Detailed information for compound 1431615

Basic information

Technical information
  • TDR Targets ID: 1431615
  • Name: N-[1-(6-bicyclo[2.2.1]heptanyl)ethyl]-4-(4-fl uorophenyl)-4-oxobutanamide
  • MW: 317.398 | Formula: C19H24FNO2
  • H donors: 1 H acceptors: 2 LogP: 3.62 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NC(C1CC2CC1CC2)C)CCC(=O)c1ccc(cc1)F
  • InChi: 1S/C19H24FNO2/c1-12(17-11-13-2-3-15(17)10-13)21-19(23)9-8-18(22)14-4-6-16(20)7-5-14/h4-7,12-13,15,17H,2-3,8-11H2,1H3,(H,21,23)
  • InChiKey: VNRRZAQYCVATQC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(4-fluorophenyl)-N-(1-norbornan-2-ylethyl)-4-oxo-butanamide
  • 4-(4-fluorophenyl)-N-[1-(2-norbornanyl)ethyl]-4-oxobutanamide
  • 4-(4-fluorophenyl)-4-keto-N-[1-(2-norbornyl)ethyl]butyramide
  • N-[1-(6-bicyclo[2.2.1]heptanyl)ethyl]-4-(4-fluorophenyl)-4-oxo-butanamide
  • SMR000385486
  • T0514-5655
  • MLS001033039

