Detailed information for compound 206838

Basic information

Technical information
  • TDR Targets ID: 206838
  • Name: 2-methyl-N-[2-[2-(2-methylpropanoylamino)phen yl]disulfanylphenyl]propanamide
  • MW: 388.547 | Formula: C20H24N2O2S2
  • H donors: 2 H acceptors: 2 LogP: 4.46 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(C)C)Nc1ccccc1SSc1ccccc1NC(=O)C(C)C
  • InChi: 1S/C20H24N2O2S2/c1-13(2)19(23)21-15-9-5-7-11-17(15)25-26-18-12-8-6-10-16(18)22-20(24)14(3)4/h5-14H,1-4H3,(H,21,23)(H,22,24)
  • InChiKey: OFHBVALSWFOTAY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-methyl-N-[2-[2-[(2-methyl-1-oxopropyl)amino]phenyl]disulfanylphenyl]propanamide
  • N-[2-[2-(isobutyrylamino)phenyl]disulfanylphenyl]-2-methyl-propionamide

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
Brugia malayi hypothetical protein 0.0125 0.0126 0.0124
Loa Loa (eye worm) phosphatidylinositol 3 0.0215 0.0434 0.046
Schistosoma mansoni nAChR subunit 0.0272 0.063 0.0607
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0272 0.063 0.0735
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0215 0.0434 0.0525
Loa Loa (eye worm) oxidoreductase 0.0331 0.0832 0.0906
Plasmodium vivax hypothetical protein, conserved 0.0215 0.0434 0.4186
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.2494 0.8269 1
Loa Loa (eye worm) hypothetical protein 0.0272 0.063 0.0679
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.1741 0.5682 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0125 0.0126 0.0124
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0465 0.1295 0.1274
Loa Loa (eye worm) hypothetical protein 0.0337 0.0854 0.0931
Schistosoma mansoni nAChR subunit 0.0125 0.0126 0.0102
Echinococcus multilocularis 0.0215 0.0434 0.0411
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0536 0.1539 0.1861
Loa Loa (eye worm) hypothetical protein 0.0125 0.0126 0.0114
Echinococcus multilocularis aldo keto reductase 0.0331 0.0832 0.081
Loa Loa (eye worm) hypothetical protein 0.0272 0.063 0.0679
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0331 0.0832 0.081
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0215 0.0434 0.4186
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0147 0.0199 0.0212
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.1466 0.4734 0.4722
Brugia malayi N-terminal motif family protein 0.0175 0.0296 0.0329
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0147 0.0199 0.0212
Echinococcus granulosus glycine receptor subunit alpha 1 0.0272 0.063 0.0607
Onchocerca volvulus 0.0272 0.063 0.75
Loa Loa (eye worm) hypothetical protein 0.0272 0.063 0.0679
Onchocerca volvulus 0.0125 0.0126 0.1263
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0874 0.2698 0.4726
Trypanosoma cruzi aldo/keto reductase, putative 0.0331 0.0832 0.1006
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0331 0.0832 1
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.1466 0.4734 1
Echinococcus granulosus glycine receptor subunit alpha 1 0.0272 0.063 0.0607
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.1256 0.4013 0.4838
Leishmania major phosphatidylinositol kinase, putative 0.0215 0.0434 0.0871
Giardia lamblia Aldose reductase 0.0331 0.0832 0.0924
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.1433 0.4623 0.8128
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0762 0.2315 0.4864
Trichomonas vaginalis PIKK family atypical protein kinase 0.1253 0.4002 0.7031
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0381 0.1004 0.208
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.1741 0.5682 1
Onchocerca volvulus 0.0331 0.0832 1
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0381 0.1004 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0272 0.063 0.0735
Loa Loa (eye worm) hypothetical protein 0.0125 0.0126 0.0114
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0272 0.063 0.0735
Onchocerca volvulus 0.0125 0.0126 0.1263
Loa Loa (eye worm) phosphatidylinositol kinase 0.0215 0.0434 0.046
Trichomonas vaginalis aldo-keto reductase, putative 0.0331 0.0832 0.1428
Trypanosoma cruzi aldo/keto reductase, putative 0.0096 0.0024 0.0029
