Detailed information for compound 1268066

Basic information

Technical information
  • TDR Targets ID: 1268066
  • Name: N-butyl-2-[[5-methyl-2-(4-methylphenyl)-1,3-o xazol-4-yl]methylsulfinyl]acetamide
  • MW: 348.46 | Formula: C18H24N2O3S
  • H donors: 2 H acceptors: 3 LogP: 3.37 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCNC(=O)C[S+](Cc1nc(oc1C)c1ccc(cc1)C)[O-]
  • InChi: 1S/C18H24N2O3S/c1-4-5-10-19-17(21)12-24(22)11-16-14(3)23-18(20-16)15-8-6-13(2)7-9-15/h6-9H,4-5,10-12H2,1-3H3,(H,19,21)
  • InChiKey: CNOPYMHCKAHCEQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-butyl-2-[[5-methyl-2-(4-methylphenyl)oxazol-4-yl]methylsulfinyl]acetamide
  • N-butyl-2-[[5-methyl-2-(4-methylphenyl)-4-oxazolyl]methylsulfinyl]acetamide
  • N-butyl-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]ethanamide
  • MLS000117658
  • SMR000094606

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens karyopherin (importin) beta 1 No references
Homo sapiens snurportin 1 No references
Homo sapiens thyroid stimulating hormone receptor Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens RAN, member RAS oncogene family No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium berghei GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania major importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania infantum 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
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
Plasmodium knowlesi GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans karyopherin-beta 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
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Leishmania braziliensis GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium yoelii importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Toxoplasma gondii HEAT repeat-containing protein 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
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Babesia bovis GTP-binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Babesia bovis importin beta subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus GTP binding nuclear protein Ran 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 braziliensis importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium hominis GTP-binding nuclear protein ran/tc4 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
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
Trichomonas vaginalis importin beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Leishmania mexicana importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Neospora caninum hypothetical protein 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
Loa Loa (eye worm) follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Trypanosoma brucei gambiense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium parvum GTP-binding nuclear protein ran/tc4 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
Leishmania donovani importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium yoelii 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
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
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
Brugia malayi follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
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
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei 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
Brugia malayi Importin beta-1 subunit 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
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Trypanosoma congolense GTP-binding nuclear protein rtb2, putative 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
Giardia lamblia GTP-binding nuclear protein RAN/TC4 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
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma congolense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania infantum importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi importin beta-1 subunit, putative 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
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Theileria parva GTP-binding nuclear protein ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania mexicana GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) hypothetical protein 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 falciparum importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0331 0.1495 0.1192
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0228 0.0924 0.1637
Loa Loa (eye worm) phosphatidylinositol 3 0.0157 0.053 0.1056
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0852 0.4372 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0608 0.3022 0.6647
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0123 0.0345 0.0345
Trichomonas vaginalis PIKK family atypical protein kinase 0.0634 0.3164 0.7001
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.028 0.121 0.2148
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0123 0.0345 0.0345
Trichomonas vaginalis conserved hypothetical protein 0.0368 0.1695 0.3353
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0175 0.063 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.052 0.2535 0.5438
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0622 0.3098 0.7778
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0245 0.1015 0.0694
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0175 0.063 0.0709
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0175 0.063 0.0296
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.1872 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0576 0.2846 0.621
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0622 0.3098 0.6837
Loa Loa (eye worm) hypothetical protein 0.0441 0.2098 0.4182
