Detailed information for compound 32477

Basic information

Technical information
  • TDR Targets ID: 32477
  • Name: (2S)-2-amino-N-[(2S,3R,4R)-3-hydroxy-5-[[(2S) -1-[(2-hydroxy-4-methoxyphenyl)methylamino]-3 -methyl-1-oxobutan-2-yl]amino]-4-[(4-methoxyp henyl)methylamino]-5-oxo-1-phenylpentan-2-yl] -3,3-dimethylbutanamide
  • MW: 691.857 | Formula: C38H53N5O7
  • H donors: 7 H acceptors: 5 LogP: 4.58 Rotable bonds: 21
    Rule of 5 violations (Lipinski): 3
  • SMILES: COc1ccc(cc1)CN[C@H]([C@@H]([C@@H](NC(=O)[C@H](C(C)(C)C)N)Cc1ccccc1)O)C(=O)N[C@H](C(=O)NCc1ccc(cc1O)OC)C(C)C
  • InChi: 1S/C38H53N5O7/c1-23(2)31(35(46)41-22-26-15-18-28(50-7)20-30(26)44)43-36(47)32(40-21-25-13-16-27(49-6)17-14-25)33(45)29(19-24-11-9-8-10-12-24)42-37(48)34(39)38(3,4)5/h8-18,20,23,29,31-34,40,44-45H,19,21-22,39H2,1-7H3,(H,41,46)(H,42,48)(H,43,47)/t29-,31-,32+,33+,34+/m0/s1
  • InChiKey: SNMBGRGMHNXGBE-KCGNSSGESA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2S)-2-amino-N-[(1S,2R,3R)-1-benzyl-2-hydroxy-4-[[(1S)-1-[(2-hydroxy-4-methoxy-phenyl)methylcarbamoyl]-2-methyl-propyl]amino]-3-[(4-methoxyphenyl)methylamino]-4-oxo-butyl]-3,3-dimethyl-butanamide
  • (2S)-2-amino-N-[(1S,2R,3R)-1-benzyl-2-hydroxy-4-[[(1S)-1-[[(2-hydroxy-4-methoxyphenyl)methylamino]-oxomethyl]-2-methylpropyl]amino]-3-[(4-methoxyphenyl)methylamino]-4-oxobutyl]-3,3-dimethylbutanamide
  • (2S)-2-azanyl-N-[(2S,3R,4R)-3-hydroxy-5-[[(2S)-1-[(2-hydroxy-4-methoxy-phenyl)methylamino]-3-methyl-1-oxo-butan-2-yl]amino]-4-[(4-methoxyphenyl)methylamino]-5-oxo-1-phenyl-pentan-2-yl]-3,3-dimethyl-butanamide
  • (2S)-2-amino-N-[(1S,2R,3R)-1-benzyl-2-hydroxy-4-[[(1S)-1-[(2-hydroxy-4-methoxy-benzyl)carbamoyl]-2-methyl-propyl]amino]-4-keto-3-(p-anisylamino)butyl]-3,3-dimethyl-butyramide
  • (2S)-2-amino-N-[(1S,2R,3R)-2-hydroxy-4-[[(1S)-1-[(2-hydroxy-4-methoxy-phenyl)methylcarbamoyl]-2-methyl-propyl]amino]-3-[(4-methoxyphenyl)methylamino]-4-oxo-1-(phenylmethyl)butyl]-3,3-dimethyl-butanamide
  • (2S)-2-amino-N-[(1S,2R,3R)-2-hydroxy-4-[[(1S)-1-[[(2-hydroxy-4-methoxyphenyl)methylamino]-oxomethyl]-2-methylpropyl]amino]-3-[(4-methoxyphenyl)methylamino]-4-oxo-1-(phenylmethyl)butyl]-3,3-dimethylbutanamide
  • (2S)-2-amino-N-[(1S,2R,3R)-1-(benzyl)-2-hydroxy-4-[[(1S)-1-[(2-hydroxy-4-methoxy-benzyl)carbamoyl]-2-methyl-propyl]amino]-4-keto-3-[(4-methoxybenzyl)amino]butyl]-3,3-dimethyl-butyramide
  • (2S)-2-amino-N-[(2S,3R,4R)-3-hydroxy-5-[[(2S)-1-[(2-hydroxy-4-methoxy-phenyl)methylamino]-3-methyl-1-oxo-butan-2-yl]amino]-4-[(4-methoxyphenyl)methylamino]-5-oxo-1-phenyl-pentan-2-yl]-3,3-dimethyl-butanamide
  • (2R,3S,4S)-N-[4-[.tert.Leucinyl]amino]-3-hydroxy-2-(4-methoxybenzylamino)-5-phenylpentanoyl]valine 2-hydroxy-4-methoxy-benzylamide
  • AIDS-022452
  • AIDS022452

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
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0238 0.1541 0.1541
Loa Loa (eye worm) hypothetical protein 0.0048 0.0162 0.0162
Schistosoma mansoni hypothetical protein 0.0034 0.0061 0.0061
Trichomonas vaginalis glucosylceramidase, putative 0.0333 0.2233 0.5942
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0238 0.1541 1
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0238 0.1541 0.1541
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0048 0.0162 0.0162
Brugia malayi Glycosyl hydrolases family 31 protein 0.0133 0.0781 0.0781
Trichomonas vaginalis glucosylceramidase, putative 0.0333 0.2233 0.5942
Trichomonas vaginalis alpha-glucosidase, putative 0.0133 0.0781 0.13
Onchocerca volvulus 0.0117 0.0658 0.0658
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0238 0.1541 0.1541
Loa Loa (eye worm) hypothetical protein 0.0048 0.0162 0.0162
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0048 0.0162 0.0162
Loa Loa (eye worm) hypothetical protein 0.0048 0.0162 0.0162
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0048 0.0162 0.0162
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0048 0.0162 0.0162
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0379 0.2568 1
Loa Loa (eye worm) hypothetical protein 0.0094 0.0497 0.0497
Schistosoma mansoni hypothetical protein 0.0332 0.2228 0.2228
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0077 0.0375 0.4794