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0215 0.0434 0.1031
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0689 0.2064 0.2473
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0961 0.2998 0.5963
Loa Loa (eye worm) hypothetical protein 0.0147 0.0199 0.0196
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.1466 0.4734 0.5726
Schistosoma mansoni nAChR subunit 0.0272 0.063 0.0607
Loa Loa (eye worm) hypothetical protein 0.0272 0.063 0.0679
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0331 0.0832 0.081
Onchocerca volvulus 0.0272 0.063 0.75
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1161 0.3688 0.4444
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0381 0.1004 0.1732
Trichomonas vaginalis PIKK family atypical protein kinase 0.1253 0.4002 0.7031
Trypanosoma brucei prostaglandin f synthase 0.0331 0.0832 0.1715
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0377 0.0991 0.0969
Loa Loa (eye worm) hypothetical protein 0.0272 0.063 0.0679
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.2997 1 1
Loa Loa (eye worm) hypothetical protein 0.0272 0.063 0.0679
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0125 0.0126 0.0102
Loa Loa (eye worm) phosphatidylinositol 3 0.0215 0.0434 0.046
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0381 0.1004 1
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0381 0.1004 0.1214
Leishmania major hypothetical protein, conserved 0.0304 0.074 0.1519
Loa Loa (eye worm) hypothetical protein 0.1161 0.3688 0.4109
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0272 0.063 0.0735
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.1741 0.5682 1
Onchocerca volvulus 0.0147 0.0199 0.216
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0272 0.063 0.0607
Loa Loa (eye worm) hypothetical protein 0.0592 0.1731 0.1914
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0272 0.063 0.0735
Entamoeba histolytica aldose reductase, putative 0.0331 0.0832 0.1428
Loa Loa (eye worm) hypothetical protein 0.0125 0.0126 0.0114
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0147 0.0199 0.0212
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0331 0.0832 0.081
Brugia malayi excitatory GABA receptor EXP-1A 0.0272 0.063 0.0735
Brugia malayi hypothetical protein 0.0125 0.0126 0.0124
Echinococcus granulosus glycine receptor subunit alpha 1 0.0272 0.063 0.0607
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0272 0.063 0.0735
Schistosoma mansoni hypothetical protein 0.0215 0.0434 0.0411
Onchocerca volvulus 0.0331 0.0832 1
Loa Loa (eye worm) hypothetical protein 0.0125 0.0126 0.0114
Schistosoma mansoni fkbp-rapamycin associated protein 0.0536 0.1539 0.1519
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0331 0.0832 0.081
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0215 0.0434 0.4186
Loa Loa (eye worm) hypothetical protein 0.0125 0.0126 0.0114
Loa Loa (eye worm) oxidoreductase 0.0331 0.0832 0.0906
Entamoeba histolytica hypothetical protein 0.0215 0.0434 0.0725
Brugia malayi Cation transporter family protein 0.0272 0.063 0.0735
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0215 0.0434 0.0725
Onchocerca volvulus 0.0125 0.0126 0.1263
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0272 0.063 0.0607
Loa Loa (eye worm) acetylcholine receptor protein 0.0125 0.0126 0.0114
Trichomonas vaginalis conserved hypothetical protein 0.0377 0.0991 0.1709
Loa Loa (eye worm) ACC-1 protein 0.0272 0.063 0.0679
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0331 0.0832 0.081
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0272 0.063 0.0607
Loa Loa (eye worm) hypothetical protein 0.0169 0.0277 0.0284
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0331 0.0832 0.081
Trichomonas vaginalis PIKK family atypical protein kinase 0.0913 0.2835 0.4968
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0331 0.0832 0.098
Echinococcus multilocularis gamma aminobutyric acid receptor subunit 0.0125 0.0126 0.0102
Trypanosoma brucei aldo-keto reductase, putative 0.0331 0.0832 0.1715
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0272 0.063 0.0607