Targets

Known targets for this compound

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

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 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
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Entamoeba histolytica Ran family GTPase 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
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania infantum importin beta-1 subunit, 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
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Leishmania braziliensis 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
Cryptosporidium parvum importin/karyopherin 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
Candida albicans Ran, Ras family GTP-binding protein 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
Theileria parva importin beta, 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
Trypanosoma cruzi GTP-binding nuclear protein rtb2, 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
Cryptosporidium hominis GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis importin subunit beta 1 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
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Candida albicans karyopherin-beta 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
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
Echinococcus granulosus snurportin 1 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
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
Trypanosoma brucei importin beta-1 subunit, putative 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
Neospora caninum GTP-binding nuclear protein Ran, related 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 GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania mexicana importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum ko:K07936 GTP-binding nuclear protein Ran, putative 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
Trichomonas vaginalis ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania donovani GTP-binding protein, 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
Cryptosporidium parvum GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni importin beta-1 Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Importin subunit beta, 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
Trichomonas vaginalis importin beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni 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
Echinococcus granulosus GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum Importin subunit beta-1, 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
Trypanosoma congolense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei gambiense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Babesia bovis importin beta subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans karyopherin-beta 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
Plasmodium berghei 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
Plasmodium knowlesi GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania braziliensis GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei GTP-binding nuclear protein rtb2, 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
Plasmodium vivax importin-beta 2, putative Get druggable targets OG5_127843 All targets in OG5_127843
Theileria parva GTP-binding nuclear protein ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
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
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
Giardia lamblia GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0056 0.0253 0.0253
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0041 0.0074 0.0074
Trichomonas vaginalis conserved hypothetical protein 0.0182 0.1777 0.1742
Loa Loa (eye worm) phosphatidylinositol kinase 0.0056 0.0253 0.0253
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0226 0.2303 0.2103
Schistosoma mansoni immunophilin 0.0195 0.1928 0.1928
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0056 0.0253 0.0253
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.0226 0.2303 0.2303
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.029 0.3075 0.3075
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0866 1 1
Trypanosoma cruzi target of rapamycin kinase 3 0.0689 0.7877 0.7822
Trichomonas vaginalis PIKK family atypical protein kinase 0.0056 0.0253 0.0212
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0056 0.0253 0.0253
Loa Loa (eye worm) hypothetical protein 0.0036 0.0009 0.0009
Trichomonas vaginalis PIKK family atypical protein kinase 0.0644 0.733 0.7319
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0056 0.0253 0.0212
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0056 0.0253 0.1099
Trichomonas vaginalis PIKK family atypical protein kinase 0.0467 0.5207 0.5187
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0056 0.0253 0.0212
Trichomonas vaginalis PIKK family atypical protein kinase 0.0644 0.733 0.7319
Trichomonas vaginalis PIKK family atypical protein kinase 0.0517 0.5807 0.5789
Trichomonas vaginalis PIKK family atypical protein kinase 0.0644 0.733 0.7319
Mycobacterium leprae conserved hypothetical protein 0.0056 0.0253 0.5
Leishmania major fk506-binding protein 1-like protein 0.0226 0.2303 0.2103
Trichomonas vaginalis conserved hypothetical protein 0.0127 0.1104 0.1067
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 0.4055 0.4055
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0127 0.1104 0.1104
Trichomonas vaginalis PIKK family atypical protein kinase 0.0866 1 1
Echinococcus multilocularis Zinc finger, PHD finger 0.0056 0.0253 0.0253
Trypanosoma brucei cytochrome P450, putative 0.0083 0.0579 0.0579
Brugia malayi RNA, U transporter 1 0.0099 0.0773 0.0773
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0056 0.0253 0.1099
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0056 0.0253 0.0253
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0056 0.0253 0.0345
Toxoplasma gondii target of rapamycin (TOR), putative 0.0644 0.733 1
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0056 0.0253 0.0253
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0226 0.2303 0.2303
Trichomonas vaginalis PIKK family atypical protein kinase 0.0644 0.733 0.7319
Trichomonas vaginalis PIKK family atypical protein kinase 0.0581 0.657 0.6555
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0056 0.0253 0.0253
Plasmodium vivax hypothetical protein 0.0056 0.0253 0.1099
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0056 0.0253 0.0212
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0689 0.7877 0.7877
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 0.0226 0.2303 0.2303
Trichomonas vaginalis fk506-binding protein, putative 0.0226 0.2303 0.227
Loa Loa (eye worm) hypothetical protein 0.0195 0.1928 0.1928
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0056 0.0253 0.0253
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0056 0.0253 0.1099
