Detailed information for compound 344034

Basic information

Technical information
  • TDR Targets ID: 344034
  • Name: 1-[4-hydroxy-5-(trityloxymethyl)oxolan-2-yl]p yrimidine-2,4-dione
  • MW: 470.516 | Formula: C28H26N2O5
  • H donors: 2 H acceptors: 3 LogP: 3.33 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC1CC(OC1COC(c1ccccc1)(c1ccccc1)c1ccccc1)n1ccc(=O)[nH]c1=O
  • InChi: 1S/C28H26N2O5/c31-23-18-26(30-17-16-25(32)29-27(30)33)35-24(23)19-34-28(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-17,23-24,26,31H,18-19H2,(H,29,32,33)
  • InChiKey: JJJNFNLUKYZAKI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[4-hydroxy-5-(trityloxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
  • 1-[4-hydroxy-5-(trityloxymethyl)-2-tetrahydrofuranyl]pyrimidine-2,4-dione
  • 1-[4-hydroxy-5-(trityloxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-quinone
  • 1-[4-hydroxy-5-[tri(phenyl)methoxymethyl]oxolan-2-yl]pyrimidine-2,4-dione
  • 1-[4-hydroxy-5-[tri(phenyl)methoxymethyl]tetrahydrofuran-2-yl]pyrimidine-2,4-dione
  • 1-[4-hydroxy-5-[tri(phenyl)methoxymethyl]-2-tetrahydrofuranyl]pyrimidine-2,4-dione
  • 1-[4-hydroxy-5-[tri(phenyl)methoxymethyl]tetrahydrofuran-2-yl]pyrimidine-2,4-quinone
  • 84472-83-3
  • 14270-73-6
  • NSC378650
  • NSC375393

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 granulosus p2X purinoceptor 4 0.0068 0.0273 0.0772
Brugia malayi Pre-SET motif family protein 0.0203 0.1113 0.2518
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.003 0.0021
Loa Loa (eye worm) hypothetical protein 0.011 0.0536 0.104
Mycobacterium tuberculosis Probable lipase LipD 0.0107 0.0514 0.125
Brugia malayi Carboxylesterase family protein 0.0547 0.3257 0.7376
Trypanosoma brucei C-8 sterol isomerase, putative 0.0732 0.4415 1
Loa Loa (eye worm) transcription factor SMAD2 0.0242 0.1354 0.2634
Loa Loa (eye worm) hypothetical protein 0.0107 0.0514 0.0998
Loa Loa (eye worm) hypothetical protein 0.0092 0.0425 0.0823
Echinococcus multilocularis acetylcholinesterase 0.0547 0.3257 0.3237
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0092 0.0425 0.1031
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0053 0.0177 0.0147
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0044 0.0122 0.0578
Brugia malayi Pax transcription activation domain interacting protein 0.0035 0.0069 0.0151
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0092 0.0425 0.1241
Loa Loa (eye worm) hypothetical protein 0.003 0.0035 0.0065
Echinococcus granulosus poly ADP ribose polymerase 1 0.0145 0.0751 0.2252
Echinococcus multilocularis survival motor neuron protein 1 0.0229 0.1279 0.1252
Mycobacterium tuberculosis Bacterioferritin BfrB 0.0044 0.0122 0.0292
Echinococcus multilocularis neutral alpha glucosidase AB 0.0035 0.0067 0.0037
Mycobacterium ulcerans hypothetical protein 0.0107 0.0514 0.3197
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0062 0.0238 0.0645
Echinococcus granulosus poly adp ribose polymerase 2 0.008 0.0345 0.0994
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0186 0.1009 0.3048
Loa Loa (eye worm) hypothetical protein 0.0035 0.0069 0.013
Loa Loa (eye worm) MH2 domain-containing protein 0.0242 0.1354 0.2634
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0065 0.0255 0.0572
Echinococcus multilocularis acetylcholinesterase 0.0547 0.3257 0.3237
Mycobacterium tuberculosis Probable lipase LipE 0.0107 0.0514 0.125
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0065 0.0255 0.2354
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.0044 0.0122 0.2337
Mycobacterium leprae conserved hypothetical protein 0.0107 0.0514 1
Loa Loa (eye worm) MBCTL1 0.0053 0.0177 0.0341
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0035 0.0069 0.0534
Schistosoma mansoni ferritin 0.0044 0.0122 0.0284
Entamoeba histolytica hypothetical protein 0.0072 0.0299 0.2766
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.0182 0.0986 0.9116
Schistosoma mansoni gliotactin 0.0092 0.0425 0.1223
