Detailed information for compound 432747

Basic information

Technical information
  • TDR Targets ID: 432747
  • Name: indol-1-yl-(3,4,5-trimethoxyphenyl)methanone
  • MW: 311.332 | Formula: C18H17NO4
  • H donors: 0 H acceptors: 1 LogP: 3.45 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(cc(c1OC)OC)C(=O)n1ccc2c1cccc2
  • InChi: 1S/C18H17NO4/c1-21-15-10-13(11-16(22-2)17(15)23-3)18(20)19-9-8-12-6-4-5-7-14(12)19/h4-11H,1-3H3
  • InChiKey: IGLCXZCGBYHSJF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-indolyl-(3,4,5-trimethoxyphenyl)methanone

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0059 0.0056 0.0476
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0235 0.0584 0.4986
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0041 0.0002 0.0017
Loa Loa (eye worm) hypothetical protein 0.0102 0.0186 0.158
Plasmodium vivax SET domain protein, putative 0.0062 0.0064 0.6226
Loa Loa (eye worm) hypothetical protein 0.0062 0.0066 0.0546
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0132 0.0276 0.0276
Trichomonas vaginalis PIKK family atypical protein kinase 0.0235 0.0584 0.4326
Loa Loa (eye worm) hypothetical protein 0.0087 0.0141 0.119
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0249 0.0625 0.4634
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0235 0.0584 0.1643
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0045 0.0014 0.0094
Leishmania major hypothetical protein, conserved 0.0043 0.0008 0.0021
Echinococcus granulosus lysosomal alpha glucosidase 0.0293 0.0759 0.0759
Toxoplasma gondii FATC domain-containing protein 0.0132 0.0276 0.4735
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0132 0.0276 0.4718
Trichomonas vaginalis PIKK family atypical protein kinase 0.0235 0.0584 0.4326
Trichomonas vaginalis PIKK family atypical protein kinase 0.0235 0.0584 0.4326
Entamoeba histolytica hypothetical protein 0.0045 0.0014 0.0202
Trypanosoma cruzi hypothetical protein, conserved 0.0062 0.0066 0.0186
Trichomonas vaginalis penicillin-binding protein, putative 0.0062 0.0066 0.0473
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.3369 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0065 0.0074 0.0211
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0045 0.0014 0.1265
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0059 0.0056 0.0056
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0045 0.0014 0.0014
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0045 0.0014 0.1265
Trichomonas vaginalis PIKK family atypical protein kinase 0.0132 0.0276 0.2041
Loa Loa (eye worm) hypothetical protein 0.0264 0.0672 0.5737
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0045 0.0014 0.0014
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0045 0.0014 0.0202
Onchocerca volvulus 0.0062 0.0066 0.0383
Trichomonas vaginalis conserved hypothetical protein 0.0102 0.0186 0.137
Loa Loa (eye worm) phosphatidylinositol 3 0.0045 0.0014 0.0108
Toxoplasma gondii ABC1 family protein 0.0062 0.0066 0.1122
Trichomonas vaginalis alpha-glucosidase, putative 0.0065 0.0074 0.0537
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0059 0.0056 0.0056
Mycobacterium leprae conserved hypothetical protein 0.0062 0.0066 0.223
Schistosoma mansoni hypothetical protein 0.0144 0.0312 0.266
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0121 0.0244 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0065 0.0074 0.0537
Onchocerca volvulus 0.0062 0.0064 0.0371
Schistosoma mansoni alpha-glucosidase 0.0252 0.0636 0.543
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0066 0.0076 0.0076
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0235 0.0584 0.1704
Schistosoma mansoni jumonji/arid domain-containing protein 0.0066 0.0076 0.0648
Trichomonas vaginalis PIKK family atypical protein kinase 0.0235 0.0584 0.4326
Trichomonas vaginalis PIKK family atypical protein kinase 0.0132 0.0276 0.2041
Trichomonas vaginalis PIKK family atypical protein kinase 0.0235 0.0584 0.4326
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0235 0.0584 0.1704
Schistosoma mansoni alpha glucosidase 0.0065 0.0074 0.0632
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0049 0.0025 0.0231
Trichomonas vaginalis PIKK family atypical protein kinase 0.0235 0.0584 0.4326
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0059 0.0056 0.0462
Loa Loa (eye worm) hypothetical protein 0.0132 0.0276 0.2352
