Detailed information for compound 312028

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 689.624 | Formula: C31H36F5N3O9
  • H donors: 5 H acceptors: 7 LogP: 5.26 Rotable bonds: 21
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCCCCNC(=O)[C@H](Cc1ccc(cc1)OC(C(=O)O)C(=O)O)NC(=O)[C@H](Cc1c(F)c(F)c(c(c1F)F)F)NC(=O)OC(C)(C)C
  • InChi: 1S/C31H36F5N3O9/c1-5-6-7-12-37-26(40)18(13-15-8-10-16(11-9-15)47-25(28(42)43)29(44)45)38-27(41)19(39-30(46)48-31(2,3)4)14-17-20(32)22(34)24(36)23(35)21(17)33/h8-11,18-19,25H,5-7,12-14H2,1-4H3,(H,37,40)(H,38,41)(H,39,46)(H,42,43)(H,44,45)/t18-,19-/m0/s1
  • InChiKey: VBBUBJVPGNFYPL-OALUTQOASA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Entamoeba histolytica hypothetical protein 0.0011 0.0361 0.4601
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0665 1
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0011 0.0361 0.4601
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0004 0.0101 0.0101
Loa Loa (eye worm) hypothetical protein 0.0019 0.0665 0.1247
Brugia malayi hypothetical protein 0.0009 0.0289 0.054
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0019 0.0665 0.1248
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0004 0.0101 0.019
Schistosoma mansoni neurotransmitter gated ion channel 0.0009 0.0289 0.0543
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0019 0.0665 0.1247
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0004 0.0101 0.0286
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0174 0.26
Schistosoma mansoni hypothetical protein 0.0006 0.0174 0.0328
Trypanosoma cruzi hypothetical protein, conserved 0.0097 0.3476 1
Trichomonas vaginalis ankyrin repeat-containing protein, putative 0.0001 0.0002 0.00000033869
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0019 0.0665 0.184
Entamoeba histolytica hypothetical protein 0.0009 0.0302 0.3558
Loa Loa (eye worm) hypothetical protein 0.001 0.0343 0.0641
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0004 0.0101 0.0101
Trichomonas vaginalis ankyrin repeat-containing protein, putative 0.0001 0.0002 0.00000033869
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0665 1
Trichomonas vaginalis c2h2 zinc finger protein, putative 0.0006 0.0174 0.26
Echinococcus granulosus serine protein kinase ATM 0.0011 0.0361 0.0361
Schistosoma mansoni fkbp-rapamycin associated protein 0.0011 0.0361 0.0678
Leishmania major phosphatidylinositol kinase, putative 0.0004 0.0101 0.0275
Entamoeba histolytica hypothetical protein 0.0009 0.0302 0.3558
Leishmania major phosphatidylinositol kinase related protein, putative 0.0004 0.0101 0.0275
Echinococcus granulosus SAM domain containing protein 0.0006 0.0174 0.0174
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0004 0.0101 0.1496
Plasmodium falciparum protein kinase, putative 0.0007 0.0204 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0343 0.0641
Brugia malayi WGR domain containing protein 0.0009 0.0302 0.0565
Onchocerca volvulus 0.0019 0.0665 0.2858
Trichomonas vaginalis ankyrin repeat domain protein, putative 0.0001 0.0002 0.00000033869
Echinococcus multilocularis epidermal growth factor receptor 0.0079 0.2841 0.2841
Trichomonas vaginalis conserved hypothetical protein 0.0009 0.0302 0.4522
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0019 0.0665 0.125
Entamoeba histolytica hypothetical protein 0.0009 0.0302 0.3558
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0019 0.0665 0.1248
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0019 0.0665 0.0665
Echinococcus granulosus liprin beta 1 0.0006 0.0174 0.0174
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0004 0.0101 0.019
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.001 0.0343 0.0642
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0004 0.0101 0.1516
Loa Loa (eye worm) phosphatidylinositol 3 0.0004 0.0101 0.0186
Loa Loa (eye worm) hypothetical protein 0.0006 0.0174 0.0324
Loa Loa (eye worm) hypothetical protein 0.0019 0.0665 0.1247
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0004 0.0101 0.1496
Onchocerca volvulus 0.0006 0.0174 0.0371
Trypanosoma cruzi poly(ADP-ribose) polymerase, putative 0.0009 0.0302 0.0864
Trichomonas vaginalis ankyrin, putative 0.0001 0.0002 0.00000033869
Brugia malayi WGR domain containing protein 0.0009 0.0302 0.0565