Trichomonas vaginalis PIKK family atypical protein kinase 0.0447 0.2134 0.4443
Mycobacterium leprae conserved hypothetical protein 0.0123 0.0345 0.5
Brugia malayi RNA, U transporter 1 0.0099 0.0212 0.0212
Trichomonas vaginalis PIKK family atypical protein kinase 0.0692 0.3484 0.7796
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.1074 0.5598 0.544
Trichomonas vaginalis PIKK family atypical protein kinase 0.0692 0.3484 0.7796
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0764 0.3885 0.3667
Schistosoma mansoni fkbp-rapamycin associated protein 0.0331 0.1495 0.1192
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0461 0.221 0.4631
Echinococcus multilocularis serine protein kinase ATM 0.0331 0.1495 0.1192
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.028 0.121 0.0896
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.028 0.121 0.2444
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0764 0.3885 0.3667
Echinococcus multilocularis snurportin 1 0.0372 0.1717 0.1422
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0175 0.063 0.0296
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0208 0.0816 0.0488
Entamoeba histolytica protein kinase rad3, putative 0.0331 0.1495 0.325
Trichomonas vaginalis PIKK family atypical protein kinase 0.0764 0.3885 0.8791
Loa Loa (eye worm) hypothetical protein 0.0368 0.1695 0.3378
Trichomonas vaginalis PIKK family atypical protein kinase 0.0764 0.3885 0.8791
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0441 0.2098 0.2098
Trichomonas vaginalis PIKK family atypical protein kinase 0.0706 0.3565 0.7996
Trypanosoma cruzi target of rapamycin kinase 3 0.0707 0.3566 0.3337
Echinococcus granulosus snurportin 1 0.0372 0.1717 0.1422
Loa Loa (eye worm) phosphatidylinositol 3 0.0969 0.5018 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0576 0.2846 0.621
Entamoeba histolytica hypothetical protein 0.0517 0.2519 0.6141
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0331 0.1495 0.1192
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0123 0.0345 0.0345
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.028 0.121 0.2148
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0175 0.063 0.0296
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.028 0.121 0.2444
Loa Loa (eye worm) phosphatidylinositol 3 0.0123 0.0345 0.0687
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0852 0.4372 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0852 0.4372 0.8713
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0331 0.1495 0.1192
Trichomonas vaginalis PIKK family atypical protein kinase 0.0498 0.2414 0.5139
Trichomonas vaginalis PIKK family atypical protein kinase 0.0331 0.1495 0.2857
Loa Loa (eye worm) phosphatidylinositol 3 0.0123 0.0345 0.0687
Echinococcus granulosus serine protein kinase ATM 0.0331 0.1495 0.1192
Trichomonas vaginalis PIKK family atypical protein kinase 0.0576 0.2846 0.621
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0764 0.3885 0.3667
Trichomonas vaginalis PIKK family atypical protein kinase 0.0852 0.4372 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0649 0.3246 0.7205
Trichomonas vaginalis PIKK family atypical protein kinase 0.0706 0.3565 0.7996
Echinococcus multilocularis Zinc finger, PHD finger 0.0175 0.063 0.0296
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0707 0.3566 0.7999
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0707 0.3566 0.7999
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0175 0.063 1
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0175 0.063 0.0296
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0239 0.0983 0.1586
Trichomonas vaginalis PIKK family atypical protein kinase 0.0634 0.3166 0.7005
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0764 0.3885 0.3667
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0175 0.063 0.0807
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 0.1717 0.3423
Loa Loa (eye worm) phosphatidylinositol 3 0.0764 0.3885 0.7742
Trichomonas vaginalis PIKK family atypical protein kinase 0.0208 0.0816 0.1169
Loa Loa (eye worm) hypothetical protein 0.0123 0.0345 0.0687
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0461 0.221 0.4631
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0764 0.3885 0.8791
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0175 0.063 0.063
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0608 0.3022 0.7562
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.1872 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0447 0.2134 0.4443
Trichomonas vaginalis PIKK family atypical protein kinase 0.0634 0.3166 0.7005
Trichomonas vaginalis PIKK family atypical protein kinase 0.0634 0.3166 0.7005
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.028 0.121 0.2148
Onchocerca volvulus 0.0123 0.0345 0.5
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0175 0.063 0.0807
Trichomonas vaginalis PIKK family atypical protein kinase 0.0634 0.3164 0.7001
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0356 0.163 0.3631
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0175 0.063 0.0296
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.028 0.121 0.0896
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.028 0.121 0.121
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1872 1 1
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0576 0.2846 0.621
Trichomonas vaginalis PIKK family atypical protein kinase 0.0634 0.3164 0.7001
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0622 0.3098 0.6837
Trichomonas vaginalis PIKK family atypical protein kinase 0.0706 0.3565 0.7996
Trichomonas vaginalis PIKK family atypical protein kinase 0.0634 0.3166 0.7005
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0764 0.3885 0.8791
Brugia malayi FAT domain containing protein 0.0245 0.1015 0.1015
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0453 0.2164 0.2164
