Detailed information for compound 1437940

Basic information

Technical information
  • TDR Targets ID: 1437940
  • Name: 5-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-y l)pyrrol-3-yl]-2-oxoethyl]sulfanyl-4-propyl-2 H-1,2,4-triazol-3-one
  • MW: 375.445 | Formula: C17H21N5O3S
  • H donors: 1 H acceptors: 5 LogP: 2.87 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCn1c(SCC(=O)c2cc(n(c2C)c2noc(c2)C)C)nnc1O
  • InChi: 1S/C17H21N5O3S/c1-5-6-21-16(24)18-19-17(21)26-9-14(23)13-7-10(2)22(12(13)4)15-8-11(3)25-20-15/h7-8H,5-6,9H2,1-4H3,(H,18,24)
  • InChiKey: XUQVNZXAACWOLT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-[2-[2,5-dimethyl-1-(5-methylisoxazol-3-yl)pyrrol-3-yl]-2-oxo-ethyl]sulfanyl-4-propyl-2H-1,2,4-triazol-3-one
  • 5-[[2-[2,5-dimethyl-1-(5-methyl-3-isoxazolyl)-3-pyrrolyl]-2-oxoethyl]thio]-4-propyl-2H-1,2,4-triazol-3-one
  • 5-[[2-[2,5-dimethyl-1-(5-methylisoxazol-3-yl)pyrrol-3-yl]-2-keto-ethyl]thio]-4-propyl-2H-1,2,4-triazol-3-one
  • 5-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxo-ethyl]sulfanyl-4-propyl-2H-1,2,4-triazol-3-one
  • T5573547
  • ZINC03456400

