Detailed information for compound 1437170

Basic information

Technical information
  • TDR Targets ID: 1437170
  • Name: N,N'-bis[(2-methoxyphenyl)methyl]-1H-1,2,4-tr iazole-3,5-diamine
  • MW: 339.392 | Formula: C18H21N5O2
  • H donors: 3 H acceptors: 2 LogP: 3.55 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1CNc1[nH]nc(n1)NCc1ccccc1OC
  • InChi: 1S/C18H21N5O2/c1-24-15-9-5-3-7-13(15)11-19-17-21-18(23-22-17)20-12-14-8-4-6-10-16(14)25-2/h3-10H,11-12H2,1-2H3,(H3,19,20,21,22,23)
  • InChiKey: YZIYUVZAQCFARF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2-methoxybenzyl)-[5-[(2-methoxybenzyl)amino]-2H-1,2,4-triazol-3-yl]amine
  • MLS000100244
  • N,N'-bis(2-methoxybenzyl)-1H-1,2,4-triazole-3,5-diamine
  • SMR000082254
  • ZINC02884750
  • STK169895

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens hydroxysteroid (17-beta) dehydrogenase 10 Starlite/ChEMBL No references
Homo sapiens REST corepressor 1 Starlite/ChEMBL References
Homo sapiens lysine (K)-specific demethylase 1A References
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Cryptosporidium parvum scully CG7113-PA, putative Get druggable targets OG5_129031 All targets in OG5_129031
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania donovani 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi Myb-like DNA-binding domain containing protein Get druggable targets OG5_141013 All targets in OG5_141013
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130448 All targets in OG5_130448
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130448 All targets in OG5_130448
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II Get druggable targets OG5_129031 All targets in OG5_129031
Cryptosporidium hominis scully CG7113-PA Get druggable targets OG5_129031 All targets in OG5_129031
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis lysine specific histone demethylase 1A Get druggable targets OG5_130448 All targets in OG5_130448
Schistosoma japonicum ko:K01092 myo-inositol-1(or 4)-monophosphatase [EC3.1.3.25], putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania infantum 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Onchocerca volvulus CoRest homolog Get druggable targets OG5_141013 All targets in OG5_141013
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania mexicana 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130448 All targets in OG5_130448
Schistosoma japonicum ko:K00022 3-hydroxyacyl-CoA dehydrogenase [EC1.1.1.35], putative Get druggable targets OG5_129031 All targets in OG5_129031
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II Get druggable targets OG5_129031 All targets in OG5_129031
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_141013 All targets in OG5_141013
Leishmania braziliensis 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma japonicum Lysine-specific histone demethylase 1, putative Get druggable targets OG5_130448 All targets in OG5_130448
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus lysine specific histone demethylase 1A Get druggable targets OG5_130448 All targets in OG5_130448
Schistosoma mansoni Lysine-specific histone demethylase 1 Get druggable targets OG5_130448 All targets in OG5_130448
Onchocerca volvulus Get druggable targets OG5_130448 All targets in OG5_130448
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase Get druggable targets OG5_129031 All targets in OG5_129031
Brugia malayi SWIRM domain containing protein Get druggable targets OG5_130448 All targets in OG5_130448
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 Get druggable targets OG5_129031 All targets in OG5_129031
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_141013 All targets in OG5_141013
Schistosoma japonicum ko:K00540 amine oxidase (flavin containing) domain 2 [EC:1.-.-.-], putative Get druggable targets OG5_130448 All targets in OG5_130448
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 Get druggable targets OG5_129031 All targets in OG5_129031
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 307 aa 22.5 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 306 aa 22.5 %
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase hydroxysteroid (17-beta) dehydrogenase 10 252 aa 251 aa 24.7 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 300 aa 22.0 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus serine protein kinase ATM 0.0393 0.1508 0.1508
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0872 0.3736 0.3736
Echinococcus multilocularis Zinc finger, PHD finger 0.0209 0.0648 0.0648
Loa Loa (eye worm) hypothetical protein 0.0393 0.1508 0.2865
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0209 0.0648 0.0648
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0395 0.1516 0.1516
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0814 0.3466 0.7913
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0335 0.1237 0.2602
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0393 0.1508 0.1432
Trichomonas vaginalis PIKK family atypical protein kinase 0.0799 0.3397 0.7554