Trichomonas vaginalis set domain proteins, putative 0.0489 0.1347 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0132 0.0276 0.2041
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0074 0.0101 0.4167
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0045 0.0014 0.0202
Trichomonas vaginalis PIKK family atypical protein kinase 0.0087 0.0141 0.1033
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0235 0.0584 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0074 0.0101 1
Mycobacterium tuberculosis Conserved protein 0.0062 0.0066 0.0611
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0132 0.0276 0.4404
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0062 0.0066 0.0559
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0249 0.0625 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0041 0.0002 0.0002
Trichomonas vaginalis PIKK family atypical protein kinase 0.0235 0.0584 0.4326
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0121 0.0244 0.2272
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0059 0.0056 0.0476
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0045 0.0014 0.0094
Trichomonas vaginalis PIKK family atypical protein kinase 0.0045 0.0014 0.0094
Echinococcus multilocularis beta LACTamase domain containing family member 0.0062 0.0066 0.0066
Loa Loa (eye worm) hypothetical protein 0.0043 0.0008 0.0049
Trypanosoma cruzi hypothetical protein, conserved 0.1178 0.3419 1
Schistosoma mansoni hypothetical protein 0.0045 0.0014 0.0123
Brugia malayi Pre-SET motif family protein 0.043 0.1169 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0059 0.0056 0.0476
Mycobacterium tuberculosis Probable esterase LipL 0.0062 0.0066 0.0611
Trichomonas vaginalis PIKK family atypical protein kinase 0.0235 0.0584 0.4326
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0132 0.0276 0.0804
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0059 0.0057 0.0057
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0045 0.0014 0.0014
Trichomonas vaginalis PIKK family atypical protein kinase 0.0235 0.0584 0.4326
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0089 0.0147 0.1256
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0062 0.0064 0.1094
Brugia malayi beta-lactamase family protein 0.0062 0.0066 0.0546
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0074 0.0101 0.4167
Trichomonas vaginalis PIKK family atypical protein kinase 0.0235 0.0584 0.4326
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0045 0.0014 0.0037
Trichomonas vaginalis alpha-glucosidase, putative 0.0065 0.0074 0.0537
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0045 0.0014 0.0247
Schistosoma mansoni hypothetical protein 0.0102 0.0186 0.1589
Trichomonas vaginalis PIKK family atypical protein kinase 0.0045 0.0014 0.0094
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0045 0.0014 0.0037
Loa Loa (eye worm) hypothetical protein 0.0062 0.0064 0.0531
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0059 0.0056 0.0056
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0074 0.0101 0.5
Mycobacterium tuberculosis Conserved protein 0.0062 0.0066 0.0611
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0062 0.0064 0.0064
Leishmania major phosphatidylinositol kinase, putative 0.0045 0.0014 0.0041
Onchocerca volvulus 0.0084 0.013 0.0864
Plasmodium vivax hypothetical protein, conserved 0.0045 0.0014 0.1265
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0235 0.0584 0.0584
Toxoplasma gondii LsmAD domain-containing protein 0.0043 0.0008 0.0129
Echinococcus granulosus tar DNA binding protein 0.0212 0.0515 0.0515
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0045 0.0014 0.0094
Schistosoma mansoni ap endonuclease 0.0041 0.0002 0.0016
Echinococcus granulosus geminin 0.0144 0.0312 0.0312
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0045 0.0014 0.0108
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0045 0.0014 0.0037
Brugia malayi Pre-SET motif family protein 0.0062 0.0064 0.0531
Trichomonas vaginalis D-aminoacylase, putative 0.0062 0.0066 0.0473
Trichomonas vaginalis PIKK family atypical protein kinase 0.0235 0.0584 0.4326
Echinococcus multilocularis 0.0045 0.0014 0.0014
Giardia lamblia Fructose-bisphosphate aldolase 0.0249 0.0625 1
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0065 0.0074 0.1269
Loa Loa (eye worm) jmjC domain-containing protein 0.0066 0.0076 0.0635
Trichomonas vaginalis PIKK family atypical protein kinase 0.0235 0.0584 0.4326