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens parathyroid hormone 1 receptor Starlite/ChEMBL No references
Homo sapiens RAN, member RAS oncogene family No references
Homo sapiens snurportin 1 No references
Homo sapiens karyopherin (importin) beta 1 No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Babesia bovis GTP-binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Neospora caninum GTP-binding nuclear protein Ran, related Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum Importin subunit beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei gambiense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Babesia bovis importin beta subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma congolense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Importin subunit beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum ko:K07936 GTP-binding nuclear protein Ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Trichomonas vaginalis importin beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni importin beta-1 Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania donovani GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania major GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium knowlesi importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania major importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Giardia lamblia GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium knowlesi GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania braziliensis GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium yoelii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium berghei GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Theileria parva GTP-binding nuclear protein ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium falciparum importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium parvum GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium hominis GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania braziliensis importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Trypanosoma cruzi importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei gambiense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Entamoeba histolytica Ran family GTPase Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium vivax importin-beta 2, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Leishmania infantum importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania infantum GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania donovani importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma congolense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania mexicana GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium yoelii importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania mexicana importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium hominis importin-beta2 Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi Importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
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 serine protein kinase ATM 0.0345 0.1195 0.1155
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0179 0.0316 0.0663
Loa Loa (eye worm) phosphatidylinositol 3 0.0128 0.0044 0.0099
Trichomonas vaginalis PIKK family atypical protein kinase 0.06 0.2544 0.6112
Leishmania major phosphatidylinositol 3-kinase, putative 0.06 0.2544 0.6112
Loa Loa (eye worm) phosphatidylinositol 3 0.0967 0.4484 1
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0431 0.1647 0.3918
Loa Loa (eye worm) phosphatidylinositol 3 0.0901 0.4135 0.9221
Trichomonas vaginalis PIKK family atypical protein kinase 0.0901 0.4135 1
Brugia malayi Matrixin family protein 0.013 0.0057 0.0013
Echinococcus granulosus a disintegrin and metalloproteinase with 0.029 0.0901 0.0861
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0179 0.0316 0.0273
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0338 0.116 0.3358
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0756 0.3367 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0708 0.3113 0.7503
Trichomonas vaginalis PIKK family atypical protein kinase 0.0708 0.3113 0.7503
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0443 0.171 0.1674
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0383 0.1394 0.4491
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0756 0.3367 0.3337
Loa Loa (eye worm) phosphatidylinositol 3 0.0128 0.0044 0.0099
Trichomonas vaginalis PIKK family atypical protein kinase 0.0708 0.3113 0.7503
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0179 0.0316 0.0273
Trichomonas vaginalis PIKK family atypical protein kinase 0.0708 0.3113 0.7503
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0708 0.3114 0.7505
Trichomonas vaginalis PIKK family atypical protein kinase 0.066 0.2861 0.6886
Trichomonas vaginalis PIKK family atypical protein kinase 0.0756 0.3367 0.8121
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0179 0.0316 0.0704
Loa Loa (eye worm) hypothetical protein 0.0255 0.0719 0.1603
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0179 0.0316 0.0273
Trichomonas vaginalis PIKK family atypical protein kinase 0.0441 0.17 0.4047
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0756 0.3367 0.8121
Trichomonas vaginalis PIKK family atypical protein kinase 0.0648 0.2796 0.6728
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0283 0.0866 0.2474
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0179 0.0316 0.0273
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0217 0.0519 0.0477
Entamoeba histolytica hypothetical protein 0.0345 0.1195 0.3462
Loa Loa (eye worm) matrixin family protein 0.013 0.0057 0.0127
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 0.1336 0.2979
Entamoeba histolytica hypothetical protein 0.0518 0.211 0.6217
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0345 0.1195 0.1155
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0901 0.4135 1
Giardia lamblia GTOR 0.0756 0.3367 1
Schistosoma mansoni ADAM17 peptidase (M12 family) 0.0613 0.2614 0.2581
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0622 0.266 0.7874
Trichomonas vaginalis PIKK family atypical protein kinase 0.06 0.2544 0.6112
Trichomonas vaginalis conserved hypothetical protein 0.0383 0.1394 0.33
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0196 0.0403 0.0361
Trichomonas vaginalis PIKK family atypical protein kinase 0.0648 0.2796 0.6728
Trichomonas vaginalis PIKK family atypical protein kinase 0.0175 0.0296 0.0616
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0345 0.1195 0.1155
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.2009 1 1
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0179 0.0316 0.0273
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0283 0.0866 0.2009
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0179 0.0316 0.0903
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0622 0.266 0.2628
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0901 0.4135 1
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0179 0.0316 0.0817
Trichomonas vaginalis conserved hypothetical protein 0.0255 0.0719 0.1649
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0358 0.1265 0.3676
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0179 0.0316 0.0663
Loa Loa (eye worm) hypothetical protein 0.0301 0.0959 0.214
Schistosoma mansoni ADAMTS5 peptidase (M12 family) 0.029 0.0901 0.0861
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0345 0.1195 0.2812
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0494 0.1985 0.5841
Trichomonas vaginalis PIKK family atypical protein kinase 0.0345 0.1195 0.2812
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0255 0.0719 0.0677
Loa Loa (eye worm) hypothetical protein 0.018 0.0319 0.0711
Trichomonas vaginalis PIKK family atypical protein kinase 0.0441 0.17 0.4047
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0756 0.3367 0.3337
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0462 0.1816 0.4331
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0443 0.171 0.1674
Echinococcus granulosus adam 17 protease 0.0631 0.2706 0.2674
Loa Loa (eye worm) phosphatidylinositol 3 0.0128 0.0044 0.0099
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0622 0.266 0.2628