Loa Loa (eye worm) phosphatidylinositol 3 0.0146 0.0358 0.0585
Trichomonas vaginalis PIKK family atypical protein kinase 0.0799 0.3397 0.7554
Leishmania major hypothetical protein, unknown function 0.0146 0.0358 0.0818
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0247 0.0827 0.0746
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0335 0.1237 0.2602
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0872 0.3736 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0872 0.3736 0.7284
Leishmania major phosphatidylinositol 3-kinase, putative 0.0209 0.0648 0.148
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0393 0.1508 0.1508
Brugia malayi SWIRM domain containing protein 0.009 0.0096 0.0096
Toxoplasma gondii target of rapamycin (TOR), putative 0.0799 0.3397 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0509 0.2048 0.4201
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0872 0.3736 1
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0083 0.0063 0.0063
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0146 0.0358 0.0358
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.029 0.1027 0.1027
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0494 0.1978 0.4026
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0393 0.1508 0.1508
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0146 0.0358 0.0273
Trichomonas vaginalis PIKK family atypical protein kinase 0.0524 0.2116 0.4371
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0146 0.0358 0.0358
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0747 0.3155 0.3155
Trichomonas vaginalis PIKK family atypical protein kinase 0.0393 0.1508 0.2858
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0209 0.0648 0.0721
Loa Loa (eye worm) phosphatidylinositol 3 0.0146 0.0358 0.0585
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0747 0.3155 0.3095
Loa Loa (eye worm) hypothetical protein 0.0327 0.1202 0.2258
Loa Loa (eye worm) hypothetical protein 0.0529 0.214 0.4118
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0146 0.0358 0.0358
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0747 0.3155 0.6954
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0209 0.0648 0.0648
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0553 0.2253 0.471
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0872 0.3736 0.3736
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.2218 1 1
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0721 0.3032 0.7915
Trichomonas vaginalis PIKK family atypical protein kinase 0.0872 0.3736 0.8397
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0273 0.0947 0.1743
Brugia malayi FAT domain containing protein 0.029 0.1027 0.1027
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0529 0.214 0.214
Trichomonas vaginalis PIKK family atypical protein kinase 0.0741 0.3126 0.6882
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0814 0.3466 0.7727
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0747 0.3155 0.8281
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0747 0.3155 0.6954
Trichomonas vaginalis PIKK family atypical protein kinase 0.0683 0.2857 0.6211
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.2218 1 1
Trichomonas vaginalis conserved hypothetical protein 0.029 0.1027 0.1662
Loa Loa (eye worm) hypothetical protein 0.02 0.0609 0.1083
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0335 0.1237 0.2185
Trichomonas vaginalis PIKK family atypical protein kinase 0.0247 0.0827 0.1166
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.2218 1 1
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.1293 0.5694 0.5694
Trichomonas vaginalis PIKK family atypical protein kinase 0.0582 0.2387 0.5043
Trichomonas vaginalis PIKK family atypical protein kinase 0.0741 0.3126 0.6882
Schistosoma mansoni hypothetical protein 0.029 0.1027 0.1027
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0335 0.1237 0.2185
Trichomonas vaginalis PIKK family atypical protein kinase 0.0741 0.3126 0.6882
Trichomonas vaginalis PIKK family atypical protein kinase 0.0393 0.1508 0.2858
Leishmania major phosphatidylinositol kinase, putative 0.0146 0.0358 0.0818
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0209 0.0648 0.0955
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0393 0.1508 0.1432
Trichomonas vaginalis PIKK family atypical protein kinase 0.0683 0.2857 0.6211
Trichomonas vaginalis PIKK family atypical protein kinase 0.0814 0.3465 0.7724
Trichomonas vaginalis PIKK family atypical protein kinase 0.0799 0.3397 0.7554
Echinococcus granulosus lysine specific histone demethylase 1A 0.0083 0.0063 0.0063
Trichomonas vaginalis PIKK family atypical protein kinase 0.0683 0.2857 0.6211
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0209 0.0648 0.0648
Trichomonas vaginalis PIKK family atypical protein kinase 0.0799 0.3397 0.7554
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0262 0.0898 0.1343
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0872 0.3736 0.368