Onchocerca volvulus 0.0019 0.0665 0.2858
Schistosoma mansoni nAChR subunit 0.0019 0.0665 0.125
Loa Loa (eye worm) hypothetical protein 0.0009 0.0289 0.0539
Loa Loa (eye worm) hypothetical protein 0.0019 0.0665 0.1247
Schistosoma mansoni nAChR subunit 0.0019 0.0665 0.125
Brugia malayi hypothetical protein 0.0009 0.0289 0.054
Loa Loa (eye worm) TK/EGFR protein kinase 0.0148 0.5317 1
Trichomonas vaginalis unc-44 ankyrins, putative 0.0001 0.0002 0.00000033869
Loa Loa (eye worm) neuronal acetylcholine receptor protein 0.0009 0.0289 0.0539
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0019 0.0665 1
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0019 0.0665 0.0665
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0004 0.0101 0.1496
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0004 0.0101 0.1496
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0004 0.0101 0.0101
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0665 1
Schistosoma mansoni lar interacting protein (lip)-related protein 0.0006 0.0174 0.0328
Echinococcus granulosus glycine receptor subunit alpha 1 0.0019 0.0665 0.0665
Schistosoma mansoni ankyrin 23/unc44 0.0001 0.0002 0.0003
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0019 0.0665 0.1248
Giardia lamblia Kinase, NEK 0.0001 0.0002 0.0024
Brugia malayi Liprin-alpha 2 0.0006 0.0174 0.0325
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0004 0.0101 0.0286
Schistosoma mansoni tankyrase 0.0065 0.2318 0.4359
Loa Loa (eye worm) hypothetical protein 0.0009 0.0289 0.0539
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.001 0.0343 0.0642
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0226 0.3383
Echinococcus multilocularis liprin alpha 2 0.0006 0.0174 0.0174
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0019 0.0665 0.1911
Loa Loa (eye worm) hypothetical protein 0.0019 0.0665 0.1247
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0665 1
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0004 0.0101 0.0101
Trichomonas vaginalis ankyrin repeat-containing protein, putative 0.0001 0.0002 0.00000033869
Loa Loa (eye worm) hypothetical protein 0.0008 0.0271 0.0507
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0019 0.0665 0.1248
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0019 0.0665 0.0665
Schistosoma mansoni tyrosine kinase 0.0079 0.2841 0.5344
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0019 0.0665 0.125
Brugia malayi Cation transporter family protein 0.0019 0.0665 0.1248
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0665 1
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0008 0.0271 0.0271
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0174 0.26
Toxoplasma gondii FATC domain-containing protein 0.0011 0.0361 0.4601
Mycobacterium tuberculosis Conserved hypothetical protein 0.0004 0.0101 0.5
Loa Loa (eye worm) TK/INSR protein kinase 0.0047 0.1676 0.315
Schistosoma mansoni hypothetical protein 0.0004 0.0101 0.019
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0665 1
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0004 0.0101 0.0101
Loa Loa (eye worm) phosphatidylinositol 3 0.0004 0.0101 0.0186
Echinococcus multilocularis SAM domain containing protein 0.0006 0.0174 0.0174
Trichomonas vaginalis conserved hypothetical protein 0.0009 0.0302 0.4522
Trichomonas vaginalis conserved hypothetical protein 0.0009 0.0302 0.4522
Echinococcus granulosus tankyrase 0.0065 0.2314 0.2314
Loa Loa (eye worm) hypothetical protein 0.001 0.0343 0.0641
Trichomonas vaginalis PIKK family atypical protein kinase 0.0012 0.0406 0.6087
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0271 0.4061
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0004 0.0101 0.1496
Echinococcus multilocularis Ankyrin 0.0001 0.0002 0.0002
Schistosoma mansoni tyrosine kinase 0.0079 0.2811 0.5287
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0004 0.0101 0.0187
Loa Loa (eye worm) hypothetical protein 0.001 0.0343 0.0641
Schistosoma mansoni sarm1 0.0006 0.0174 0.0328
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0007 0.0226 0.0646
Trichomonas vaginalis ankyrin repeat-containing protein, putative 0.0001 0.0002 0.00000033869
Schistosoma mansoni nAChR subunit 0.0009 0.0289 0.0543
Schistosoma mansoni tyrosine kinase 0.0079 0.2811 0.5287