Echinococcus granulosus survival motor neuron protein 1 0.0229 0.1279 0.3882
Loa Loa (eye worm) hypothetical protein 0.0092 0.0425 0.0823
Schistosoma mansoni biogenic amine (5HT) receptor 0.0401 0.2351 0.7191
Loa Loa (eye worm) hypothetical protein 0.0035 0.0069 0.013
Schistosoma mansoni hypothetical protein 0.0082 0.0359 0.1018
Entamoeba histolytica poly(ADP-ribose) polymerase, putative 0.0145 0.0751 0.695
Brugia malayi mbt repeat family protein 0.0046 0.0137 0.0306
Schistosoma mansoni apoferritin-2 0.0044 0.0122 0.0284
Brugia malayi Carboxylesterase family protein 0.0092 0.0425 0.0957
Schistosoma mansoni ferritin light chain 0.0044 0.0122 0.0284
Loa Loa (eye worm) hypothetical protein 0.0092 0.0425 0.0823
Echinococcus granulosus snurportin 1 0.032 0.1841 0.562
Mycobacterium ulcerans bacterioferritin BfrA 0.0044 0.0122 0.0747
Entamoeba histolytica hypothetical protein 0.0072 0.0299 0.2766
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0107 0.0514 0.1501
Echinococcus granulosus calpain A 0.0066 0.0258 0.0726
Echinococcus multilocularis p2X purinoceptor 4 0.0068 0.0273 0.0244
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0048 0.0146 0.0116
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0066 0.0258 0.0229
Schistosoma mansoni patched 1 0.0085 0.0378 0.1077
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0048 0.0146 0.038
Brugia malayi beta-lactamase 0.0107 0.0514 0.1161
Schistosoma mansoni hypothetical protein 0.0103 0.0491 0.143
Mycobacterium ulcerans hydrolase/amidase 0.0282 0.1604 1
Schistosoma mansoni aldehyde dehydrogenase 0.0124 0.0619 0.1826
Loa Loa (eye worm) latrophilin receptor protein 2 0.0048 0.0146 0.0281
Echinococcus granulosus Protein patched homolog 1 0.0085 0.0378 0.1095
Loa Loa (eye worm) calpain family protein 1 0.0044 0.0122 0.0234
Schistosoma mansoni ferritin 0.0044 0.0122 0.0284
Echinococcus granulosus Niemann Pick C1 protein 0.0283 0.161 0.4907
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0238 0.1334 0.4053
Echinococcus multilocularis protein patched 0.0085 0.0378 0.0349
Mycobacterium ulcerans aldehyde dehydrogenase 0.0124 0.0619 0.3852
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.0067 0.0523
Echinococcus multilocularis SAM and MBT domain containing protein 0.0046 0.0137 0.0107
Schistosoma mansoni biogenic amine (5HT) receptor 0.0141 0.0729 0.2165
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0067 0.0152
Schistosoma mansoni myelin transcription factor 1 myt1 0.0053 0.0177 0.0456
Echinococcus granulosus polycomb protein SCMH1 0.0046 0.0137 0.0352
Schistosoma mansoni ferritin 0.0044 0.0122 0.0284
Schistosoma mansoni sex comb on midleg homolog 0.0046 0.0137 0.0332
Plasmodium vivax deoxyuridine 5'-triphosphate nucleotidohydrolase, putative 0.0182 0.0986 1
Schistosoma mansoni hypothetical protein 0.0048 0.0146 0.036
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase, mitochondrial precursor, putative 0.0182 0.0986 0.9116
Loa Loa (eye worm) hypothetical protein 0.0148 0.0769 0.1493
Schistosoma mansoni hypothetical protein 0.0082 0.0359 0.1018
Mycobacterium ulcerans deoxyuridine 5'-triphosphate nucleotidohydrolase 0.0063 0.0243 0.1506
Trichomonas vaginalis esterase, putative 0.0107 0.0514 0.3994
Trichomonas vaginalis D-aminoacylase, putative 0.0107 0.0514 0.3994
Brugia malayi Importin beta-1 subunit 0.003 0.0035 0.0075
Schistosoma mansoni poly [ADP-ribose] polymerase 0.008 0.0345 0.0975
Trypanosoma cruzi FHA domain containing protein, putative 0.0035 0.0069 0.0156
Schistosoma mansoni acetylcholinesterase 0.0092 0.0425 0.1223
Loa Loa (eye worm) hypothetical protein 0.0198 0.1081 0.2102
Echinococcus granulosus GPCR family 2 0.0048 0.0146 0.038
Treponema pallidum bacterioferrin (TpF1) 0.0044 0.0122 0.0578
Brugia malayi CHE-14 protein 0.0085 0.0378 0.0851
Brugia malayi topoisomerase 0.0035 0.0069 0.0151
Trichomonas vaginalis spcc417.12 protein, putative 0.0092 0.0425 0.3297