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0436 0.1707 0.4439
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0209 0.0648 0.0859
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0529 0.214 0.214
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0146 0.0358 0.0273
Trichomonas vaginalis PIKK family atypical protein kinase 0.0741 0.3127 0.6884
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0209 0.0648 0.0565
Loa Loa (eye worm) phosphatidylinositol 3 0.0189 0.0557 0.0978
Loa Loa (eye worm) hypothetical protein 0.029 0.1027 0.1911
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.2218 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0799 0.3397 0.7554
Toxoplasma gondii FATC domain-containing protein 0.0393 0.1508 0.3783
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0872 0.3736 0.8528
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0601 0.2475 0.6266
Loa Loa (eye worm) hypothetical protein 0.0206 0.0637 0.1137
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0553 0.2253 0.471
Echinococcus multilocularis 0.0146 0.0358 0.0358
Loa Loa (eye worm) phosphatidylinositol kinase 0.0146 0.0358 0.0585
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0335 0.1237 0.2185
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0335 0.1237 0.2185
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0872 0.3736 0.3736
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0209 0.0648 0.0648
Trichomonas vaginalis PIKK family atypical protein kinase 0.0756 0.3196 0.7054
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0209 0.0648 0.148
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0146 0.0358 0.0358
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0209 0.0648 0.0648
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0209 0.0648 0.0955
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0872 0.3736 0.3736
Trichomonas vaginalis PIKK family atypical protein kinase 0.0741 0.3127 0.6884
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0209 0.0648 0.1161
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.1293 0.5694 0.5694
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0209 0.0648 1
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0146 0.0358 0.0358
Trichomonas vaginalis PIKK family atypical protein kinase 0.0799 0.3397 0.7554
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0872 0.3736 0.8397
Entamoeba histolytica protein kinase rad3, putative 0.0393 0.1508 0.3404
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0146 0.0358 0.0358
Leishmania major phosphatidylinositol 4-kinase, putative 0.0146 0.0358 0.0818
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.1293 0.5694 0.5694
Trichomonas vaginalis PIKK family atypical protein kinase 0.0799 0.3397 0.7554
Loa Loa (eye worm) phosphatidylinositol 3 0.0146 0.0358 0.0585
Trichomonas vaginalis PIKK family atypical protein kinase 0.0509 0.2048 0.4201
Trichomonas vaginalis PIKK family atypical protein kinase 0.0741 0.3127 0.6884
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0529 0.214 0.214
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0146 0.0358 0.0358
Loa Loa (eye worm) phosphatidylinositol 3 0.0146 0.0358 0.0585
Schistosoma mansoni hypothetical protein 0.0146 0.0358 0.0358
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0683 0.2857 0.6211
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0209 0.0648 0.0565
Schistosoma mansoni fkbp-rapamycin associated protein 0.0393 0.1508 0.1508
Loa Loa (eye worm) hypothetical protein 0.0436 0.1707 0.326
Giardia lamblia GTOR 0.0872 0.3736 1
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0209 0.0648 0.0721
Loa Loa (eye worm) hypothetical protein 0.0327 0.1202 0.2258
Loa Loa (eye worm) hypothetical protein 0.0146 0.0358 0.0585
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0393 0.1508 0.1508
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0335 0.1237 0.1159
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0546 0.2217 0.2217
Onchocerca volvulus 0.0146 0.0358 0.4851
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0189 0.0557 0.0473
Leishmania major hypothetical protein, conserved 0.0234 0.0769 0.1755
Trichomonas vaginalis PIKK family atypical protein kinase 0.0721 0.3032 0.6647
Trichomonas vaginalis PIKK family atypical protein kinase 0.1011 0.4381 1
Echinococcus multilocularis serine protein kinase ATM 0.0393 0.1508 0.1508
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0209 0.0648 0.0859
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.2218 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0247 0.0827 0.1166
Onchocerca volvulus CoRest homolog 0.0206 0.0637 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0741 0.3127 0.6884
Entamoeba histolytica hypothetical protein 0.0621 0.2567 0.6538
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0395 0.1516 0.1516
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0209 0.0648 0.0648
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0335 0.1237 0.1237
Mycobacterium tuberculosis Conserved hypothetical protein 0.0146 0.0358 1