Leishmania major hypothetical protein, unknown function 0.0045 0.0014 0.0041
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0066 0.0076 0.0076
Trichomonas vaginalis PIKK family atypical protein kinase 0.0235 0.0584 0.4326
Trichomonas vaginalis PIKK family atypical protein kinase 0.0235 0.0584 0.4326
Leishmania major phosphatidylinositol kinase related protein, putative 0.0045 0.0014 0.0041
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0045 0.0014 0.0041
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0132 0.0276 0.2359
Plasmodium vivax hypothetical protein 0.0045 0.0014 0.1265
Schistosoma mansoni tar DNA-binding protein 0.0212 0.0515 0.4397
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0045 0.0014 0.0202
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0249 0.0625 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0235 0.0584 0.4986
Echinococcus granulosus serine protein kinase ATM 0.0132 0.0276 0.0276
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0062 0.0064 0.0545
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0045 0.0014 0.0094
Entamoeba histolytica hypothetical protein 0.0132 0.0276 0.4404
Trypanosoma cruzi hypothetical protein, conserved 0.0062 0.0066 0.0186
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0235 0.0584 0.0584
Entamoeba histolytica hypothetical protein 0.0045 0.0014 0.0202
Trichomonas vaginalis esterase, putative 0.0062 0.0066 0.0473
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0249 0.0625 0.4634
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0249 0.0625 0.4634
Trichomonas vaginalis maltase-glucoamylase, putative 0.0065 0.0074 0.0537
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0045 0.0014 0.0108
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0235 0.0584 0.1704
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0065 0.0074 0.1159
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0045 0.0014 0.0123
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0045 0.0014 0.0108
Schistosoma mansoni microtubule-associated protein tau 0.043 0.1172 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0045 0.0014 0.0094
Mycobacterium tuberculosis Conserved protein 0.0062 0.0066 0.0611
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0045 0.0014 0.0202
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0235 0.0584 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0074 0.0101 0.1738
Trichomonas vaginalis conserved hypothetical protein 0.0148 0.0322 0.2378
Echinococcus multilocularis lysine specific demethylase 5A 0.0066 0.0076 0.0076
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0065 0.0074 0.0537
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0235 0.0584 0.9334
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0045 0.0014 0.0014
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0235 0.0584 0.1643
Schistosoma mansoni survival motor neuron protein 0.0054 0.004 0.0346
Leishmania major phosphatidylinositol 3-kinase, putative 0.0235 0.0584 0.1643
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0397 0.1072 1
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0045 0.0014 0.0037
Trypanosoma brucei PAB1-binding protein , putative 0.0043 0.0008 0.0098
Mycobacterium leprae Probable lipase LipE 0.0062 0.0066 0.223
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0045 0.0014 0.0108
Mycobacterium ulcerans beta-lactamase 0.0062 0.0066 0.2691
Trichomonas vaginalis D-aminoacylase, putative 0.0062 0.0066 0.0473
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0148 0.0322 0.5498
Mycobacterium tuberculosis Probable lipase LipD 0.0062 0.0066 0.0611
Loa Loa (eye worm) hypothetical protein 0.0045 0.0014 0.0108
Onchocerca volvulus 0.0169 0.0388 0.2801
Trypanosoma brucei glucosidase, putative 0.0065 0.0074 0.1241
Echinococcus granulosus beta LACTamase domain containing family member 0.0062 0.0066 0.0066
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0074 0.0101 0.0101
Treponema pallidum fructose-bisphosphate aldolase 0.0249 0.0625 1
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0045 0.0014 0.0094
Loa Loa (eye worm) hypothetical protein 0.0089 0.0147 0.1245
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0045 0.0014 0.0202
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0121 0.0244 1
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0045 0.0014 0.0216