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0345 0.1195 0.1155
Onchocerca volvulus 0.0128 0.0044 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0756 0.3367 0.7508
Trichomonas vaginalis PIKK family atypical protein kinase 0.0696 0.305 0.7347
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.1071 0.5035 0.5013
Trichomonas vaginalis PIKK family atypical protein kinase 0.0696 0.305 0.7347
Mycobacterium leprae conserved hypothetical protein 0.0128 0.0044 0.5
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0179 0.0316 0.0663
Trichomonas vaginalis PIKK family atypical protein kinase 0.0756 0.3367 0.8121
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0179 0.0316 0.0273
Loa Loa (eye worm) hypothetical protein 0.0217 0.0519 0.1158
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0255 0.0719 0.0677
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.1071 0.5035 0.5013
Trichomonas vaginalis PIKK family atypical protein kinase 0.0646 0.2785 0.67
Schistosoma mansoni hypothetical protein 0.0255 0.0719 0.0677
Loa Loa (eye worm) hypothetical protein 0.0345 0.1195 0.2664
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0179 0.0316 0.0663
Echinococcus granulosus Blood coagulation inhibitor Disintegrin 0.0341 0.1174 0.1135
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0223 0.0549 0.1235
Trichomonas vaginalis PIKK family atypical protein kinase 0.066 0.2861 0.6886
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0756 0.3367 0.8121
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0179 0.0316 0.0273
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0345 0.1195 0.1155
Toxoplasma gondii target of rapamycin (TOR), putative 0.0696 0.305 1
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0756 0.3367 0.8121
Brugia malayi FAT domain containing protein 0.0255 0.0719 0.0677
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0179 0.0316 0.0663
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0283 0.0866 0.2474
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.2009 1 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0155 0.0191 0.0426
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0179 0.0316 0.0903
Trichomonas vaginalis PIKK family atypical protein kinase 0.06 0.2544 0.6112
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0518 0.211 0.6217
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0283 0.0866 0.0826
Trichomonas vaginalis PIKK family atypical protein kinase 0.0696 0.305 0.7347
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0756 0.3367 1
Echinococcus multilocularis Zinc finger, PHD finger 0.0179 0.0316 0.0273
Trichomonas vaginalis PIKK family atypical protein kinase 0.0441 0.17 0.4047
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0622 0.266 0.6395
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0462 0.1816 0.4331
Echinococcus multilocularis adam 17 protease 0.0613 0.2614 0.2581
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0196 0.0403 0.0361
Trichomonas vaginalis PIKK family atypical protein kinase 0.0696 0.305 0.7347
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0622 0.266 0.6395
Toxoplasma gondii FATC domain-containing protein 0.0345 0.1195 0.3828
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0179 0.0316 0.0817
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0179 0.0316 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.06 0.2544 0.6112
Trichomonas vaginalis PIKK family atypical protein kinase 0.0708 0.3113 0.7503
Trichomonas vaginalis PIKK family atypical protein kinase 0.0345 0.1195 0.2812
Schistosoma mansoni hypothetical protein 0.0372 0.1336 0.1297
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.1071 0.5035 0.5013
Loa Loa (eye worm) hypothetical protein 0.0599 0.254 0.5665
Brugia malayi metalloprotease disintegrin 16 with thrombospondin type I motif 0.029 0.0901 0.0861
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0646 0.2785 0.825
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.2009 1 1
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0283 0.0866 0.2009
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.06 0.2544 0.6112
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.2009 1 1
Echinococcus multilocularis Blood coagulation inhibitor, Disintegrin 0.0341 0.1174 0.1135
Echinococcus multilocularis a disintegrin and metalloproteinase with 0.029 0.0901 0.0861
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0179 0.0316 0.0273
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0283 0.0866 0.0826
Trichomonas vaginalis PIKK family atypical protein kinase 0.049 0.1963 0.4691
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0756 0.3367 0.3337
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0283 0.0866 0.2009
Trichomonas vaginalis PIKK family atypical protein kinase 0.0648 0.2797 0.673
Trypanosoma cruzi target of rapamycin kinase 3 0.0708 0.3114 0.3084
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0622 0.266 0.6395
Trichomonas vaginalis PIKK family atypical protein kinase 0.0648 0.2797 0.673
Trichomonas vaginalis PIKK family atypical protein kinase 0.0648 0.2796 0.6728
Loa Loa (eye worm) phosphatidylinositol 3 0.0128 0.0044 0.0099
Trichomonas vaginalis PIKK family atypical protein kinase 0.0453 0.1764 0.4203
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.2009 1 1
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0622 0.266 0.2628
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0179 0.0316 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.05 0.2017 0.4822
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0756 0.3367 0.8121
Echinococcus multilocularis snurportin 1 0.0372 0.1336 0.1297
Trichomonas vaginalis PIKK family atypical protein kinase 0.0648 0.2797 0.673
Trichomonas vaginalis conserved hypothetical protein 0.0217 0.0519 0.1161
Loa Loa (eye worm) hypothetical protein 0.0301 0.0959 0.214
Trichomonas vaginalis PIKK family atypical protein kinase 0.0648 0.2797 0.673
Mycobacterium tuberculosis Conserved hypothetical protein 0.0128 0.0044 0.5
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0283 0.0866 0.2009
Loa Loa (eye worm) hypothetical protein 0.0443 0.171 0.3815
Schistosoma mansoni fkbp-rapamycin associated protein 0.0345 0.1195 0.1155
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0756 0.3367 0.3337
Loa Loa (eye worm) phosphatidylinositol kinase 0.0128 0.0044 0.0099
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0449 0.1743 0.1707
Loa Loa (eye worm) hypothetical protein 0.0128 0.0044 0.0099
Onchocerca volvulus 0.0128 0.0044 1
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0232 0.0595 0.1657
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0756 0.3367 0.3337
Echinococcus granulosus serine protein kinase ATM 0.0345 0.1195 0.1155
Trichomonas vaginalis PIKK family atypical protein kinase 0.0756 0.3367 0.8121
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0443 0.171 0.1674
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0345 0.1195 0.1155
Trichomonas vaginalis PIKK family atypical protein kinase 0.0696 0.305 0.7347
Trichomonas vaginalis PIKK family atypical protein kinase 0.0696 0.305 0.7347
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0345 0.1195 0.1155
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0345 0.1195 0.1155
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0283 0.0866 0.0826
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0155 0.0191 0.0147
Trichomonas vaginalis PIKK family atypical protein kinase 0.0696 0.305 0.7347
Entamoeba histolytica protein kinase rad3, putative 0.0345 0.1195 0.3462
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0756 0.3367 0.3337
Trichomonas vaginalis PIKK family atypical protein kinase 0.0217 0.0519 0.1161
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0708 0.3114 0.7505
Loa Loa (eye worm) hypothetical protein 0.0383 0.1394 0.3109
Leishmania major phosphatidylinositol 3-kinase, putative 0.0179 0.0316 0.0663
Echinococcus granulosus snurportin 1 0.0372 0.1336 0.1297

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.5174 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 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) 29.0929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference

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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