Trichomonas vaginalis PIKK family atypical protein kinase 0.1126 0.3567 0.6263
Loa Loa (eye worm) hypothetical protein 0.0272 0.063 0.0679
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0215 0.0434 0.0525
Schistosoma mansoni neurotransmitter gated ion channel 0.0147 0.0199 0.0175
Trichomonas vaginalis conserved hypothetical protein 0.0592 0.1731 0.3016
Onchocerca volvulus 0.0272 0.063 0.75
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0272 0.063 0.0607
Leishmania major aldo-keto reductase-like protein 0.0331 0.0832 0.1715
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.2494 0.8269 0.8265
Brugia malayi hypothetical protein 0.0125 0.0126 0.0124
Echinococcus granulosus aldo keto reductase 0.0331 0.0832 0.081
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0215 0.0434 0.4186
Trichomonas vaginalis aldo-keto reductase, putative 0.0331 0.0832 0.1428
Brugia malayi FAT domain containing protein 0.0377 0.0991 0.1173
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0381 0.1004 0.1732
Entamoeba histolytica hypothetical protein 0.0147 0.0199 0.0308
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.1526 0.4942 0.8693
Trichomonas vaginalis PIKK family atypical protein kinase 0.125 0.3995 0.7017
Echinococcus multilocularis Zinc finger, PHD finger 0.0381 0.1004 0.0982
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.2494 0.8269 0.8265
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0381 0.1004 0.0982
Loa Loa (eye worm) GABA receptor subunit 0.0147 0.0199 0.0196
Toxoplasma gondii aldose reductase, putative 0.0331 0.0832 0.203
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0272 0.063 0.0607
Entamoeba histolytica hypothetical protein 0.0536 0.1539 0.2677
Trichomonas vaginalis aldo-keto reductase, putative 0.0331 0.0832 0.1428
Loa Loa (eye worm) hypothetical protein 0.0147 0.0199 0.0196
Loa Loa (eye worm) hypothetical protein 0.0125 0.0126 0.0114
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0592 0.1731 0.429
Trypanosoma cruzi target of rapamycin kinase 3 0.1296 0.4152 0.5021
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1466 0.4734 0.5713
Trichomonas vaginalis PIKK family atypical protein kinase 0.1083 0.342 0.6002
Schistosoma mansoni nAChR subunit 0.0272 0.063 0.0607
Loa Loa (eye worm) hypothetical protein 0.0147 0.0199 0.0196
Loa Loa (eye worm) hypothetical protein 0.0377 0.0991 0.1084
Trichomonas vaginalis PIKK family atypical protein kinase 0.1466 0.4734 0.8325
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0215 0.0434 0.0411
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0689 0.2064 0.3604
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0331 0.0832 0.081
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0215 0.0434 0.4186
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0215 0.0434 0.0525
Loa Loa (eye worm) hypothetical protein 0.0272 0.063 0.0679
Brugia malayi hypothetical protein 0.0125 0.0126 0.0124
Loa Loa (eye worm) oxidoreductase 0.0331 0.0832 0.0906
Echinococcus granulosus nAChR subunit 0.0272 0.063 0.0607
Trichomonas vaginalis PIKK family atypical protein kinase 0.1296 0.415 0.7292
Onchocerca volvulus 0.0147 0.0199 0.216
Trichomonas vaginalis PIKK family atypical protein kinase 0.1089 0.3438 0.6034
Loa Loa (eye worm) phosphatidylinositol 3 0.0215 0.0434 0.046
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0272 0.063 0.0607
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0536 0.1539 0.1861
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0331 0.0832 0.098
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0272 0.063 0.0607
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0689 0.2064 0.3604
Loa Loa (eye worm) hypothetical protein 0.0272 0.063 0.0679
Trichomonas vaginalis PIKK family atypical protein kinase 0.1083 0.3418 0.5998
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0554 0.1601 0.3348
Loa Loa (eye worm) hypothetical protein 0.0272 0.063 0.0679
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0272 0.063 0.0679
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0125 0.0126 0.0124
Trichomonas vaginalis PIKK family atypical protein kinase 0.0974 0.3045 0.5339