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0136 0.0136
Brugia malayi excitatory GABA receptor EXP-1A 0.0048 0.0162 0.0162
Leishmania major C-8 sterol isomerase-like protein 0.0379 0.2568 1
Schistosoma mansoni sodium/chloride dependent transporter 0.0238 0.1541 0.1541
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0048 0.0162 0.0162
Brugia malayi Abnormal catecholamine distribution protein 1 0.0739 0.5183 0.5183
Loa Loa (eye worm) hypothetical protein 0.0048 0.0162 0.0162
Echinococcus multilocularis lysosomal alpha glucosidase 0.0598 0.4159 0.4159
Loa Loa (eye worm) hypothetical protein 0.0117 0.0658 0.0658
Loa Loa (eye worm) hypothetical protein 0.0048 0.0162 0.0162
Loa Loa (eye worm) hypothetical protein 0.0048 0.0162 0.0162
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0048 0.0162 0.0162
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0048 0.0162 0.0162
Echinococcus multilocularis synaptic vesicular amine transporter 0.0739 0.5183 0.5183
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0117 0.0658 0.0658
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0238 0.1541 0.5
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0048 0.0162 0.0162
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0048 0.0162 0.0162
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0048 0.0162 0.0162
Echinococcus granulosus glycine receptor subunit alpha 1 0.0048 0.0162 0.0162
Schistosoma mansoni sodium-dependent amino acid transporter 0.0238 0.1541 0.1541
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0238 0.1541 0.1541
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0048 0.0162 0.0162
Loa Loa (eye worm) abnormal catecholamine distribution protein 1 0.0739 0.5183 0.5183
Plasmodium vivax hypothetical protein, conserved 0.0238 0.1541 0.5
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.0445 0.3047 0.3047
Echinococcus multilocularis neutral alpha glucosidase AB 0.0133 0.0781 0.0781
Onchocerca volvulus 0.0542 0.3752 0.3752
Loa Loa (eye worm) LGC-31 protein 0.0048 0.0162 0.0162
Brugia malayi Cation transporter family protein 0.0048 0.0162 0.0162
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0136 0.0136
Loa Loa (eye worm) solute carrier family 6 member 4 0.1402 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0508 0.3503 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0048 0.0162 0.0162
Trichomonas vaginalis glucosylceramidase, putative 0.0508 0.3503 1
Brugia malayi hypothetical protein 0.0238 0.1541 0.1541
Trichomonas vaginalis glucosylceramidase, putative 0.0333 0.2233 0.5942
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0048 0.0162 0.0162
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0133 0.0781 0.13
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0177 0.0177
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0133 0.0781 1
Brugia malayi vesicular acetylcholine transporter unc-17 0.0445 0.3047 0.3047
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0238 0.1541 0.1541
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0238 0.1541 0.1541
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0508 0.3503 0.3503
Plasmodium vivax amine transporter, putative 0.0238 0.1541 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0177 0.0177
Echinococcus multilocularis nAChR subunit 0.0048 0.0162 0.0162
Brugia malayi hypothetical protein 0.0158 0.0957 0.0957
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0048 0.0162 0.0162
Echinococcus multilocularis sodium and chloride dependent glycine 0.0238 0.1541 0.1541
Loa Loa (eye worm) hypothetical protein 0.0158 0.0957 0.0957
Trichomonas vaginalis glucosylceramidase, putative 0.0351 0.2364 0.6359
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0133 0.0781 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0136 0.0136
Brugia malayi Bromodomain containing protein 0.0073 0.0341 0.0341
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0238 0.1541 0.1541
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0238 0.1541 0.1541
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0238 0.1541 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0598 0.4159 0.4159
Loa Loa (eye worm) hypothetical protein 0.0238 0.1541 0.1541