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0019 0.0665 0.1248
Loa Loa (eye worm) hypothetical protein 0.0009 0.0289 0.0539
Trichomonas vaginalis unc-44 ankyrins, putative 0.0001 0.0002 0.00000033869
Brugia malayi Cation transporter family protein 0.0019 0.0665 0.1248
Schistosoma mansoni lip-related protein (liprin) alpha 0.0006 0.0174 0.0328
Leishmania major phosphatidylinositol 3-kinase, putative 0.0019 0.0665 0.184
Trichomonas vaginalis ankyrin repeat domain protein, putative 0.0001 0.0002 0.00000033869
Brugia malayi Cation transporter family protein 0.0019 0.0665 0.1248
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0011 0.0361 0.5409
Schistosoma mansoni nAChR subunit 0.0019 0.0665 0.125
Loa Loa (eye worm) GABA receptor subunit 0.001 0.0343 0.0641
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0019 0.0665 0.1247
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0019 0.0665 1
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0019 0.0665 0.1248
Loa Loa (eye worm) hypothetical protein 0.001 0.0343 0.0641
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0019 0.0665 0.1248
Loa Loa (eye worm) hypothetical protein 0.0019 0.0665 0.1247
Entamoeba histolytica poly(ADP-ribose) polymerase, putative 0.0009 0.0302 0.3558
Brugia malayi Neurabin protein 1 0.0006 0.0174 0.0325
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0019 0.0665 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0004 0.0101 0.1496
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0019 0.0665 0.0665
Giardia lamblia GTOR 0.0019 0.0665 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0004 0.0101 0.1496
Leishmania major hypothetical protein, unknown function 0.0004 0.0101 0.0275
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0019 0.0665 0.184
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0019 0.0665 0.0665
Loa Loa (eye worm) hypothetical protein 0.0009 0.0289 0.0539
Loa Loa (eye worm) hypothetical protein 0.0019 0.0665 0.1247
Loa Loa (eye worm) phosphatidylinositol 3 0.0004 0.0101 0.0186
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0019 0.0665 0.1248
Echinococcus granulosus nAChR subunit 0.001 0.0343 0.0343
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0011 0.0361 0.0675
Trichomonas vaginalis conserved hypothetical protein 0.0009 0.0302 0.4522
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0004 0.0101 0.0186
Loa Loa (eye worm) hypothetical protein 0.0019 0.0665 0.1247
Trichomonas vaginalis ankyrin repeat and FYVE domain containing protein, putative 0.0001 0.0002 0.00000033869
Echinococcus multilocularis stromal interaction molecule 1 0.0006 0.0174 0.0174
Schistosoma mansoni tyrosine kinase 0.0079 0.2811 0.5287
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0047 0.1676 0.1676
Trichomonas vaginalis conserved hypothetical protein 0.0009 0.0302 0.4522
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0011 0.0361 0.0361
Brugia malayi Acetylcholine receptor protein, alpha-like chain 1 precursor 0.0009 0.0289 0.054
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0665 1
Echinococcus granulosus glycine receptor subunit beta 0.0019 0.0665 0.0665
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0019 0.0665 0.0665
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0019 0.0665 0.125
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0019 0.0665 0.1248
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0665 1
Plasmodium vivax tyrosine kinase-like protein, putative 0.0007 0.0204 1
Brugia malayi Furin-like cysteine rich region family protein 0.0148 0.5317 1
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0004 0.0101 0.1496
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0665 1
Echinococcus multilocularis nAChR subunit 0.001 0.0343 0.0343
Loa Loa (eye worm) hypothetical protein 0.0019 0.0665 0.1247
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0004 0.0101 0.0101
Leishmania major phosphatidylinositol 4-kinase, putative 0.0004 0.0101 0.0275
Schistosoma mansoni nAChR subunit 0.0009 0.0289 0.0543
Loa Loa (eye worm) ACC-1 protein 0.0019 0.0665 0.1247
Entamoeba histolytica hypothetical protein 0.0009 0.0302 0.3558
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0004 0.0101 0.1496
Trichomonas vaginalis PIKK family atypical protein kinase 0.0007 0.0226 0.3383