Loa Loa (eye worm) phosphatidylinositol 3 0.0215 0.0434 0.046
Echinococcus multilocularis nAChR subunit 0.0147 0.0199 0.0175
Echinococcus granulosus glycine receptor subunit beta 0.0272 0.063 0.0607
Entamoeba histolytica phosphatidylinositol 3-kinase 3, putative 0.0215 0.0434 0.0725
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0147 0.0199 0.0212
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0272 0.063 0.0735
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0381 0.1004 0.2463
Trypanosoma brucei phosphatidylinositol 3-kinase catalytic subunit, putative 0.0215 0.0434 0.0871
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0215 0.0434 0.0498
Trichomonas vaginalis PIKK family atypical protein kinase 0.1083 0.3418 0.5998
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0215 0.0434 0.0498
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0272 0.063 0.0607
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0272 0.063 0.0735
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0215 0.0434 0.1031
Loa Loa (eye worm) phosphatidylinositol 3 0.0474 0.1324 0.1458
Loa Loa (eye worm) hypothetical protein 0.0331 0.0832 0.0906
Trichomonas vaginalis aldo-keto reductase, putative 0.0331 0.0832 0.1428
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0272 0.063 0.0679
Trichomonas vaginalis conserved hypothetical protein 0.0321 0.08 0.137
Echinococcus multilocularis glycine receptor subunit beta 0.0272 0.063 0.0607
Onchocerca volvulus 0.0272 0.063 0.75
Trichomonas vaginalis PIKK family atypical protein kinase 0.0913 0.2835 0.4968
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.1161 0.3688 0.3672
Loa Loa (eye worm) hypothetical protein 0.0147 0.0199 0.0196
Loa Loa (eye worm) oxidoreductase 0.0331 0.0832 0.0906
Toxoplasma gondii target of rapamycin (TOR), putative 0.1253 0.4002 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0272 0.063 0.0735
Leishmania major phosphatidylinositol 3-kinase, putative 0.0913 0.2835 0.5968
Onchocerca volvulus 0.0331 0.0832 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1253 0.4002 0.7031
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0331 0.0832 0.081
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0913 0.2835 0.5968
Mycobacterium leprae conserved hypothetical protein 0.0215 0.0434 0.5079
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.2494 0.8269 0.8265
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0215 0.0434 0.0725
Schistosoma mansoni nAChR subunit 0.0272 0.063 0.0607
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0215 0.0434 0.0411
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0689 0.2064 0.2044
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0272 0.063 0.0679
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0331 0.0832 0.1715
Loa Loa (eye worm) ACC-1 protein 0.0272 0.063 0.0679
Loa Loa (eye worm) hypothetical protein 0.0125 0.0126 0.0114
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0331 0.0832 0.081
Trichomonas vaginalis aldo/keto reductase, putative 0.0331 0.0832 0.1428
Trichomonas vaginalis PIKK family atypical protein kinase 0.0384 0.1017 0.1754
Loa Loa (eye worm) neuronal acetylcholine receptor protein 0.0125 0.0126 0.0114
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0536 0.1539 0.1519
Loa Loa (eye worm) hypothetical protein 0.0272 0.063 0.0679
Echinococcus multilocularis nicotinic acetylcholine receptor subunit type 0.0125 0.0126 0.0102
Trichomonas vaginalis aldo-keto reductase, putative 0.0331 0.0832 0.1428
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0272 0.063 0.0735
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0321 0.08 0.0967
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0331 0.0832 0.081
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.1466 0.4734 1
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.1741 0.5682 0.6871
Echinococcus granulosus glycine receptor subunit beta 0.0272 0.063 0.0607
Trichomonas vaginalis PIKK family atypical protein kinase 0.1296 0.415 0.7292
Trichomonas vaginalis PIKK family atypical protein kinase 0.0536 0.1539 0.2677