Leishmania major alpha glucosidase II subunit, putative 0.0065 0.0074 0.0208
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0249 0.0625 0.4634
Schistosoma mansoni jumonji/arid domain-containing protein 0.0066 0.0076 0.0648
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0062 0.0064 0.0545
Echinococcus granulosus neutral alpha glucosidase AB 0.0065 0.0074 0.0074
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0249 0.0625 0.4634
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0045 0.0014 0.0014
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0045 0.0014 0.0014
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0045 0.0014 0.0247
Brugia malayi TAR-binding protein 0.0212 0.0515 0.4399
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0049 0.0025 0.045
Echinococcus granulosus lysine specific demethylase 5A 0.0066 0.0076 0.0076
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0045 0.0014 0.0123
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0235 0.0584 0.1704
Schistosoma mansoni jumonji domain containing protein 0.0066 0.0076 0.0648
Trichomonas vaginalis PIKK family atypical protein kinase 0.0235 0.0584 0.4326
Brugia malayi beta-lactamase 0.0062 0.0066 0.0546
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0235 0.0584 0.0584
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0045 0.0014 0.0037
Onchocerca volvulus 0.0489 0.1347 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0062 0.0064 0.0545
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0235 0.0584 0.1643
Trichomonas vaginalis PIKK family atypical protein kinase 0.0235 0.0584 0.4326
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0062 0.0066 0.0546
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0041 0.0002 0.0076
Trichomonas vaginalis PIKK family atypical protein kinase 0.0235 0.0584 0.4326
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0235 0.0584 0.1643
Trypanosoma brucei hypothetical protein, conserved 0.0062 0.0066 0.1094
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0045 0.0014 0.0108
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0045 0.0014 0.0094
Echinococcus multilocularis Zinc finger, PHD finger 0.0045 0.0014 0.0014
Mycobacterium ulcerans hypothetical protein 0.0062 0.0066 0.2691
Trichomonas vaginalis PIKK family atypical protein kinase 0.0132 0.0276 0.2041
Loa Loa (eye worm) hypothetical protein 0.0074 0.0101 0.0854
Mycobacterium tuberculosis Probable hydrolase 0.0062 0.0066 0.0611
Mycobacterium ulcerans esterase/lipase LipP 0.0062 0.0066 0.2691
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0059 0.0056 0.0056
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0045 0.0014 0.0247
Trichomonas vaginalis PIKK family atypical protein kinase 0.0148 0.0322 0.2378
Entamoeba histolytica phosphatidylinositol 3-kinase 3, putative 0.0045 0.0014 0.0202
Mycobacterium tuberculosis Conserved hypothetical protein 0.0045 0.0014 0.0135
Brugia malayi RNA binding protein 0.0212 0.0515 0.4399
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0089 0.0147 0.1256
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0045 0.0014 0.0094
Trichomonas vaginalis PIKK family atypical protein kinase 0.0235 0.0584 0.4326
Echinococcus multilocularis tar DNA binding protein 0.0212 0.0515 0.0515
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0045 0.0014 0.0123
Schistosoma mansoni tar DNA-binding protein 0.0212 0.0515 0.4397
Echinococcus multilocularis geminin 0.0144 0.0312 0.0312
Trichomonas vaginalis D-aminoacylase, putative 0.0062 0.0066 0.0473
Trichomonas vaginalis PIKK family atypical protein kinase 0.0235 0.0584 0.4326
Onchocerca volvulus 0.0062 0.0066 0.0383
Brugia malayi beta-lactamase family protein 0.0062 0.0066 0.0546
Brugia malayi Probable ClpP-like protease 0.0074 0.0101 0.0854
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0235 0.0584 0.4986
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0132 0.0276 0.0804
Leishmania major hypothetical protein, conserved 0.0062 0.0066 0.0184
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0065 0.0074 0.0619
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0249 0.0625 0.4634
Trypanosoma brucei phosphatidylinositol 3-kinase catalytic subunit, putative 0.0045 0.0014 0.0216
Brugia malayi Glycosyl hydrolases family 31 protein 0.0293 0.0759 0.6486
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0045 0.0014 0.0094
