Detailed information for compound 712070

Basic information

Technical information
  • TDR Targets ID: 712070
  • Name: 2-ethyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]b utanamide
  • MW: 288.385 | Formula: C17H24N2O2
  • H donors: 1 H acceptors: 2 LogP: 2.8 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(C(=O)Nc1cccc(c1)C(=O)N1CCCC1)CC
  • InChi: 1S/C17H24N2O2/c1-3-13(4-2)16(20)18-15-9-7-8-14(12-15)17(21)19-10-5-6-11-19/h7-9,12-13H,3-6,10-11H2,1-2H3,(H,18,20)
  • InChiKey: VSNCJSQDCYMPMY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-ethyl-N-[3-(oxo-1-pyrrolidinylmethyl)phenyl]butanamide
  • 2-ethyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]butyramide
  • 2-ethyl-N-(3-pyrrolidin-1-ylcarbonylphenyl)butanamide
  • SMR000078462
  • ZINC00614938
  • 2-ethyl-N-[3-(1-pyrrolidinylcarbonyl)phenyl]butanamide
  • MLS000065068

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni inositol monophosphatase 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
Leishmania major 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
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma congolense 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
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative 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
Trypanosoma brucei gambiense 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
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 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
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Neospora caninum hypothetical protein 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
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, 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
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative 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
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi Inositol-1 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
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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
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 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
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 307 aa 22.5 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0102 0.0582 0.0507
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0197 0.1187 0.0992
Mycobacterium tuberculosis Conserved hypothetical protein 0.0102 0.0582 1
Entamoeba histolytica hypothetical protein 0.0102 0.0582 0.0373
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.1579 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0529 0.3309 0.316
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0102 0.0582 0.0581
Entamoeba histolytica phosphatidylinositol 3-kinase 3, putative 0.0102 0.0582 0.0373
Loa Loa (eye worm) phosphatidylinositol kinase 0.0102 0.0582 0.0581
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.1579 1 1
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0656 0.4114 0.3984
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0102 0.0582 0.0581
Trichomonas vaginalis PIKK family atypical protein kinase 0.0102 0.0582 0.0373
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0102 0.0582 0.0373
Trichomonas vaginalis conserved hypothetical protein 0.0231 0.1405 0.1214
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0529 0.3309 0.316
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0299 0.1837 0.1836
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0102 0.0582 0.0581
Trichomonas vaginalis PIKK family atypical protein kinase 0.0851 0.536 0.5257
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0102 0.0582 0.0581
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.1579 1 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0102 0.0582 0.0582
Trichomonas vaginalis PIKK family atypical protein kinase 0.0852 0.5369 0.5266
Trichomonas vaginalis PIKK family atypical protein kinase 0.1256 0.794 0.7894
Echinococcus granulosus cpg binding protein 0.0037 0.0166 0.0165
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0102 0.0582 0.0373
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0102 0.0582 0.0373
Loa Loa (eye worm) phosphatidylinositol 3 0.0529 0.3309 0.3308
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0102 0.0582 0.5
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0529 0.3309 0.3204
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0299 0.1837 0.1656
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0102 0.0582 0.0373
Loa Loa (eye worm) hypothetical protein 0.0299 0.1837 0.1836
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0102 0.0582 0.0507
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0299 0.1837 0.1837
Trichomonas vaginalis PIKK family atypical protein kinase 0.1174 0.742 0.7363
Schistosoma mansoni cpg binding protein 0.0037 0.0166 0.0013
Loa Loa (eye worm) phosphatidylinositol 3 0.0102 0.0582 0.0581
Leishmania major phosphatidylinositol kinase, putative 0.0102 0.0582 0.0373
Leishmania major phosphatidylinositol 3-kinase, putative 0.0102 0.0582 0.0373
Trichomonas vaginalis PIKK family atypical protein kinase 0.0299 0.1837 0.1656
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0102 0.0582 0.0582
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.0217 0.0216
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0102 0.0582 0.0373
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0102 0.0582 0.5
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0154 0.0153
Brugia malayi CXXC zinc finger family protein 0.0035 0.0154 0.0154
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0102 0.0582 0.0373
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0102 0.0582 0.0373
Loa Loa (eye worm) hypothetical protein 0.0231 0.1405 0.1404
Trypanosoma cruzi target of rapamycin kinase 3 0.1257 0.7948 0.7903
Echinococcus multilocularis cpg binding protein 0.0037 0.0166 0.0165
Toxoplasma gondii FATC domain-containing protein 0.0299 0.1837 0.2249
Trichomonas vaginalis PIKK family atypical protein kinase 0.1059 0.6686 0.6612