Trichomonas vaginalis PIKK family atypical protein kinase 0.0876 0.2706 0.474
Loa Loa (eye worm) hypothetical protein 0.058 0.1689 0.1867
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0536 0.1539 0.1837
Mycobacterium ulcerans oxidoreductase 0.0331 0.0832 1
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.1269 0.4058 0.7129
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0331 0.0832 0.081
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0331 0.0832 0.1428
Entamoeba histolytica aldose reductase, putative 0.0331 0.0832 0.1428
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.1296 0.4152 0.8764
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0381 0.1004 0.0982
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0536 0.1539 0.1519
Leishmania major phosphatidylinositol 4-kinase, putative 0.0215 0.0434 0.0871
Mycobacterium leprae Conserved hypothetical protein 0.0235 0.0503 0.5922
Brugia malayi Cation transporter family protein 0.0272 0.063 0.0735
Loa Loa (eye worm) hypothetical protein 0.0337 0.0854 0.0931
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0689 0.2064 0.3604
Trichomonas vaginalis PIKK family atypical protein kinase 0.0215 0.0434 0.0725
Trichomonas vaginalis PIKK family atypical protein kinase 0.1296 0.415 0.7292
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0215 0.0434 0.0411
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0689 0.2064 0.2495
Trichomonas vaginalis PIKK family atypical protein kinase 0.1083 0.342 0.6002
Onchocerca volvulus 0.0331 0.0832 1
Entamoeba histolytica protein kinase rad3, putative 0.0536 0.1539 0.2677
Mycobacterium tuberculosis Probable oxidoreductase 0.0331 0.0832 1
Brugia malayi hypothetical protein 0.0125 0.0126 0.0124
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0331 0.0832 0.1715
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0689 0.2064 0.3604
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0272 0.063 0.0607
Trichomonas vaginalis PIKK family atypical protein kinase 0.1083 0.3418 0.5998
Loa Loa (eye worm) hypothetical protein 0.0272 0.063 0.0679
Mycobacterium tuberculosis Conserved hypothetical protein 0.0215 0.0434 0.5079
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.1741 0.5682 0.6871
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0331 0.0832 0.081
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0215 0.0434 0.0411
Echinococcus granulosus aldehyde reductase 0.0235 0.0503 0.0479
Loa Loa (eye worm) hypothetical protein 0.0125 0.0126 0.0114
Trichomonas vaginalis aldo-keto reductase, putative 0.0331 0.0832 0.1428
Brugia malayi Neuronal acetylcholine receptor protein, alpha-2 chain precursor 0.0125 0.0126 0.0124
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0125 0.0126 0.0124
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0215 0.0434 0.0411
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0331 0.0832 0.098
Plasmodium vivax hypothetical protein 0.0215 0.0434 0.4186
Trichomonas vaginalis aldo-keto reductase, putative 0.0331 0.0832 0.1428
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.1466 0.4734 1
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.1466 0.4734 0.8325
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0215 0.0434 0.0411
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0689 0.2064 0.4329
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.1466 0.4734 0.8325
Trypanosoma cruzi aldo-keto reductase 0.0331 0.0832 0.1006
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0331 0.0832 0.081
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0272 0.063 0.0679
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.1466 0.4734 0.4722
Trichomonas vaginalis PIKK family atypical protein kinase 0.1466 0.4734 0.8325
Echinococcus multilocularis aldo keto reductase 0.0331 0.0832 0.081
Loa Loa (eye worm) hypothetical protein 0.0125 0.0126 0.0114
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0215 0.0434 0.0411
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0377 0.0991 0.0969
Echinococcus multilocularis aldehyde reductase 0.0235 0.0503 0.0479
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0381 0.1004 0.1189