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0212 0.0515 0.4399
Toxoplasma gondii target of rapamycin (TOR), putative 0.0235 0.0584 1
Giardia lamblia GTOR 0.0235 0.0584 0.9334
Echinococcus granulosus histone lysine methyltransferase setb 0.0062 0.0064 0.0064
Trypanosoma cruzi hypothetical protein, conserved 0.0065 0.0074 0.0211
Mycobacterium ulcerans lipase LipD 0.0062 0.0066 0.2691
Schistosoma mansoni fkbp-rapamycin associated protein 0.0132 0.0276 0.2359
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0148 0.0322 0.5513
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0062 0.0066 0.0611
Brugia malayi jmjC domain containing protein 0.0066 0.0076 0.0635
Trypanosoma cruzi target of rapamycin kinase 3 0.0235 0.0584 0.1704
Onchocerca volvulus 0.0089 0.0147 0.0996
Schistosoma mansoni alpha-glucosidase 0.0252 0.0636 0.543
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0045 0.0014 0.0108
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0065 0.0074 0.0537
Entamoeba histolytica hypothetical protein 0.0045 0.0014 0.0202
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0045 0.0014 0.0202
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0249 0.0625 0.4634
Trichomonas vaginalis PIKK family atypical protein kinase 0.0235 0.0584 0.4326
Schistosoma mansoni tar DNA-binding protein 0.0212 0.0515 0.4397
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0235 0.0584 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0045 0.0014 0.0108
Plasmodium falciparum ataxin-2 like protein, putative 0.0043 0.0008 0.0571
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0074 0.0101 0.5
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.0045 0.0014 0.0037
Loa Loa (eye worm) hypothetical protein 0.0148 0.0322 0.2742
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0087 0.0141 0.0407
Echinococcus multilocularis neutral alpha glucosidase AB 0.0065 0.0074 0.0074
Loa Loa (eye worm) hypothetical protein 0.0062 0.0066 0.0546
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0045 0.0014 0.0123
Brugia malayi FAT domain containing protein 0.0102 0.0186 0.158
Loa Loa (eye worm) hypothetical protein 0.0089 0.0147 0.1245
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0041 0.0002 0.0002
Echinococcus multilocularis survival motor neuron protein 1 0.0264 0.0672 0.0672
Trichomonas vaginalis PIKK family atypical protein kinase 0.0235 0.0584 0.4326
Trichomonas vaginalis PIKK family atypical protein kinase 0.0132 0.0276 0.2041
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0041 0.0002 0.0005
Echinococcus granulosus microtubule associated protein 2 0.043 0.1172 0.1172
Trichomonas vaginalis PIKK family atypical protein kinase 0.0132 0.0276 0.2041
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0045 0.0014 0.0037
Loa Loa (eye worm) hypothetical protein 0.0045 0.0014 0.0108
Trichomonas vaginalis PIKK family atypical protein kinase 0.0132 0.0276 0.2041
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0045 0.0014 0.0247
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0045 0.0014 0.0094
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0045 0.0014 0.0216
Echinococcus granulosus peptidase Clp S14 family 0.0049 0.0025 0.0025
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0235 0.0584 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0045 0.0014 0.0108
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0045 0.0014 0.0094
Schistosoma mansoni hypothetical protein 0.0144 0.0312 0.266
Loa Loa (eye worm) beta-lactamase 0.0062 0.0066 0.0546
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0045 0.0014 0.0216
Brugia malayi RNA recognition motif domain containing protein 0.0212 0.0515 0.4399
Mycobacterium tuberculosis Probable lipase LipE 0.0062 0.0066 0.0611
Loa Loa (eye worm) TAR-binding protein 0.0212 0.0515 0.4399
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0235 0.0584 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0062 0.0066 0.0473
Onchocerca volvulus 0.0054 0.004 0.0195
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0045 0.0014 0.1265
Trichomonas vaginalis PIKK family atypical protein kinase 0.0235 0.0584 0.4326
Toxoplasma gondii exonuclease III APE 0.0041 0.0002 0.0032
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0235 0.0584 0.4983
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0045 0.0014 0.0014
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0045 0.0014 0.0037