Echinococcus granulosus liprin alpha 2 0.0006 0.0174 0.0174
Echinococcus multilocularis poly (ADP ribose) polymerase 0.0009 0.0302 0.0302
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0665 1
Echinococcus multilocularis poly (ADP ribose) polymerase 1 0.0009 0.0302 0.0302
Echinococcus multilocularis gamma aminobutyric acid receptor subunit 0.0009 0.0289 0.0289
Loa Loa (eye worm) poly(ADP-ribose) polymerase 0.0009 0.0302 0.0564
Onchocerca volvulus 0.0019 0.0665 0.2858
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0019 0.0665 0.1248
Trichomonas vaginalis PIKK family atypical protein kinase 0.0011 0.0361 0.5409
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0665 1
Loa Loa (eye worm) acetylcholine receptor protein 0.0009 0.0289 0.0539
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0019 0.0665 0.1252
Entamoeba histolytica hypothetical protein 0.001 0.0343 0.4283
Echinococcus multilocularis 0.0004 0.0101 0.0101
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0019 0.0665 0.1252
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0665 1
Trichomonas vaginalis ankyrin repeat-containing protein, putative 0.0001 0.0002 0.00000033869
Brugia malayi hypothetical protein 0.0009 0.0289 0.054
Echinococcus granulosus poly ADP ribose polymerase 1 0.0009 0.0302 0.0302
Echinococcus granulosus sterile alpha and tir motif containing protein 0.0006 0.0174 0.0174
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0004 0.0101 0.019
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0004 0.0101 0.1496
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0004 0.0101 0.1496
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0004 0.0101 0.1496
Echinococcus granulosus Sterile alpha motif SAM 0.0006 0.0174 0.0174
Entamoeba histolytica zinc finger protein, putative 0.0009 0.0302 0.3558
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0019 0.0665 0.1248
Loa Loa (eye worm) phosphatidylinositol 3 0.0004 0.0101 0.0186
Onchocerca volvulus 0.0006 0.0174 0.0371
Trichomonas vaginalis conserved hypothetical protein 0.0009 0.0302 0.4522
Echinococcus multilocularis E3 ubiquitin protein ligase mib1 0.0001 0.0002 0.0002
Onchocerca volvulus 0.001 0.0343 0.1225
Schistosoma mansoni nAChR subunit 0.0019 0.0665 0.125
Schistosoma mansoni neurotransmitter gated ion channel 0.0009 0.0289 0.0543
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0004 0.0101 0.0187
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0004 0.0101 0.1516
Echinococcus granulosus glycine receptor subunit alpha 1 0.0019 0.0665 0.0665
Echinococcus granulosus poly adp ribose polymerase 2 0.0009 0.0302 0.0302
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0011 0.0361 0.0361
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0019 0.0665 0.0665
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0019 0.0665 0.0665
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0665 1
Loa Loa (eye worm) hypothetical protein 0.0009 0.0289 0.0539
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0019 0.0665 0.0665
Echinococcus granulosus nAChR subunit 0.0019 0.0665 0.0665
Echinococcus granulosus glycine receptor subunit beta 0.0019 0.0665 0.0665
Echinococcus multilocularis insulin receptor 0.0047 0.1676 0.1676
Loa Loa (eye worm) hypothetical protein 0.0004 0.0101 0.0186
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0004 0.0101 0.0286
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0009 0.0289 0.054
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0665 1
Brugia malayi hypothetical protein 0.0006 0.0174 0.0325
Loa Loa (eye worm) hypothetical protein 0.0011 0.0361 0.0675
Loa Loa (eye worm) tnks protein 0.0059 0.211 0.3966
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0665 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0004 0.0101 0.0187
Onchocerca volvulus 0.0019 0.0665 0.2858
Schistosoma mansoni hypothetical protein 0.0006 0.0174 0.0328
Brugia malayi Tnks protein 0.0065 0.2304 0.4333
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0004 0.0101 0.0286
Onchocerca volvulus 0.0019 0.0665 0.2858
Onchocerca volvulus 0.0019 0.0665 0.2858
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0012 0.0406 0.5399
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.001 0.0343 0.0644
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0174 0.26