Trichomonas vaginalis aldo/keto reductase, putative 0.0331 0.0832 0.1428
Schistosoma mansoni nAChR subunit 0.0272 0.063 0.0607
Schistosoma mansoni aldo-keto reductase 0.0331 0.0832 0.081
Trichomonas vaginalis aldo-keto reductase, putative 0.0331 0.0832 0.1428
Trichomonas vaginalis PIKK family atypical protein kinase 0.0536 0.1539 0.2677
Schistosoma mansoni acetylcholine receptor subunit beta 0.0125 0.0126 0.0102
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0272 0.063 0.0679
Schistosoma mansoni nAChR subunit 0.0272 0.063 0.0607
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0331 0.0832 0.081
Loa Loa (eye worm) hypothetical protein 0.0272 0.063 0.0679
Echinococcus granulosus serine protein kinase ATM 0.0536 0.1539 0.1519
Trichomonas vaginalis PIKK family atypical protein kinase 0.1083 0.342 0.6002
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1741 0.5682 0.6862
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0215 0.0434 0.0498
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.0147 0.0199 0.0175
Echinococcus granulosus aldo keto reductase 0.0331 0.0832 0.081
Entamoeba histolytica hypothetical protein 0.0215 0.0434 0.0725
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0272 0.063 0.0607
Loa Loa (eye worm) hypothetical protein 0.0175 0.0296 0.0305
Trichomonas vaginalis PIKK family atypical protein kinase 0.1083 0.342 0.6002
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0147 0.0199 0.0175
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0689 0.2064 0.3604
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0215 0.0434 0.0525
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0536 0.1539 0.3216
Loa Loa (eye worm) hypothetical protein 0.0125 0.0126 0.0114
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.0215 0.0434 0.0525
Trichomonas vaginalis PIKK family atypical protein kinase 0.0215 0.0434 0.0725
Loa Loa (eye worm) oxidoreductase 0.0331 0.0832 0.0906
Loa Loa (eye worm) hypothetical protein 0.0272 0.063 0.0679
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0272 0.063 0.0607
Trichomonas vaginalis aldo-keto reductase, putative 0.0331 0.0832 0.1428
Trichomonas vaginalis aldo-keto reductase, putative 0.0331 0.0832 0.1428
Loa Loa (eye worm) hypothetical protein 0.0272 0.063 0.0679
Schistosoma mansoni acetylcholine receptor-related 0.0125 0.0126 0.0102
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0272 0.063 0.0735
Schistosoma mansoni neurotransmitter gated ion channel 0.0125 0.0126 0.0102
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0272 0.063 0.0607
Echinococcus granulosus aldo keto reductase 0.0331 0.0832 0.081
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0272 0.063 0.0607
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0474 0.1324 0.1601
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0125 0.0126 0.0124
Loa Loa (eye worm) hypothetical protein 0.0215 0.0434 0.046
Loa Loa (eye worm) hypothetical protein 0.0272 0.063 0.0679
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0536 0.1539 0.1519
Schistosoma mansoni aldo-keto reductase 0.0331 0.0832 0.081
Trichomonas vaginalis PIKK family atypical protein kinase 0.0913 0.2835 0.4968
Echinococcus granulosus gamma aminobutyric acid receptor subunit 0.0125 0.0126 0.0102
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0381 0.1004 0.208
Loa Loa (eye worm) hypothetical protein 0.0536 0.1539 0.1699
Brugia malayi Cation transporter family protein 0.0272 0.063 0.0735
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0272 0.063 0.0607
Giardia lamblia GTOR 0.1466 0.4734 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0853 0.2628 0.4603
Trichomonas vaginalis PIKK family atypical protein kinase 0.0876 0.2706 0.474
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0272 0.063 0.0735
Loa Loa (eye worm) phosphatidylinositol 3 0.125 0.3995 0.4453
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0272 0.063 0.0735
Echinococcus multilocularis aldo keto reductase 0.0331 0.0832 0.081
Trichomonas vaginalis PIKK family atypical protein kinase 0.1296 0.415 0.7292
Trichomonas vaginalis aldo-keto reductase, putative 0.0331 0.0832 0.1428