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0045 0.0014 0.1265
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0074 0.0101 0.1598
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0062 0.0066 0.0546
Trichomonas vaginalis PIKK family atypical protein kinase 0.0045 0.0014 0.0094
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0045 0.0014 0.1265
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0045 0.0014 0.1265
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0045 0.0014 0.0014
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0132 0.0276 0.2352
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0062 0.0066 0.0611
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0045 0.0014 0.0014
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0235 0.0584 0.4983
Echinococcus multilocularis lysosomal alpha glucosidase 0.0293 0.0759 0.0759
Schistosoma mansoni ap endonuclease 0.0041 0.0002 0.0016
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0045 0.0014 0.0094
Loa Loa (eye worm) RNA binding protein 0.0212 0.0515 0.4399
Brugia malayi Trypsin family protein 0.0089 0.0147 0.1245
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0059 0.0056 0.0462
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0049 0.0025 0.0231
Leishmania major hypothetical protein, conserved 0.1224 0.3554 1
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0132 0.0276 0.0276
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0045 0.0014 0.0123
Onchocerca volvulus 0.0062 0.0066 0.0383
Trichomonas vaginalis PIKK family atypical protein kinase 0.0235 0.0584 0.4326
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0102 0.0186 0.0186
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0074 0.0101 0.1738
Trichomonas vaginalis PIKK family atypical protein kinase 0.0235 0.0584 0.4326
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0045 0.0014 0.0202
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0045 0.0014 0.0014
Schistosoma mansoni tar DNA-binding protein 0.0212 0.0515 0.4397
Trypanosoma cruzi PAB1-binding protein , putative 0.0043 0.0008 0.0017
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0054 0.004 0.0331
Echinococcus multilocularis peptidase Clp (S14 family) 0.0049 0.0025 0.0025
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0074 0.0101 0.3799
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.043 0.1169 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0043 0.0008 0.0017
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0235 0.0584 0.9334
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0065 0.0074 0.1159
Brugia malayi Glycosyl hydrolases family 31 protein 0.0065 0.0074 0.0619
Brugia malayi jmjC domain containing protein 0.0066 0.0076 0.0635
Loa Loa (eye worm) phosphatidylinositol 3 0.0045 0.0014 0.0108
Loa Loa (eye worm) phosphatidylinositol 3 0.0235 0.0584 0.4986
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0045 0.0014 0.0094
Schistosoma mansoni hypothetical protein 0.0054 0.004 0.0346
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0102 0.0186 0.0186
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0045 0.0014 0.0202
Loa Loa (eye worm) hypothetical protein 0.0062 0.0066 0.0546
Trichomonas vaginalis alpha-glucosidase, putative 0.0065 0.0074 0.0537
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0195 0.0465 0.3968
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0045 0.0014 0.0202
Loa Loa (eye worm) hypothetical protein 0.0062 0.0066 0.0546
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0062 0.0064 0.0064
Plasmodium falciparum ataxin-2 like protein, putative 0.0043 0.0008 0.0571
Loa Loa (eye worm) phosphatidylinositol 3 0.0045 0.0014 0.0108
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0045 0.0014 0.0108
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0045 0.0014 0.0247
Plasmodium vivax hypothetical protein, conserved 0.0062 0.0066 0.6393
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0062 0.0066 0.0559
Trichomonas vaginalis PIKK family atypical protein kinase 0.0235 0.0584 0.4326
Trichomonas vaginalis sucrase-isomaltase, putative 0.0065 0.0074 0.0537
Loa Loa (eye worm) hypothetical protein 0.0062 0.0066 0.0546
Echinococcus granulosus survival motor neuron protein 1 0.0264 0.0672 0.0672
Trichomonas vaginalis alpha-glucosidase, putative 0.0065 0.0074 0.0537
Giardia lamblia Hypothetical protein 0.0045 0.0014 0.0202