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0056 0.0253 0.0253
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0226 0.2303 0.2103
Trichomonas vaginalis PIKK family atypical protein kinase 0.029 0.3075 0.3046
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0056 0.0253 0.0212
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0866 1 1
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0866 1 1
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0866 1 1
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0164 0.1551 0.1332
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0305 0.0305
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0056 0.0253 0.0253
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0164 0.1551 0.1551
Loa Loa (eye worm) phosphatidylinositol 3 0.0056 0.0253 0.0253
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0226 0.2303 0.227
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.029 0.3075 0.3075
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative 0.0226 0.2303 0.2103
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0056 0.0253 0.0253
Schistosoma mansoni hypothetical protein 0.0056 0.0253 0.0253
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0056 0.0253 0.0345
Trichomonas vaginalis PIKK family atypical protein kinase 0.029 0.3075 0.3046
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0056 0.0253 0.0212
Trichomonas vaginalis PIKK family atypical protein kinase 0.0467 0.5207 0.5187
Plasmodium vivax hypothetical protein, conserved 0.0056 0.0253 0.1099
Trichomonas vaginalis PIKK family atypical protein kinase 0.0688 0.7868 0.7859
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.0226 0.2303 1
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0056 0.0253 0.1099
Onchocerca volvulus 0.0056 0.0253 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0866 1 1
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0056 0.0253 0.0253
Trichomonas vaginalis PIKK family atypical protein kinase 0.0467 0.5207 0.5187
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0056 0.0253 0.0345
Trichomonas vaginalis PIKK family atypical protein kinase 0.0164 0.1551 0.1516
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0056 0.0253 0.0253
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0195 0.1928 0.1928
Trichomonas vaginalis PIKK family atypical protein kinase 0.0164 0.1551 0.1516
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0056 0.0253 0.0212
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0056 0.0253 0.0212
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative 0.0226 0.2303 0.2103
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0108 0.0879 0.0642
Schistosoma mansoni hypothetical protein 0.0205 0.2044 0.2044
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0226 0.2303 0.2103
Trichomonas vaginalis PIKK family atypical protein kinase 0.0644 0.733 0.7319
Trypanosoma cruzi cytochrome P450, putative 0.0083 0.0579 0.0334
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0056 0.0253 0.1099
Mycobacterium tuberculosis Conserved hypothetical protein 0.0056 0.0253 0.5
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0127 0.1104 0.1104
Trichomonas vaginalis PIKK family atypical protein kinase 0.029 0.3075 0.3046
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0076 0.0076
Trichomonas vaginalis PIKK family atypical protein kinase 0.0866 1 1
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.0226 0.2303 0.2303
Loa Loa (eye worm) phosphatidylinositol 3 0.0056 0.0253 0.0253
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0056 0.0253 0.0212
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0056 0.0253 0.0345
Leishmania major phosphatidylinositol 3-kinase, putative 0.029 0.3075 0.2895
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0226 0.2303 0.227
Echinococcus multilocularis fk506 binding protein 0.0226 0.2303 0.2303
Loa Loa (eye worm) cytochrome P450 family protein 0.0083 0.0579 0.0579
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0164 0.1551 0.1332
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0056 0.0253 0.0253
Echinococcus multilocularis snurportin 1 0.0372 0.4055 0.4055
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0056 0.0253 0.0253
Loa Loa (eye worm) CYP4Cod1 0.0083 0.0579 0.0579
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0866 1 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0056 0.0253 0.0253
Toxoplasma gondii FATC domain-containing protein 0.0164 0.1551 0.2117
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0866 1 1
Schistosoma mansoni immunophilin 0.0226 0.2303 0.2303
Entamoeba histolytica hypothetical protein 0.0164 0.1551 0.1332
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.029 0.3075 0.3075
Loa Loa (eye worm) hypothetical protein 0.0127 0.1104 0.1104
Loa Loa (eye worm) phosphatidylinositol 3 0.0866 1 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0056 0.0253 0.0212
Trichomonas vaginalis PIKK family atypical protein kinase 0.0512 0.5745 0.5727
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0056 0.0253 0.0253
Trichomonas vaginalis PIKK family atypical protein kinase 0.029 0.3075 0.3046
Trypanosoma cruzi cytochrome P450, putative 0.0083 0.0579 0.0334
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0164 0.1551 0.1551
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0056 0.0253 0.0253
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.029 0.3075 0.2895
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 0.0226 0.2303 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0056 0.0253 0.0253
Schistosoma mansoni hypothetical protein 0.0041 0.0076 0.0076
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0305 0.0305
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0056 0.0253 0.0253
Trichomonas vaginalis PIKK family atypical protein kinase 0.0562 0.6345 0.6329
Echinococcus granulosus geminin 0.0205 0.2044 0.2044
Trichomonas vaginalis PIKK family atypical protein kinase 0.0232 0.2376 0.2344
Trichomonas vaginalis conserved hypothetical protein 0.0108 0.0879 0.0841
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0866 1 1
Loa Loa (eye worm) hypothetical protein 0.0164 0.1551 0.1551
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0056 0.0253 0.0253
Trichomonas vaginalis PIKK family atypical protein kinase 0.0467 0.5207 0.5187
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0226 0.2303 0.2103
Trichomonas vaginalis PIKK family atypical protein kinase 0.0644 0.733 0.7319
Echinococcus multilocularis 0.0056 0.0253 0.0253
Leishmania major peptidylprolyl isomerase-like protein 0.0226 0.2303 0.2103
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0226 0.2303 0.2303
Loa Loa (eye worm) hypothetical protein 0.0056 0.0253 0.0253
Brugia malayi Cytochrome P450 family protein 0.0083 0.0579 0.0579
Trichomonas vaginalis PIKK family atypical protein kinase 0.0688 0.7868 0.7859
Schistosoma mansoni immunophilin 0.0226 0.2303 0.2303
Echinococcus granulosus serine protein kinase ATM 0.0164 0.1551 0.1551