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.1466 0.4734 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0272 0.063 0.0735
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0331 0.0832 0.1428
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0125 0.0126 0.0114
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.1269 0.4058 0.7129
Schistosoma mansoni nAChR subunit 0.0272 0.063 0.0607
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0331 0.0832 0.1428
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0272 0.063 0.0607
Schistosoma mansoni neurotransmitter gated ion channel 0.0125 0.0126 0.0102
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0125 0.0126 0.0102
Leishmania major phosphatidylinositol kinase related protein, putative 0.0215 0.0434 0.0871
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0272 0.063 0.0607
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0536 0.1539 0.1837
Loa Loa (eye worm) hypothetical protein 0.0272 0.063 0.0679
Loa Loa (eye worm) phosphatidylinositol 3 0.1466 0.4734 0.5283
Echinococcus granulosus nAChR subunit 0.0147 0.0199 0.0175
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0381 0.1004 0.0982
Trichomonas vaginalis PIKK family atypical protein kinase 0.1253 0.4002 0.7031
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0381 0.1004 0.1099
Giardia lamblia Aldose reductase 0.0331 0.0832 0.0924
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.2494 0.8269 1
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0381 0.1004 0.1732
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0215 0.0434 0.1031
Loa Loa (eye worm) hypothetical protein 0.0125 0.0126 0.0114
Entamoeba histolytica aldose reductase, putative 0.0331 0.0832 0.1428
Trichomonas vaginalis PIKK family atypical protein kinase 0.0919 0.2854 0.5001
Trichomonas vaginalis aldo/keto reductase, putative 0.0331 0.0832 0.1428
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0381 0.1004 0.0982
Trypanosoma brucei target of rapamycin kinase 3, putative 0.1296 0.4152 0.8764
Trichomonas vaginalis PIKK family atypical protein kinase 0.0913 0.2835 0.4968
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0272 0.063 0.0679
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0331 0.0832 0.081
Leishmania major phosphatidylinositol 3-related kinase, putative 0.125 0.3995 0.8429
Echinococcus multilocularis nAChR subunit 0.0272 0.063 0.0607
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0331 0.0832 0.081
Entamoeba histolytica hypothetical protein 0.0215 0.0434 0.0725
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0381 0.1004 0.1214
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0272 0.063 0.0607
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0272 0.063 0.0607
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.1161 0.3688 0.3672
Loa Loa (eye worm) hypothetical protein 0.0125 0.0126 0.0114
Echinococcus granulosus hypothetical protein 0.0331 0.0832 0.081
Schistosoma mansoni hypothetical protein 0.0377 0.0991 0.0969
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0331 0.0832 0.098
Loa Loa (eye worm) hypothetical protein 0.0321 0.08 0.087
Entamoeba histolytica hypothetical protein 0.1433 0.4623 0.8128
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0272 0.063 0.0735
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.2494 0.8269 1
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0272 0.063 0.0607
Onchocerca volvulus 0.0272 0.063 0.75
Loa Loa (eye worm) hypothetical protein 0.0125 0.0126 0.0114
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0465 0.1295 0.1274
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.125 0.3995 0.8429
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0215 0.0434 0.0411
Loa Loa (eye worm) hypothetical protein 0.0147 0.0199 0.0196
Loa Loa (eye worm) hypothetical protein 0.0272 0.063 0.0679
Loa Loa (eye worm) hypothetical protein 0.0147 0.0199 0.0196
Loa Loa (eye worm) phosphatidylinositol 3 0.2689 0.8941 1
Loa Loa (eye worm) hypothetical protein 0.0147 0.0199 0.0196
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0215 0.0434 0.4186