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0249 0.0625 0.4634
Brugia malayi hypothetical protein 0.0043 0.0008 0.0049
Echinococcus multilocularis lysosomal alpha glucosidase 0.0293 0.0759 0.0759
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0045 0.0014 0.0037
Echinococcus multilocularis serine protein kinase ATM 0.0132 0.0276 0.0276
Trichomonas vaginalis conserved hypothetical protein 0.0087 0.0141 0.1033
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0045 0.0014 0.0123
Entamoeba histolytica protein kinase rad3, putative 0.0132 0.0276 0.4404
Schistosoma mansoni peptidase Clp (S14 family) 0.0074 0.0101 0.0866
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0062 0.0066 0.0611
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0045 0.0014 0.0123
Leishmania major phosphatidylinositol 3-kinase, putative 0.0045 0.0014 0.0041
Loa Loa (eye worm) phosphatidylinositol kinase 0.0045 0.0014 0.0108
Entamoeba histolytica hypothetical protein 0.0045 0.0014 0.0202
Loa Loa (eye worm) hypothetical protein 0.0062 0.0066 0.0546
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0045 0.0014 0.0037
Echinococcus multilocularis microtubule associated protein 2 0.043 0.1172 0.1172
Plasmodium vivax ataxin-2 like protein, putative 0.0043 0.0008 0.0571
Brugia malayi hypothetical protein 0.0264 0.0672 0.5737
Leishmania major phosphatidylinositol 4-kinase, putative 0.0045 0.0014 0.0041
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0062 0.0064 0.0545
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0062 0.0066 0.2691
Giardia lamblia Phosphatidylinositol 4-kinase 0.0045 0.0014 0.0202
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0074 0.0101 1
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0045 0.0014 0.0014
Schistosoma mansoni tar DNA-binding protein 0.0212 0.0515 0.4397
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0235 0.0584 0.0584
Trichomonas vaginalis PIKK family atypical protein kinase 0.0235 0.0584 0.4326
Trichomonas vaginalis PIKK family atypical protein kinase 0.0235 0.0584 0.4326
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0132 0.0276 0.2352
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0293 0.0759 0.6486
Trichomonas vaginalis PIKK family atypical protein kinase 0.0132 0.0276 0.2041
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0074 0.0101 1
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0045 0.0014 0.0014
Loa Loa (eye worm) phosphatidylinositol 3 0.0045 0.0014 0.0108
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0045 0.0014 0.1265
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0045 0.0014 0.0216
Trichomonas vaginalis PIKK family atypical protein kinase 0.0235 0.0584 0.4326
Trichomonas vaginalis PIKK family atypical protein kinase 0.0235 0.0584 0.4326
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0074 0.0101 0.0101

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 5200 nM Growth inhibition of human MKN45 cells after 72 hrs by methylene blue dye assay ChEMBL. 17685504
IC50 (functional) = 5200 nM Growth inhibition of human MKN45 cells after 72 hrs by methylene blue dye assay ChEMBL. 17685504
IC50 (functional) = 8400 nM Growth inhibition of human TSGH cells after 72 hrs by methylene blue dye assay ChEMBL. 17685504
IC50 (functional) = 8400 nM Growth inhibition of human TSGH cells after 72 hrs by methylene blue dye assay ChEMBL. 17685504
IC50 (functional) = 9600 nM Growth inhibition of human HT29 cells after 72 hrs by methylene blue dye assay ChEMBL. 17685504
IC50 (functional) = 9600 nM Growth inhibition of human HT29 cells after 72 hrs by methylene blue dye assay ChEMBL. 17685504
IC50 (functional) > 10000 nM Growth inhibition of human KB cells after 72 hrs by methylene blue dye assay ChEMBL. 17685504
IC50 (functional) > 10000 nM Growth inhibition of human KB-vin10 cells after 72 hrs by methylene blue dye assay ChEMBL. 17685504
IC50 (functional) > 10000 nM Growth inhibition of human H460 cells after 72 hrs by methylene blue dye assay ChEMBL. 17685504
IC50 (functional) > 10000 nM Growth inhibition of human KB cells after 72 hrs by methylene blue dye assay ChEMBL. 17685504
IC50 (functional) > 10000 nM Growth inhibition of human H460 cells after 72 hrs by methylene blue dye assay ChEMBL. 17685504

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 17685504

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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