Schistosoma mansoni alpha-glucosidase 0.0136 0.0697 0.2066
Mycobacterium tuberculosis Probable hydrolase 0.0107 0.0514 0.125
Onchocerca volvulus 0.0107 0.0514 0.3984
Schistosoma mansoni P2X receptor subunit 0.0068 0.0273 0.0753
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0067 0.0523
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0066 0.0258 0.0726
Echinococcus multilocularis sterol regulatory element binding protein 0.0085 0.0378 0.0349
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0046 0.0137 0.105
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0067 0.0523
Echinococcus multilocularis neuroligin 0.0092 0.0425 0.0396
Echinococcus multilocularis histone acetyltransferase MYST2 0.0053 0.0177 0.0147
Echinococcus granulosus poly (ADP ribose) polymerase 0.0045 0.0129 0.0327
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0069 0.0156
Schistosoma mansoni ferritin 0.0044 0.0122 0.0284
Brugia malayi RNA, U transporter 1 0.0085 0.0379 0.0855
Echinococcus granulosus biogenic amine 5HT receptor 0.0401 0.2351 0.7197
Plasmodium vivax replication factor C subunit 1, putative 0.0035 0.0069 0.0406
Echinococcus multilocularis Niemann Pick C1 protein 0.0283 0.161 0.1585
Chlamydia trachomatis deoxyuridine 5'-triphosphate nucleotidohydrolase 0.0182 0.0986 1
Onchocerca volvulus 0.0047 0.014 0.1075
Loa Loa (eye worm) poly(ADP-ribose) polymerase 0.0057 0.0204 0.0394
Mycobacterium ulcerans NAD-dependent DNA ligase LigA 0.0035 0.0069 0.0416
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0053 0.0177 0.0396
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0002 0.0005
Brugia malayi hypothetical protein 0.0538 0.32 0.7248
Mycobacterium ulcerans aldehyde dehydrogenase 0.0124 0.0619 0.3852
Loa Loa (eye worm) hypothetical protein 0.0062 0.0238 0.046
Echinococcus multilocularis poly (ADP ribose) polymerase 1 0.0145 0.0751 0.0724
Loa Loa (eye worm) acetylcholinesterase 1 0.0547 0.3257 0.634
Loa Loa (eye worm) carboxylesterase 0.0092 0.0425 0.0823
Mycobacterium ulcerans esterase/lipase LipP 0.0107 0.0514 0.3197
Schistosoma mansoni DNA ligase IV 0.0035 0.0069 0.012
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0203 0.1113 0.2164
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0092 0.0425 0.0396
Loa Loa (eye worm) hypothetical protein 0.0848 0.5136 1
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.018 0.0972 0.9853
Loa Loa (eye worm) hypothetical protein 0.0092 0.0425 0.0823
Loa Loa (eye worm) hypothetical protein 0.0044 0.0122 0.0234
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.0035 0.0069 0.0637
Echinococcus granulosus transcription factor Dp 1 0.0038 0.0084 0.0186
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0067 0.0623
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0067 0.0523
Echinococcus multilocularis poly (adp ribose) polymerase 2 0.008 0.0345 0.0316
Loa Loa (eye worm) hypothetical protein 0.0547 0.3257 0.634
Echinococcus multilocularis transcription factor Dp 1 0.0038 0.0084 0.0054
Echinococcus granulosus histone acetyltransferase MYST2 0.0053 0.0177 0.0475
Schistosoma mansoni apoferritin-2 0.0044 0.0122 0.0284
Brugia malayi dUTP diphosphatase 0.0182 0.0986 0.2229
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0238 0.1334 0.3018
Trichomonas vaginalis replication factor C large subunit, putative 0.0035 0.0069 0.0534
Echinococcus granulosus neutral alpha glucosidase AB 0.0035 0.0067 0.0136
Echinococcus granulosus expressed conserved protein 0.0186 0.1006 0.304
Echinococcus granulosus para nitrobenzyl esterase 0.0092 0.0425 0.1241
Trypanosoma cruzi hypothetical protein, conserved 0.0107 0.0514 0.1165
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0092 0.0425 0.1031
Echinococcus granulosus biogenic amine 5HT receptor 0.0141 0.0729 0.2181
Entamoeba histolytica hypothetical protein 0.0072 0.0299 0.2766
Entamoeba histolytica hypothetical protein 0.0035 0.0069 0.0637
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0065 0.0255 0.0696
