 0.0083
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0491 0.1023 0.1406
Entamoeba histolytica protein kinase domain containing protein 0.0863 0.1816 1
Plasmodium falciparum histone acetyltransferase GCN5 0.0038 0.0058 0.0206
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0099 0.0187 0.1024
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0052 0.0286
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0032 0.0108
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0042 0.0066 0.0233
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0099 0.0187 0.0907
Brugia malayi PHD-finger family protein 0.003 0.0041 0.0053
Schistosoma mansoni microtubule-associated protein tau 0.0709 0.1488 0.8189
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0033 0.0047 0.81
Plasmodium vivax glycogen synthase kinase 3, putative 0.0863 0.1816 0.6687
Trichomonas vaginalis CAMK family protein kinase 0.01 0.0191 0.0927
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0758 0.1591 0.8763
Echinococcus multilocularis lamin 0.0026 0.0033 0.0063
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0863 0.1816 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.01 0.0189 0.0257
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0022 0.0025 0.0083
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0052 0.0864
Brugia malayi jmjC domain containing protein 0.0098 0.0186 0.0253
Plasmodium vivax telomerase reverse transcriptase, putative 0.1285 0.2715 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0016 0.0088
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.1285 0.2715 1
Brugia malayi cytoplasmic intermediate filament protein 0.0014 0.0007 0.0007
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0032 0.0108
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0044 0.0058
Loa Loa (eye worm) jmjC domain-containing protein 0.0038 0.0059 0.0323
Entamoeba histolytica hypothetical protein 0.0072 0.013 0.0587
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0051 0.0281
Trichomonas vaginalis inositol monophosphatase, putative 0.0037 0.0055 0.0168
Echinococcus granulosus protein kinase shaggy 0.0863 0.1816 1
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0863 0.1816 0.6659
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0099 0.0187 0.0604
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0029 0.0345
Echinococcus granulosus inositol monophosphatase 1 0.0037 0.0055 0.0303
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0057 0.0098 0.1909
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0012 0.0002 0.0011
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.0109 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0062 0.0109 0.0207
Loa Loa (eye worm) hypothetical protein 0.0026 0.0033 0.0183
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0758 0.1591 0.8762
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0029 0.0037
Schistosoma mansoni cpg binding protein 0.0035 0.0051 0.0272
Trichomonas vaginalis CAMK family protein kinase 0.01 0.0191 0.0927
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0052 0.0864
Loa Loa (eye worm) hypothetical protein 0.0125 0.0243 0.134
Onchocerca volvulus Alhambra homolog 0.003 0.0041 0.004
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0062 0.0109 0.0313
Loa Loa (eye worm) hypothetical protein 0.0125 0.0243 0.134
Brugia malayi hypothetical protein 0.0026 0.0032 0.0041
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0099 0.0187 0.0682
Onchocerca volvulus 0.0026 0.0033 0.0033
Echinococcus granulosus microtubule associated protein 2 0.0709 0.1488 0.8191
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0032 0.0026
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0033 0.0047 0.0748
Trichomonas vaginalis CAMK family protein kinase 0.01 0.0191 0.0927
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0336 0.0693 0.373
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0042 0.0066 0.0151
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0042 0.0066 0.0227

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 8.2753 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) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.1093 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143] ChEMBL. No reference
Potency (functional) 23.1093 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 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

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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