Trichomonas vaginalis PIKK family atypical protein kinase 0.0467 0.5198 0.5178
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0056 0.0253 0.0253
Trichomonas vaginalis immunophilin, putative 0.0226 0.2303 0.227
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0056 0.0253 0.0253
Trichomonas vaginalis PIKK family atypical protein kinase 0.029 0.3075 0.3046
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0056 0.0253 0.0253
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0056 0.0253 0.1099
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0305 0.0305
Leishmania major cytochrome p450-like protein 0.0083 0.0579 0.0334
Trichomonas vaginalis PIKK family atypical protein kinase 0.0739 0.8476 0.847
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.029 0.3075 0.3075
Schistosoma mansoni hypothetical protein 0.0127 0.1104 0.1104
Brugia malayi FAT domain containing protein 0.0127 0.1104 0.1104
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0866 1 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0056 0.0253 0.0253
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0164 0.1551 0.1551
Loa Loa (eye worm) hypothetical protein 0.0182 0.1777 0.1777
Trichomonas vaginalis PIKK family atypical protein kinase 0.0688 0.7868 0.7859
Loa Loa (eye worm) hypothetical protein 0.0059 0.0292 0.0292
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0409 0.4508 0.4508
Trichomonas vaginalis PIKK family atypical protein kinase 0.0108 0.0879 0.0841
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0164 0.1551 0.1551
Echinococcus multilocularis geminin 0.0205 0.2044 0.2044
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0056 0.0253 0.0253
Trichomonas vaginalis PIKK family atypical protein kinase 0.0467 0.5198 0.5178
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0056 0.0253 0.0253
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0056 0.0253 0.0212
Loa Loa (eye worm) hypothetical protein 0.0056 0.0253 0.0253
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0056 0.0253 0.0253
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0056 0.0253 0.1099
Trichomonas vaginalis PIKK family atypical protein kinase 0.0512 0.5745 0.5727
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0164 0.1551 0.1551
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0182 0.1777 0.2424
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0689 0.7877 0.7822
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0226 0.2303 0.2303
Loa Loa (eye worm) hypothetical protein 0.006 0.0305 0.0305
Loa Loa (eye worm) cytochrome P450 family protein 0.0083 0.0579 0.0579
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.0226 0.2303 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0517 0.5807 0.5789
Trichomonas vaginalis PIKK family atypical protein kinase 0.0688 0.7868 0.7859
Trypanosoma brucei phosphatidylinositol 3-kinase catalytic subunit, putative 0.0056 0.0253 0.0253
Schistosoma mansoni voltage-gated potassium channel 0.0045 0.012 0.012
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0056 0.0253 0.0253
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.0226 0.2303 0.2303
Entamoeba histolytica protein kinase rad3, putative 0.0164 0.1551 0.1332
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0195 0.1928 0.1928
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0056 0.0253 0.0253
Loa Loa (eye worm) FKBP5 protein 0.0226 0.2303 0.2303
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0056 0.0253 0.0212
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0041 0.0074 0.0074
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0056 0.0253 0.0253
Loa Loa (eye worm) hypothetical protein 0.0176 0.1704 0.1704
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0056 0.0253 0.0212
Trichomonas vaginalis PIKK family atypical protein kinase 0.0644 0.733 0.7319
Giardia lamblia GTOR 0.0866 1 1
Loa Loa (eye worm) hypothetical protein 0.0108 0.0879 0.0879
Trichomonas vaginalis PIKK family atypical protein kinase 0.0467 0.5198 0.5178
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0056 0.0253 0.0253
Schistosoma mansoni hypothetical protein 0.0205 0.2044 0.2044
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.0226 0.2303 0.2303
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.0226 0.2303 0.5
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0056 0.0253 0.0345
Loa Loa (eye worm) phosphatidylinositol 3 0.029 0.3075 0.3075
Schistosoma mansoni voltage-gated potassium channel 0.0045 0.012 0.012
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0056 0.0253 0.0253
Trichomonas vaginalis PIKK family atypical protein kinase 0.0688 0.7868 0.7859
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0226 0.2303 0.2103
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0866 1 1
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.029 0.3075 0.3075
Schistosoma mansoni hypothetical protein 0.0372 0.4055 0.4055
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0226 0.2303 0.2303
Brugia malayi Cytochrome P450 family protein 0.0083 0.0579 0.0579
Trichomonas vaginalis PIKK family atypical protein kinase 0.0056 0.0253 0.0212
Trichomonas vaginalis PIKK family atypical protein kinase 0.0164 0.1551 0.1516
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.036 0.3908 0.3908
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0041 0.0074 0.0074
Leishmania major phosphatidylinositol 3-related kinase, putative 0.029 0.3075 0.2895
Loa Loa (eye worm) hypothetical protein 0.0041 0.0076 0.0076
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0056 0.0253 0.0253
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0866 1 1
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0056 0.0253 0.0212
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0164 0.1551 0.1332
Onchocerca volvulus 0.0056 0.0253 0.5
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0041 0.0074 0.0074
Schistosoma mansoni fkbp-rapamycin associated protein 0.0164 0.1551 0.1551
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0866 1 1
Echinococcus multilocularis serine protein kinase ATM 0.0164 0.1551 0.1551
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0164 0.1551 0.1551
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0226 0.2303 0.2103
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.029 0.3075 0.2895
Trichomonas vaginalis PIKK family atypical protein kinase 0.0517 0.5807 0.5789
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.029 0.3075 0.3075
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0056 0.0253 0.0253
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0056 0.0253 0.0253
Echinococcus granulosus snurportin 1 0.0372 0.4055 0.4055

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.7943 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.0119 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) 10.3225 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

No literature references available for this target.

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