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0019 0.0665 0.0665
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0004 0.0101 0.0286
Schistosoma mansoni tyrosine kinase 0.0148 0.5317 1
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0019 0.0665 0.0665
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0665 1
Loa Loa (eye worm) ACC-1 protein 0.0019 0.0665 0.1247
Plasmodium falciparum tyrosine kinase-like protein 0.0007 0.0204 1
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0019 0.0665 0.1248
Giardia lamblia Hypothetical protein 0.0004 0.0101 0.1516
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0019 0.0665 0.1911
Loa Loa (eye worm) hypothetical protein 0.0019 0.0665 0.1247
Brugia malayi FAT domain containing protein 0.0008 0.0271 0.0507
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0665 1
Loa Loa (eye worm) hypothetical protein 0.0007 0.0226 0.0422
Loa Loa (eye worm) hypothetical protein 0.0012 0.0406 0.076
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0019 0.0665 0.0665
Echinococcus granulosus insulin receptor 0.0047 0.1676 0.1676
Trichomonas vaginalis conserved hypothetical protein 0.0009 0.0302 0.4522
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0012 0.0406 0.6087
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.001 0.0343 0.0642
Loa Loa (eye worm) hypothetical protein 0.0019 0.0665 0.1247
Giardia lamblia Phosphatidylinositol 4-kinase 0.0004 0.0101 0.1516
Toxoplasma gondii target of rapamycin (TOR), putative 0.0019 0.0665 1
Brugia malayi hypothetical protein 0.0009 0.0289 0.054
Loa Loa (eye worm) hypothetical protein 0.001 0.0343 0.0641
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0019 0.0665 0.0665
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0009 0.0289 0.0539
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0004 0.0101 0.0101
Trichomonas vaginalis ankyrin 2,3/unc44, putative 0.0002 0.0021 0.029
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0019 0.0665 0.1248
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0004 0.0101 0.0101
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0665 1
Brugia malayi coiled-coil like protein 1 0.0006 0.0174 0.0325
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0019 0.0665 0.0665
Loa Loa (eye worm) hypothetical protein 0.0006 0.0174 0.0324
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0019 0.0665 0.0665
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0665 1
Schistosoma mansoni tyrosine kinase 0.0047 0.1676 0.3152
Echinococcus multilocularis nicotinic acetylcholine receptor subunit type 0.0009 0.0289 0.0289
Onchocerca volvulus Putative nachr subunit 0.0019 0.0665 0.2858
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0004 0.0101 0.1496
Toxoplasma gondii Tyrosine kinase-like (TKL) protein 0.0006 0.0174 0.1299
Echinococcus granulosus Ankyrin 0.0001 0.0002 0.0002
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.0009 0.0302 0.3558
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.001 0.0343 0.0642
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0009 0.0289 0.0289
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0004 0.0101 0.1496
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0665 1
Echinococcus multilocularis Zinc finger, PHD finger 0.0004 0.0101 0.0101
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0665 1
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0004 0.0101 0.0286
Loa Loa (eye worm) hypothetical protein 0.0006 0.0174 0.0324
Loa Loa (eye worm) hypothetical protein 0.001 0.0343 0.0641
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0004 0.0101 0.0286
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0004 0.0101 0.0275
Loa Loa (eye worm) phosphatidylinositol 3 0.0019 0.0665 0.1248
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0004 0.0101 0.1496
Loa Loa (eye worm) hypothetical protein 0.0009 0.0289 0.0539
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0019 0.0665 0.0665
Trypanosoma brucei poly(adp-ribose) polymerase 0.0009 0.0302 0.4522
Loa Loa (eye worm) hypothetical protein 0.0019 0.0665 0.1247
Loa Loa (eye worm) hypothetical protein 0.0009 0.0289 0.0539
Echinococcus multilocularis serine protein kinase ATM 0.0011 0.0361 0.0361
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0019 0.0665 0.0665