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0048 0.0162 0.0162
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0048 0.0162 0.0162
Brugia malayi hypoxia-induced factor 1 0.0145 0.0869 0.0869
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0048 0.0162 0.0162
Loa Loa (eye worm) hypothetical protein 0.0117 0.0658 0.0658
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0048 0.0162 0.0162
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0238 0.1541 0.1541
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0048 0.0162 0.0162
Trypanosoma brucei glucosidase, putative 0.0133 0.0781 0.1854
Loa Loa (eye worm) hypothetical protein 0.0238 0.1541 0.1541
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0048 0.0162 0.0162
Echinococcus granulosus sodium and chloride dependent glycine 0.0238 0.1541 0.1541
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0133 0.0781 0.13
Brugia malayi Bromodomain containing protein 0.0037 0.0082 0.0082
Trichomonas vaginalis sucrase-isomaltase, putative 0.0133 0.0781 0.13
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0048 0.0162 0.0162
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0238 0.1541 0.1541
Trichomonas vaginalis glucosylceramidase, putative 0.0333 0.2233 0.5942
Brugia malayi Cation transporter family protein 0.0048 0.0162 0.0162
Loa Loa (eye worm) hypothetical protein 0.0048 0.0162 0.0162
Onchocerca volvulus Glucosylceramidase homolog 0.0333 0.2233 0.2233
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0048 0.0162 0.0162
Schistosoma mansoni nAChR subunit 0.0048 0.0162 0.0162
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0048 0.0162 0.0162
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0048 0.0162 0.0162
Onchocerca volvulus 0.0238 0.1541 0.1541
Loa Loa (eye worm) norepinephrine transporter 0.1402 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0136 0.0136
Plasmodium falciparum amino acid transporter, putative 0.0238 0.1541 0.5
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0048 0.0162 0.0162
Schistosoma mansoni alpha-glucosidase 0.0542 0.3752 0.3752
Loa Loa (eye worm) hypothetical protein 0.0379 0.2568 0.2568
Schistosoma mansoni alpha-glucosidase 0.0542 0.3752 0.3752
Echinococcus multilocularis sodium and chloride dependent glycine 0.0238 0.1541 0.1541
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0177 0.0177
Loa Loa (eye worm) hypothetical protein 0.0238 0.1541 0.1541
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0136 0.0136
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0048 0.0162 0.0162
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0238 0.1541 0.1541
Loa Loa (eye worm) hypothetical protein 0.0048 0.0162 0.0162
Echinococcus granulosus neutral alpha glucosidase AB 0.0133 0.0781 0.0781
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0238 0.1541 0.1541
Trypanosoma cruzi hypothetical protein, conserved 0.0133 0.0781 0.1854
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0048 0.0162 0.0162
Loa Loa (eye worm) serotonin transporter b 0.1402 1 1
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0048 0.0162 0.0162
Onchocerca volvulus 0.0048 0.0162 0.0162
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0048 0.0162 0.0162
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0136 0.0136
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0048 0.0162 0.0162
Treponema pallidum sodium- and chloride- dependent transporter 0.1402 1 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0508 0.3503 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.0065 0.0065
Echinococcus multilocularis transfer RNA-Lys 0.0035 0.0064 0.0064
Loa Loa (eye worm) ACC-1 protein 0.0048 0.0162 0.0162
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0048 0.0162 0.0162
Loa Loa (eye worm) hypothetical protein 0.1402 1 1
Onchocerca volvulus 0.1402 1 1
Schistosoma mansoni hypothetical protein 0.0332 0.2228 0.2228
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0048 0.0162 0.0162
Schistosoma mansoni vesicular acetylcholine transporter 0.0445 0.3047 0.3047
Trichomonas vaginalis glucosylceramidase, putative 0.0333 0.2233 0.5942
Onchocerca volvulus Putative nachr subunit 0.0048 0.0162 0.0162
Echinococcus multilocularis geminin 0.0332 0.2228 0.2228