Plasmodium vivax hypothetical protein 0.0102 0.0582 0.5
Toxoplasma gondii target of rapamycin (TOR), putative 0.1174 0.742 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1174 0.742 0.7363
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0102 0.0582 0.0373
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0102 0.0582 0.0373
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0102 0.0582 0.0373
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0102 0.0582 0.0373
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0102 0.0582 0.0581
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0102 0.0582 0.0581
Trichomonas vaginalis PIKK family atypical protein kinase 0.1579 1 1
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.1579 1 1
Brugia malayi FAT domain containing protein 0.0231 0.1405 0.1405
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0102 0.0582 0.0582
Giardia lamblia GTOR 0.1579 1 1
Schistosoma mansoni cpg binding protein 0.0037 0.0166 0.0013
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0333 0.2054 0.255
Echinococcus granulosus serine protein kinase ATM 0.0299 0.1837 0.1836
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0102 0.0582 0.0507
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0102 0.0582 0.0581
Leishmania major hypothetical protein, conserved 0.0102 0.0582 0.0373
Trichomonas vaginalis conserved hypothetical protein 0.0333 0.2054 0.1878
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.1257 0.7948 0.7903
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.1579 1 1
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0102 0.0582 0.5
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0102 0.0582 0.0373
Echinococcus multilocularis serine protein kinase ATM 0.0299 0.1837 0.1836
Trichomonas vaginalis PIKK family atypical protein kinase 0.0197 0.1187 0.0992
Schistosoma mansoni hypothetical protein 0.0102 0.0582 0.0435
Schistosoma mansoni inositol monophosphatase 0.0045 0.0217 0.0064
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0102 0.0582 0.0373
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0102 0.0582 0.0373
Onchocerca volvulus 0.0102 0.0582 1
Trypanosoma brucei phosphatidylinositol 3-kinase catalytic subunit, putative 0.0102 0.0582 0.0373
Mycobacterium leprae conserved hypothetical protein 0.0102 0.0582 1
Leishmania major phosphatidylinositol 3-kinase, putative 0.0529 0.3309 0.316
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0102 0.0582 0.0373
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0299 0.1837 0.1656
Trichomonas vaginalis PIKK family atypical protein kinase 0.1174 0.742 0.7363
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0102 0.0582 0.0435
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.1579 1 1
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0102 0.0582 0.0581
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0102 0.0582 0.0507
Trichomonas vaginalis PIKK family atypical protein kinase 0.0851 0.536 0.5257
Trichomonas vaginalis PIKK family atypical protein kinase 0.0943 0.5948 0.5858
Trichomonas vaginalis PIKK family atypical protein kinase 0.1174 0.742 0.7363
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0102 0.0582 0.0373
Trichomonas vaginalis PIKK family atypical protein kinase 0.1174 0.742 0.7363
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0102 0.0582 0.5
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0102 0.0582 0.0435
Leishmania major hypothetical protein, unknown function 0.0102 0.0582 0.0373
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0529 0.3309 0.316
Loa Loa (eye worm) phosphatidylinositol 3 0.0102 0.0582 0.0581
Trichomonas vaginalis PIKK family atypical protein kinase 0.0529 0.3309 0.316
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0231 0.1405 0.1404
Trichomonas vaginalis PIKK family atypical protein kinase 0.1256 0.794 0.7894
Entamoeba histolytica protein kinase rad3, putative 0.0299 0.1837 0.1656
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0102 0.0582 0.0435
Trichomonas vaginalis PIKK family atypical protein kinase 0.0529 0.3309 0.316
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.1579 1 1
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0299 0.1837 0.1656
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0102 0.0582 0.0582
Trichomonas vaginalis PIKK family atypical protein kinase 0.0529 0.3309 0.316
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0529 0.3309 0.316
Trichomonas vaginalis PIKK family atypical protein kinase 0.0943 0.5948 0.5858
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0529 0.3309 0.316
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0529 0.3309 0.3309
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.0217 0.0216
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.1579 1 1
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0102 0.0582 0.5
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0299 0.1837 0.1836
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0102 0.0582 0.0581
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0102 0.0582 0.0373
Onchocerca volvulus 0.0102 0.0582 1
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0045 0.0217 0.5
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0102 0.0582 0.0373
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.0351 0.0187
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.1579 1 1
Loa Loa (eye worm) hypothetical protein 0.0333 0.2054 0.2053
Trichomonas vaginalis conserved hypothetical protein 0.0197 0.1187 0.0992
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0102 0.0582 0.0373
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0231 0.1405 0.1404
Trichomonas vaginalis PIKK family atypical protein kinase 0.0943 0.5948 0.5858
Loa Loa (eye worm) phosphatidylinositol 3 0.0102 0.0582 0.0581
Trypanosoma brucei target of rapamycin kinase 3, putative 0.1257 0.7948 0.7903
Leishmania major phosphatidylinositol kinase related protein, putative 0.0102 0.0582 0.0373
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0102 0.0582 0.0582