Loa Loa (eye worm) hypothetical protein 0.0009 0.0289 0.0539
Trichomonas vaginalis PIKK family atypical protein kinase 0.0011 0.0361 0.5409
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0008 0.0271 0.0271
Loa Loa (eye worm) hypothetical protein 0.0009 0.0302 0.0564
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0004 0.0101 0.1496
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0004 0.0101 0.0286
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0079 0.2841 0.2841
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0019 0.0665 0.1247
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0004 0.0101 0.1496
Loa Loa (eye worm) hypothetical protein 0.001 0.0343 0.0641
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0004 0.0101 0.1496
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0019 0.0665 0.0665
Schistosoma mansoni tyrosine kinase 0.0047 0.1676 0.3152
Echinococcus multilocularis 0.0046 0.1622 0.1622
Trichomonas vaginalis PIKK family atypical protein kinase 0.0011 0.0361 0.5409
Trichomonas vaginalis conserved hypothetical protein 0.0009 0.0302 0.4522
Trichomonas vaginalis ankyrin 2,3/unc44, putative 0.0001 0.0002 0.00000033869
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0047 0.1676 0.1676
Trypanosoma cruzi target of rapamycin kinase 3 0.0019 0.0665 0.1911
Giardia lamblia Kinase, NEK 0.0001 0.0002 0.0024
Trichomonas vaginalis conserved hypothetical protein 0.0012 0.0406 0.6087
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0009 0.0302 0.0568
Brugia malayi sterile alpha and TIR motif containing protein 1 isoform a 0.0006 0.0174 0.0325
Echinococcus multilocularis nAChR subunit 0.0019 0.0665 0.0665
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0019 0.0665 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0004 0.0101 0.0187
Trichomonas vaginalis 2-5A-dependent ribonuclease, putative 0.0001 0.0002 0.00000033869
Trichomonas vaginalis PIKK family atypical protein kinase 0.0011 0.0361 0.5409
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0004 0.0101 0.0101
Loa Loa (eye worm) phosphatidylinositol kinase 0.0004 0.0101 0.0186
Loa Loa (eye worm) hypothetical protein 0.0019 0.0665 0.1247
Loa Loa (eye worm) hypothetical protein 0.0019 0.0665 0.1247
Trichomonas vaginalis PIKK family atypical protein kinase 0.0011 0.0361 0.5409
Loa Loa (eye worm) hypothetical protein 0.0006 0.0174 0.0324
Loa Loa (eye worm) hypothetical protein 0.001 0.0343 0.0641
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0665 1
Leishmania major phosphatidylinositol 3-kinase, putative 0.0004 0.0101 0.0275
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0019 0.0665 0.0665
Loa Loa (eye worm) LGC-31 protein 0.0019 0.0665 0.1247
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0019 0.0665 0.1249
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0665 1
Schistosoma mansoni hypothetical protein 0.0008 0.0271 0.051
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0019 0.0665 0.125
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0009 0.0289 0.054
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0665 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0011 0.0361 0.5409
Trichomonas vaginalis ankyrin, putative 0.0001 0.0002 0.0005
Schistosoma mansoni tyrosine kinase 0.0079 0.2841 0.5344
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0004 0.0101 0.0187
Trichomonas vaginalis ankyrin repeat-containing protein, putative 0.0001 0.0018 0.0241
Schistosoma mansoni hypothetical protein 0.0006 0.0174 0.0328
Loa Loa (eye worm) hypothetical protein 0.0006 0.0174 0.0324
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.001 0.0343 0.0644
Loa Loa (eye worm) phosphatidylinositol 3 0.0004 0.0101 0.0186
Trypanosoma cruzi poly(ADP-ribose) polymerase, putative 0.0009 0.0302 0.0864
Schistosoma mansoni acetylcholine receptor-related 0.0009 0.0289 0.0543
Trichomonas vaginalis PIKK family atypical protein kinase 0.0011 0.0361 0.5409
Schistosoma mansoni neurotransmitter gated ion channel 0.001 0.0343 0.0644
Echinococcus granulosus stromal interaction molecule 1 0.0006 0.0174 0.0174
Echinococcus multilocularis tankyrase 0.0065 0.2314 0.2314
Schistosoma mansoni hypothetical protein 0.0006 0.0174 0.0328
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0019 0.0665 0.184
Loa Loa (eye worm) hypothetical protein 0.0009 0.0289 0.0539