Trichomonas vaginalis PIKK family atypical protein kinase 0.0321 0.08 0.137
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0331 0.0832 0.081
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.2997 1 1
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0272 0.063 0.0735
Loa Loa (eye worm) hypothetical protein 0.0125 0.0126 0.0114
Loa Loa (eye worm) LGC-31 protein 0.0272 0.063 0.0679
Loa Loa (eye worm) hypothetical protein 0.0147 0.0199 0.0196
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0272 0.063 0.0607
Leishmania major hypothetical protein, unknown function 0.0215 0.0434 0.0871
Echinococcus multilocularis serine protein kinase ATM 0.0536 0.1539 0.1519
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0175 0.0296 0.3362
Brugia malayi Acetylcholine receptor protein, alpha-like chain 1 precursor 0.0125 0.0126 0.0124
Onchocerca volvulus 0.0215 0.0434 0.5079
Schistosoma mansoni nAChR subunit 0.0125 0.0126 0.0102
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.1741 0.5682 1
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0381 0.1004 0.1732
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0381 0.1004 0.2463
Trichomonas vaginalis PIKK family atypical protein kinase 0.1296 0.415 0.7292
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0215 0.0434 0.0871
Trichomonas vaginalis PIKK family atypical protein kinase 0.1253 0.4002 0.7031
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0331 0.0832 0.081
Onchocerca volvulus 0.0331 0.0832 1
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.1466 0.4734 0.4722
Trichomonas vaginalis PIKK family atypical protein kinase 0.1126 0.3567 0.6263
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0272 0.063 0.0607
Trichomonas vaginalis PIKK family atypical protein kinase 0.1253 0.4002 0.7031
Loa Loa (eye worm) hypothetical protein 0.0147 0.0199 0.0196
Leishmania major phosphatidylinositol 3-kinase, putative 0.0381 0.1004 0.208
Onchocerca volvulus 0.0272 0.063 0.75
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0523 0.1494 0.2464
Schistosoma mansoni pol-related 0.0331 0.0832 0.081
Trichomonas vaginalis PIKK family atypical protein kinase 0.1253 0.4002 0.7031
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.1466 0.4734 0.5726
Onchocerca volvulus 0.0331 0.0832 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0874 0.2698 0.4726
Leishmania major prostaglandin f synthase, putative 0.0331 0.0832 0.1715
Trichomonas vaginalis PIKK family atypical protein kinase 0.0876 0.2706 0.474
Toxoplasma gondii FATC domain-containing protein 0.0536 0.1539 0.3808
Trichomonas vaginalis aldo-keto reductase, putative 0.0331 0.0832 0.1428
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0381 0.1004 0.0982
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0331 0.0832 0.081
Loa Loa (eye worm) hypothetical protein 0.0272 0.063 0.0679
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0272 0.063 0.0607
Loa Loa (eye worm) hypothetical protein 0.0125 0.0126 0.0114
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0331 0.0832 0.081
Echinococcus multilocularis aldo keto reductase 0.0331 0.0832 0.081
Echinococcus multilocularis glycine receptor subunit beta 0.0272 0.063 0.0607
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0272 0.063 0.0607
Trichomonas vaginalis PIKK family atypical protein kinase 0.1466 0.4734 0.8325
Onchocerca volvulus 0.0215 0.0434 0.5079
Onchocerca volvulus Putative nachr subunit 0.0272 0.063 0.75
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0381 0.1004 0.1732

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 41 uM In vitro concentration required to inhibit 50% of cholesteryl ester transfer protein mediated cholesteryl ester transfer from HDL to VLDL and LDL in human plasma ChEMBL. 11000011
IC50 (binding) = 41 uM In vitro concentration required to inhibit 50% of cholesteryl ester transfer protein mediated cholesteryl ester transfer from HDL to VLDL and LDL in human plasma ChEMBL. 11000011

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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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