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0102 0.0582 0.0435
Trichomonas vaginalis PIKK family atypical protein kinase 0.0934 0.5888 0.5797
Brugia malayi Inositol-1 0.0045 0.0217 0.0217
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0102 0.0582 0.0581
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0102 0.0582 0.0373
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.0102 0.0582 0.0373
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.0217 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0851 0.536 0.5257
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0102 0.0582 0.0373
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0102 0.0582 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0852 0.5369 0.5266
Schistosoma mansoni fkbp-rapamycin associated protein 0.0299 0.1837 0.1709
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.1579 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1174 0.742 0.7363
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0102 0.0582 0.0373
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0402 0.0252
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0102 0.0582 0.0581
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0102 0.0582 0.0581
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0102 0.0582 0.0435
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0299 0.1837 0.1837
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0102 0.0582 0.0507
Entamoeba histolytica hypothetical protein 0.0102 0.0582 0.0373
Trichomonas vaginalis PIKK family atypical protein kinase 0.1256 0.794 0.7894
Trichomonas vaginalis PIKK family atypical protein kinase 0.0102 0.0582 0.0373
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0102 0.0582 0.0373
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0299 0.1837 0.1656
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0102 0.0582 0.0582
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0299 0.1837 0.1709
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0529 0.3309 0.316
Plasmodium vivax hypothetical protein, conserved 0.0102 0.0582 0.5
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0102 0.0582 0.0373
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0102 0.0582 0.0581
Schistosoma mansoni hypothetical protein 0.0231 0.1405 0.127
Trichomonas vaginalis PIKK family atypical protein kinase 0.1256 0.794 0.7894
Trichomonas vaginalis PIKK family atypical protein kinase 0.0852 0.5369 0.5266
Entamoeba histolytica hypothetical protein 0.0299 0.1837 0.1656
Trichomonas vaginalis PIKK family atypical protein kinase 0.0299 0.1837 0.1656
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0102 0.0582 0.0373
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0102 0.0582 0.0581
Entamoeba histolytica hypothetical protein 0.0102 0.0582 0.0373
Trichomonas vaginalis PIKK family atypical protein kinase 0.1579 1 1
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0102 0.0582 0.5
Leishmania major phosphatidylinositol 4-kinase, putative 0.0102 0.0582 0.0373
Trichomonas vaginalis PIKK family atypical protein kinase 0.0852 0.5369 0.5266
Trichomonas vaginalis PIKK family atypical protein kinase 0.1174 0.742 0.7363
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0102 0.0582 0.0373
Entamoeba histolytica hypothetical protein 0.0102 0.0582 0.0373
Trichomonas vaginalis PIKK family atypical protein kinase 0.1256 0.794 0.7894
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0747 0.4694 0.4576
Loa Loa (eye worm) hypothetical protein 0.0102 0.0582 0.0581
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0102 0.0582 0.0373
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0102 0.0582 0.0435
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0102 0.0582 0.0373
Loa Loa (eye worm) hypothetical protein 0.0102 0.0582 0.0581
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0529 0.3309 0.3308
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0102 0.0582 0.0373
Trichomonas vaginalis PIKK family atypical protein kinase 0.1579 1 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0102 0.0582 0.0373
Loa Loa (eye worm) phosphatidylinositol 3 0.0102 0.0582 0.0581
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0102 0.0582 0.0582
Trichomonas vaginalis PIKK family atypical protein kinase 0.1348 0.8528 0.8495
Echinococcus multilocularis 0.0102 0.0582 0.0581
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.1579 1 1
Echinococcus multilocularis Zinc finger, PHD finger 0.0102 0.0582 0.0581
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0529 0.3309 0.3308
Trichomonas vaginalis PIKK family atypical protein kinase 0.0299 0.1837 0.1656
Loa Loa (eye worm) phosphatidylinositol 3 0.1579 1 1
Loa Loa (eye worm) hypothetical protein 0.0197 0.1187 0.1186
Loa Loa (eye worm) hypothetical protein 0.0322 0.1984 0.1983
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0102 0.0582 0.0373
Trichomonas vaginalis PIKK family atypical protein kinase 0.1025 0.6468 0.639
Loa Loa (eye worm) inositol-1 0.0045 0.0217 0.0216
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0102 0.0582 0.0435
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0102 0.0582 0.0581
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0102 0.0582 0.0373
Trichomonas vaginalis PIKK family atypical protein kinase 0.0529 0.3309 0.316
Schistosoma mansoni inositol monophosphatase 0.0045 0.0217 0.0064
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0102 0.0582 0.0373
Trichomonas vaginalis PIKK family atypical protein kinase 0.0934 0.5888 0.5797
Loa Loa (eye worm) phosphatidylinositol 3 0.0102 0.0582 0.0581
Trichomonas vaginalis PIKK family atypical protein kinase 0.0424 0.2634 0.247

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 8.2753 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, 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) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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

No literature references available for this target.

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