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0665 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0019 0.0665 0.1248
Onchocerca volvulus Tankyrase homolog 0.0058 0.2074 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0665 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0665 0.1247
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0019 0.0665 0.1248
Onchocerca volvulus 0.001 0.0343 0.1225
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0019 0.0665 0.1247
Trichomonas vaginalis conserved hypothetical protein 0.0009 0.0302 0.4522
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0011 0.0361 0.1033
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0019 0.0665 0.125
Brugia malayi Protein kinase domain containing protein 0.0047 0.1676 0.315
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0019 0.0665 0.1911
Mycobacterium leprae conserved hypothetical protein 0.0004 0.0101 0.5
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0019 0.0665 0.1247
Schistosoma mansoni acetylcholine receptor subunit beta 0.0009 0.0289 0.0543
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0665 1
Schistosoma mansoni nAChR subunit 0.0019 0.0665 0.125
Onchocerca volvulus 0.0009 0.0289 0.0951
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0019 0.0665 0.0665
Loa Loa (eye worm) hypothetical protein 0.0009 0.0289 0.0539
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0004 0.0101 0.019
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0004 0.0101 0.019
Echinococcus multilocularis poly (adp ribose) polymerase 2 0.0009 0.0302 0.0302
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0277 1 1
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0011 0.0361 0.1033
Brugia malayi hypothetical protein 0.0009 0.0289 0.054
Loa Loa (eye worm) hypothetical protein 0.0009 0.0289 0.0539
Loa Loa (eye worm) hypothetical protein 0.0019 0.0665 0.1247
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0004 0.0101 0.0187
Brugia malayi Neuronal acetylcholine receptor protein, alpha-2 chain precursor 0.0009 0.0289 0.054
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0019 0.0665 0.0665
Echinococcus granulosus epidermal growth factor receptor 0.0079 0.2841 0.2841
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0019 0.0665 0.1249
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0174 0.26
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0004 0.0101 0.0101
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0004 0.0101 0.0286
Trichomonas vaginalis multiple ankyrin repeats single kh domain protein, putative 0.0001 0.0002 0.00000033869
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0011 0.0361 0.0678
Echinococcus multilocularis sterile alpha and tir motif containing protein 0.0006 0.0174 0.0174
Loa Loa (eye worm) phosphatidylinositol 3 0.0019 0.0665 0.1248
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0019 0.0665 0.125
Loa Loa (eye worm) hypothetical protein 0.0009 0.0289 0.0539
Leishmania major hypothetical protein, conserved 0.0101 0.361 1
Trichomonas vaginalis ankyrin repeat-containing protein, putative 0.0001 0.0002 0.0005
Echinococcus multilocularis glycine receptor subunit beta 0.0019 0.0665 0.0665
Loa Loa (eye worm) hypothetical protein 0.0019 0.0665 0.1247
Trichomonas vaginalis PIKK family atypical protein kinase 0.0004 0.0101 0.1496
Onchocerca volvulus 0.0009 0.0289 0.0951
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0004 0.0101 0.0101
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0004 0.0101 0.1496
Brugia malayi hypothetical protein 0.0006 0.0174 0.0325
Echinococcus multilocularis epidermal growth factor receptor 0.0148 0.5317 0.5317
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.0004 0.0101 0.0286
Loa Loa (eye worm) hypothetical protein 0.0009 0.0289 0.0539
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0004 0.0101 0.019
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0019 0.0665 1
Trypanosoma brucei phosphatidylinositol 3-kinase catalytic subunit, putative 0.0004 0.0101 0.1496
Trichomonas vaginalis ankyrin repeat-containing protein, putative 0.0001 0.0002 0.00000033869
Trichomonas vaginalis PIKK family atypical protein kinase 0.0011 0.0361 0.5409
Loa Loa (eye worm) hypothetical protein 0.0019 0.0665 0.1247