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0747 0.3155 0.6954
Trichomonas vaginalis PIKK family atypical protein kinase 0.0683 0.2857 0.6211
Leishmania major phosphatidylinositol 3-related kinase, putative 0.1011 0.4381 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0872 0.3736 0.8397
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0393 0.1508 0.2858
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0393 0.1508 0.1508
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0146 0.0358 0.0358
Trichomonas vaginalis PIKK family atypical protein kinase 0.0567 0.2316 0.4866
Loa Loa (eye worm) hypothetical protein 0.009 0.0096 0.0065
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0393 0.1508 0.1508
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0872 0.3736 0.8397
Trichomonas vaginalis PIKK family atypical protein kinase 0.0204 0.0628 0.067
Trichomonas vaginalis conserved hypothetical protein 0.0436 0.1707 0.3353
Loa Loa (eye worm) hypothetical protein 0.0247 0.0827 0.1515
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0747 0.3155 0.3095
Onchocerca volvulus 0.0146 0.0358 0.4851
Trichomonas vaginalis PIKK family atypical protein kinase 0.0872 0.3736 0.8397
Loa Loa (eye worm) hypothetical protein 0.0218 0.0693 0.1249
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0209 0.0648 0.0721
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0209 0.0648 1
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0146 0.0358 0.0273
Trichomonas vaginalis PIKK family atypical protein kinase 0.0814 0.3465 0.7724
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.0146 0.0358 0.0273
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0083 0.0063 0.0063
Trichomonas vaginalis PIKK family atypical protein kinase 0.0756 0.3196 0.7054
Trichomonas vaginalis PIKK family atypical protein kinase 0.0814 0.3465 0.7724
Brugia malayi Myb-like DNA-binding domain containing protein 0.02 0.0609 0.0609
Trypanosoma cruzi target of rapamycin kinase 3 0.0814 0.3466 0.3408
Trichomonas vaginalis PIKK family atypical protein kinase 0.0509 0.2048 0.4201
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0069 0 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0814 0.3465 0.7724
Trichomonas vaginalis PIKK family atypical protein kinase 0.0814 0.3465 0.7724
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0146 0.0358 0.0273
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0403 0.1551 0.3532
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0872 0.3736 0.368
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0069 0 0.5
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0146 0.0358 0.0358
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0872 0.3736 0.8528
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.1011 0.4381 1
Loa Loa (eye worm) phosphatidylinositol 3 0.1011 0.4381 0.8563
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0209 0.0648 0.0721
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.029 0.1027 0.1027
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0335 0.1237 0.1237
Mycobacterium leprae conserved hypothetical protein 0.0146 0.0358 0.5
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0621 0.2567 0.6538
Entamoeba histolytica hypothetical protein 0.0393 0.1508 0.3404
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0146 0.0358 0.0358
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0146 0.0358 0.0358
Leishmania major phosphatidylinositol kinase related protein, putative 0.0146 0.0358 0.0818
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0427 0.1664 0.3866
Leishmania major phosphatidylinositol 3-kinase, putative 0.0683 0.2857 0.6521
Loa Loa (eye worm) phosphatidylinositol 3 0.1166 0.5106 1

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) = 25.1 % Inhibition of recombinant LSD1/CoREST (unknown origin) assessed as residual activity at 10 uM incubated for 30 mins to 4 hrs by fluorescence based assay relative to control ChEMBL. 25580204
FC (binding) = 1.33 Inhibition of LSD1 in human Calu6 cells assessed as H3K4me2 level at 10 uM incubated for 48 hrs by immunofluorescence staining method ChEMBL. 25580204
IC50 (binding) = 2.22 uM Inhibition of recombinant LSD1/CoREST (unknown origin) assessed as residual activity for 30 mins to 4 hrs by fluorescence based assay relative to control ChEMBL. 25580204
IC50 (functional) = 74 uM Cytotoxicity against human PC3 cells assessed as cell viability incubated for 48 to 72 hrs by MTS method ChEMBL. 25580204
IC50 (binding) > 100 uM Inhibition of MAOA (unknown origin) by luminiscent assay ChEMBL. 25580204
IC50 (binding) > 100 uM Inhibition of MAOB (unknown origin) by luminiscent assay ChEMBL. 25580204
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.4179 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) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 24.9271 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 125.8925 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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