Toxoplasma gondii hypothetical protein 0.0238 0.1541 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0061 0.0061
Schistosoma mansoni nAChR subunit 0.0048 0.0162 0.0162
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.0445 0.3047 0.3047
Brugia malayi Glycosyl hydrolases family 31 protein 0.0598 0.4159 0.4159
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0238 0.1541 0.1541
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0238 0.1541 0.1541
Loa Loa (eye worm) hypothetical protein 0.1402 1 1
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0379 0.2568 0.2568
Loa Loa (eye worm) hypothetical protein 0.0077 0.0375 0.0375
Trichomonas vaginalis glucosylceramidase, putative 0.0508 0.3503 1
Echinococcus granulosus sodium and chloride dependent glycine 0.0238 0.1541 0.1541
Onchocerca volvulus 0.0048 0.0162 0.0162
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0598 0.4159 0.4159
Schistosoma mansoni nAChR subunit 0.0048 0.0162 0.0162
Echinococcus granulosus glycine receptor subunit alpha 1 0.0048 0.0162 0.0162
Loa Loa (eye worm) hypothetical protein 0.0048 0.0162 0.0162
Trichomonas vaginalis glucosylceramidase, putative 0.0508 0.3503 1
Brugia malayi PAS domain containing protein 0.0047 0.0153 0.0153
Loa Loa (eye worm) hypothetical protein 0.0048 0.0162 0.0162
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0238 0.1541 0.1541
Loa Loa (eye worm) hypothetical protein 0.0238 0.1541 0.1541
Brugia malayi bHLH-PAS transcription factor 0.0035 0.0064 0.0064
Echinococcus granulosus nAChR subunit 0.0048 0.0162 0.0162
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0048 0.0162 0.0162
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0048 0.0162 0.0162
Schistosoma mansoni vesicular amine transporter 0.0739 0.5183 0.5183
Loa Loa (eye worm) hypothetical protein 0.0069 0.0311 0.0311
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0048 0.0162 0.0162
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0117 0.0658 0.0658
Trichomonas vaginalis alpha-glucosidase, putative 0.0133 0.0781 0.13
Schistosoma mansoni alpha glucosidase 0.0133 0.0781 0.0781
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0048 0.0162 0.0162
Echinococcus multilocularis serotonin transporter 0.1402 1 1
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0238 0.1541 0.1541
Mycobacterium ulcerans putative regulatory protein 0.0035 0.0064 0.5
Onchocerca volvulus 0.0035 0.0064 0.0064
Onchocerca volvulus 0.0048 0.0162 0.0162
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0238 0.1541 0.1541
Echinococcus granulosus single minded 2 0.0035 0.0064 0.0064
Echinococcus granulosus glycine receptor subunit beta 0.0048 0.0162 0.0162
Loa Loa (eye worm) ACC-1 protein 0.0048 0.0162 0.0162
Trichomonas vaginalis alpha-glucosidase, putative 0.0133 0.0781 0.13
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0136 0.0136
Loa Loa (eye worm) hypothetical protein 0.0048 0.0162 0.0162
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0048 0.0162 0.0162
Schistosoma mansoni nAChR subunit 0.0048 0.0162 0.0162
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.0065 0.0065
Leishmania major alpha glucosidase II subunit, putative 0.0133 0.0781 0.1854
Echinococcus granulosus glycine receptor subunit beta 0.0048 0.0162 0.0162
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0048 0.0162 0.0162
Echinococcus granulosus serotonin transporter 0.1402 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0333 0.2233 0.5942
Loa Loa (eye worm) hypothetical protein 0.005 0.0177 0.0177
Loa Loa (eye worm) hypothetical protein 0.0041 0.0113 0.0113
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0048 0.0162 0.0162
Echinococcus granulosus glycine receptor subunit alpha 1 0.0048 0.0162 0.0162
Trichomonas vaginalis glucosylceramidase, putative 0.0508 0.3503 1
Trichomonas vaginalis glucosylceramidase, putative 0.0333 0.2233 0.5942
Echinococcus multilocularis glycine receptor subunit beta 0.0048 0.0162 0.0162
Loa Loa (eye worm) hypothetical protein 0.0238 0.1541 0.1541
Loa Loa (eye worm) hypothetical protein 0.0238 0.1541 0.1541
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0136 0.0136
Schistosoma mansoni single-minded 0.0047 0.0153 0.0153