Echinococcus granulosus gamma aminobutyric acid receptor subunit 0.0009 0.0289 0.0289
Echinococcus multilocularis liprin beta 1 0.0006 0.0174 0.0174
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0009 0.0289 0.054
Echinococcus granulosus glycine receptor subunit alpha 1 0.0019 0.0665 0.0665
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0011 0.0361 0.0675
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0019 0.0665 1
Onchocerca volvulus 0.0009 0.0289 0.0951
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0019 0.0665 1
Trichomonas vaginalis ankyrin repeat domain protein, putative 0.0001 0.0017 0.0236
Loa Loa (eye worm) toll and interleukin 1 receptor domain-containing protein isoform f 0.0006 0.0174 0.0324
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0004 0.0101 0.019
Brugia malayi excitatory GABA receptor EXP-1A 0.0019 0.0665 0.1248
Echinococcus granulosus epidermal growth factor receptor 0.0148 0.5317 0.5317
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0019 0.0665 0.184
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0019 0.0665 0.0665
Loa Loa (eye worm) hypothetical protein 0.0019 0.0665 0.1247
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0665 1
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0019 0.0665 0.1911
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0019 0.0665 0.1248
Loa Loa (eye worm) hypothetical protein 0.0019 0.0665 0.1247
Schistosoma mansoni nAChR subunit 0.0019 0.0665 0.125
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0009 0.0289 0.0289
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0009 0.0289 0.054
Entamoeba histolytica protein kinase rad3, putative 0.0011 0.0361 0.4601
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0665 1
Loa Loa (eye worm) hypothetical protein 0.0004 0.0101 0.0186
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0009 0.0302 0.0568
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0004 0.0101 0.0187
Echinococcus granulosus E3 ubiquitin protein ligase mib1 0.0001 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0009 0.0289 0.0539
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0019 0.0665 0.1247
Loa Loa (eye worm) hypothetical protein 0.0009 0.0289 0.0539
Echinococcus multilocularis glycine receptor subunit beta 0.0019 0.0665 0.0665
Schistosoma mansoni nAChR subunit 0.0019 0.0665 0.125
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0004 0.0101 0.0101
Loa Loa (eye worm) hypothetical protein 0.0049 0.1742 0.3275

Activities

Activity type Activity value Assay description Source Reference
Control Uptake (functional) = 100 % Uptake of 2-DOG (2-deoxyglucose) into L6 myocytes in the presence of half-maximal concentration of insulin at 100 microM. ChEMBL. 12617932
Inhibition (binding) = 0 % Inhibition of recombinant human phosphatase (SHP-2) at a concentration of 100 microM ChEMBL. 12617932
Inhibition (binding) = 0 % Inhibition of recombinant human phosphatase (SHP-2) at a concentration of 100 microM ChEMBL. 12617932
Inhibition (binding) = 5 % Inhibitory activity against human protein tyrosine phosphatase 1B (PTP1B) at a concentration of 1 microM ChEMBL. 12617932
Inhibition (binding) = 5 % Inhibitory activity against human protein tyrosine phosphatase 1B (PTP1B) at a concentration of 1 microM ChEMBL. 12617932
Inhibition (binding) = 8 % Inhibitory activity against phosphatase (LAR) at a concentration of 100 microM. ChEMBL. 12617932
Inhibition (binding) = 8 % Inhibitory activity against phosphatase (LAR) at a concentration of 100 microM. ChEMBL. 12617932
Inhibition (binding) = 25 % Inhibitory activity against human protein tyrosine phosphatase 1B (PTP1B) at a concentration of 10 microM ChEMBL. 12617932
Inhibition (binding) = 25 % Inhibitory activity against human protein tyrosine phosphatase 1B (PTP1B) at a concentration of 10 microM ChEMBL. 12617932
Inhibition (binding) = 80 % Inhibitory activity against human protein tyrosine phosphatase 1B (PTP1B) at a concentration of 100 microM ChEMBL. 12617932
Inhibition (binding) = 80 % Inhibitory activity against human protein tyrosine phosphatase 1B (PTP1B) at a concentration of 100 microM ChEMBL. 12617932

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

1 literature reference was collected for this gene.

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