Loa Loa (eye worm) hypothetical protein 0.0276 0.1191 0.2374
Loa Loa (eye worm) phosphatidylinositol 3 0.0123 0.0345 0.0687
Trichomonas vaginalis PIKK family atypical protein kinase 0.0692 0.3484 0.7796
Schistosoma mansoni hypothetical protein 0.0245 0.1015 0.0694
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.028 0.121 0.2148
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0331 0.1495 0.2857
Trichomonas vaginalis PIKK family atypical protein kinase 0.0692 0.3484 0.7796
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0336 0.1519 0.3317
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0175 0.063 0.0296
Trichomonas vaginalis PIKK family atypical protein kinase 0.0706 0.3565 0.7996
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0368 0.1695 0.4301
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0175 0.063 0.091
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0764 0.3885 0.3667
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0331 0.1495 0.1495
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0441 0.2098 0.1816
Giardia lamblia GTOR 0.0764 0.3885 1
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0331 0.1495 0.1192
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0426 0.2015 0.4147
Loa Loa (eye worm) hypothetical protein 0.0276 0.1191 0.2374
Trichomonas vaginalis PIKK family atypical protein kinase 0.0692 0.3484 0.7796
Trichomonas vaginalis PIKK family atypical protein kinase 0.0331 0.1495 0.2857
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0441 0.2098 0.1816
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0764 0.3885 0.3885
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0764 0.3885 0.8791
Entamoeba histolytica hypothetical protein 0.0331 0.1495 0.325
Trichomonas vaginalis PIKK family atypical protein kinase 0.0181 0.0663 0.0791
Trichomonas vaginalis PIKK family atypical protein kinase 0.0462 0.2215 0.4644
Leishmania major phosphatidylinositol 3-kinase, putative 0.0175 0.063 0.0709
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0517 0.2519 0.6141
Loa Loa (eye worm) phosphatidylinositol 3 0.0123 0.0345 0.0687
Loa Loa (eye worm) hypothetical protein 0.0245 0.1015 0.2023
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1872 1 1
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0157 0.053 0.0192
Loa Loa (eye worm) hypothetical protein 0.0181 0.0665 0.1324
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0764 0.3885 1
Toxoplasma gondii FATC domain-containing protein 0.0331 0.1495 0.3665
Trichomonas vaginalis PIKK family atypical protein kinase 0.0692 0.3484 0.7796
Trichomonas vaginalis PIKK family atypical protein kinase 0.0447 0.2134 0.4443
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0622 0.3098 0.6837
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0175 0.063 0.0296
Trichomonas vaginalis conserved hypothetical protein 0.0245 0.1015 0.1665
Schistosoma mansoni hypothetical protein 0.0372 0.1717 0.1422
Trichomonas vaginalis PIKK family atypical protein kinase 0.0692 0.3484 0.7796
Trichomonas vaginalis PIKK family atypical protein kinase 0.0764 0.3885 0.8791
Loa Loa (eye worm) hypothetical protein 0.0208 0.0816 0.1625
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0622 0.3098 0.2852
Trichomonas vaginalis conserved hypothetical protein 0.0208 0.0816 0.1169
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.1074 0.5598 0.544
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0175 0.063 0.0709
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0175 0.063 0.0709
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0764 0.3885 1
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0764 0.3885 0.8791
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0175 0.063 0.1256
Trichomonas vaginalis PIKK family atypical protein kinase 0.0649 0.3246 0.7205
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0175 0.063 0.091
Loa Loa (eye worm) follicle stimulating hormone receptor 0.028 0.1209 0.241
Loa Loa (eye worm) phosphatidylinositol kinase 0.0123 0.0345 0.0687
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0331 0.1495 0.1495
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.1199 1
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0622 0.3098 0.2852
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0499 0.2418 0.5857
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.1074 0.5598 0.544
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0245 0.1015 0.0694
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.1872 1 1
Toxoplasma gondii target of rapamycin (TOR), putative 0.0692 0.3484 1
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0175 0.063 0.0709
Trichomonas vaginalis PIKK family atypical protein kinase 0.0576 0.2846 0.621
Loa Loa (eye worm) hypothetical protein 0.0331 0.1495 0.298
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0331 0.1495 0.1192
Leishmania major phosphatidylinositol 3-kinase, putative 0.0576 0.2846 0.621
Trichomonas vaginalis PIKK family atypical protein kinase 0.0706 0.3565 0.7996
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0175 0.063 0.0709
Onchocerca volvulus 0.0123 0.0345 0.5
Brugia malayi follicle stimulating hormone receptor 0.028 0.1209 0.1209
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0622 0.3098 0.3098

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.1 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) = 1.122 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) = 1.2589 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.9953 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) = 44.6684 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) 79.4328 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 89.1251 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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