Echinococcus granulosus vesicular acetylcholine transporter 0.0445 0.3047 0.3047
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0058 0.0233 0.0233
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0133 0.0781 0.0781
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0238 0.1541 0.1541
Trichomonas vaginalis alpha-glucosidase, putative 0.0133 0.0781 0.13
Schistosoma mansoni aryl hydrocarbon receptor 0.0047 0.0153 0.0153
Loa Loa (eye worm) hypothetical protein 0.004 0.0099 0.0099
Onchocerca volvulus 0.0117 0.0658 0.0658
Loa Loa (eye worm) hypothetical protein 0.0194 0.122 0.122
Echinococcus multilocularis glycine receptor subunit beta 0.0048 0.0162 0.0162
Toxoplasma gondii hypothetical protein 0.0238 0.1541 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0133 0.0781 0.13
Loa Loa (eye worm) hypothetical protein 0.0048 0.0162 0.0162
Loa Loa (eye worm) hypoxia-induced factor 1 0.0145 0.0869 0.0869
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0048 0.0162 0.0162
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0048 0.0162 0.0162
Brugia malayi Glycosyl hydrolases family 31 protein 0.0077 0.0375 0.0375
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.1402 1 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0048 0.0162 0.0162
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0061 0.0061
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0238 0.1541 0.1541
Trypanosoma brucei C-8 sterol isomerase, putative 0.0379 0.2568 1
Trypanosoma cruzi hypothetical protein, conserved 0.0133 0.0781 0.1854
Schistosoma mansoni nAChR subunit 0.0048 0.0162 0.0162
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0238 0.1541 0.1541
Loa Loa (eye worm) hypothetical protein 0.1402 1 1
Onchocerca volvulus 0.0238 0.1541 0.1541
Schistosoma mansoni nAChR subunit 0.0048 0.0162 0.0162
Loa Loa (eye worm) hypothetical protein 0.0048 0.0162 0.0162
Trichomonas vaginalis glucosylceramidase, putative 0.0351 0.2364 0.6359
Brugia malayi Cation transporter family protein 0.0117 0.0658 0.0658
Echinococcus granulosus geminin 0.0332 0.2228 0.2228
Loa Loa (eye worm) hypothetical protein 0.0048 0.0162 0.0162
Echinococcus multilocularis vesicular acetylcholine transporter 0.0445 0.3047 0.3047
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0238 0.1541 1
Echinococcus granulosus lysosomal alpha glucosidase 0.0598 0.4159 0.4159
Onchocerca volvulus 0.0238 0.1541 0.1541
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0048 0.0162 0.0162
Onchocerca volvulus Uncharacterized family 31 glucosidase KIAA1161 homolog 0.0077 0.0375 0.0375
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0508 0.3503 0.3503
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0238 0.1541 0.1541
Loa Loa (eye worm) hypothetical protein 0.0048 0.0162 0.0162
Trichomonas vaginalis maltase-glucoamylase, putative 0.0133 0.0781 0.13
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0136 0.0136
Loa Loa (eye worm) hypothetical protein 0.0037 0.0083 0.0083
Onchocerca volvulus 0.0117 0.0658 0.0658
Schistosoma mansoni sodium/chloride dependent transporter 0.1402 1 1
Echinococcus granulosus synaptic vesicular amine transporter 0.0739 0.5183 0.5183
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0048 0.0162 0.0162
Plasmodium falciparum transporter, putative 0.0238 0.1541 0.5
Schistosoma mansoni sodium/chloride dependent transporter 0.0238 0.1541 0.1541
Loa Loa (eye worm) hypothetical protein 0.0048 0.0162 0.0162
Schistosoma mansoni nAChR subunit 0.0048 0.0162 0.0162
Loa Loa (eye worm) hypothetical protein 0.0238 0.1541 0.1541
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0058 0.0233 0.0233
Loa Loa (eye worm) hypothetical protein 0.0048 0.0162 0.0162
Schistosoma mansoni bromodomain containing protein 0.0062 0.0259 0.0259

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 70 uM In vitro inhibitory concentration against Chymotrypsin-like activity of the purified human placenta 20S Proteasome ChEMBL. 11392545
IC50 (functional) = 70 uM In vitro inhibitory concentration against Chymotrypsin-like activity of the purified human placenta 20S Proteasome ChEMBL. 11392545

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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