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0069 0.0534
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.0182 0.0986 0.9116
Trichomonas vaginalis ferritin, putative 0.0044 0.0122 0.0946
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0124 0.0619 0.1506
Brugia malayi Carboxylesterase family protein 0.0092 0.0425 0.0957
Brugia malayi WGR domain containing protein 0.0145 0.0751 0.1698
Schistosoma mansoni alpha glucosidase 0.0035 0.0067 0.0115
Mycobacterium ulcerans beta-lactamase 0.0107 0.0514 0.3197
Schistosoma mansoni hypothetical protein 0.0047 0.014 0.0342
Loa Loa (eye worm) carboxylesterase 0.0092 0.0425 0.0823
Onchocerca volvulus 0.0148 0.0769 0.5963
Trichomonas vaginalis set domain proteins, putative 0.0231 0.1288 1
Loa Loa (eye worm) hypothetical protein 0.0229 0.1279 0.2486
Echinococcus multilocularis replication factor c subunit 1 0.0035 0.0069 0.0039
Loa Loa (eye worm) hypothetical protein 0.0107 0.0514 0.0998
Entamoeba histolytica hypothetical protein 0.0119 0.0591 0.5465
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0035 0.0067 0.0127
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase, putative 0.0063 0.0243 0.2251
Echinococcus multilocularis dUTP pyrophosphatase 0.0182 0.0986 0.0958
Toxoplasma gondii HEAT repeat-containing protein 0.003 0.0035 0.0055
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0035 0.0069 0.0534
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0066 0.0258 0.0707
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0065 0.0255 0.0492
Echinococcus granulosus acetylcholinesterase 0.0547 0.3257 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0238 0.1334 0.404
Brugia malayi Calcitonin receptor-like protein seb-1 0.0151 0.0789 0.1783
Toxoplasma gondii deoxyuridine 5'-triphosphate nucleotidohydrolase, putative 0.0182 0.0986 1
Loa Loa (eye worm) hypothetical protein 0.0085 0.0378 0.0731
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0238 0.1334 0.404
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0186 0.1009 0.0982
Loa Loa (eye worm) hypothetical protein 0.0044 0.0122 0.0234
Echinococcus granulosus expressed protein 0.0044 0.0122 0.0304
Trypanosoma cruzi poly(ADP-ribose) polymerase, putative 0.008 0.0345 0.0781
Trichomonas vaginalis conserved hypothetical protein 0.0085 0.0378 0.2932
Brugia malayi Glycosyl hydrolases family 31 protein 0.0035 0.0067 0.0148
Schistosoma mansoni hypothetical protein 0.0048 0.0146 0.036
Onchocerca volvulus 0.0092 0.0425 0.3286
Echinococcus granulosus nibrin 0.0035 0.0069 0.0141
Schistosoma mansoni importin beta-1 0.003 0.0035 0.0016
Mycobacterium leprae PROBABLE DEOXYCYTIDINE TRIPHOSPHATE DEAMINASE DCD (DCTP DEAMINASE) 0.0063 0.0243 0.4711
Trypanosoma cruzi hypothetical protein, conserved 0.0107 0.0514 0.1165
Mycobacterium tuberculosis Carboxylesterase LipT 0.0092 0.0425 0.1031
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0065 0.0255 0.0577
Echinococcus multilocularis lysosomal alpha glucosidase 0.0158 0.0834 0.0806
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0682 0.4101 1
Echinococcus multilocularis expressed protein 0.0044 0.0122 0.0092
Mycobacterium tuberculosis Probable esterase LipL 0.0107 0.0514 0.125
Mycobacterium leprae Probable lipase LipE 0.0107 0.0514 1
Brugia malayi mbt repeat family protein 0.0046 0.0137 0.0306
Onchocerca volvulus 0.0092 0.0425 0.3286
Loa Loa (eye worm) hypothetical protein 0.0048 0.0146 0.0281
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0002 0.0005
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0065 0.0255 0.0715
Entamoeba histolytica hypothetical protein 0.0119 0.0591 0.5465
Entamoeba histolytica hypothetical protein 0.0182 0.0986 0.9116
Echinococcus multilocularis calpain A 0.0066 0.0258 0.0229
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0198 0.1081 1
Echinococcus granulosus dUTP pyrophosphatase 0.0182 0.0986 0.2976
Mycobacterium ulcerans bacterioferritin BfrB 0.0044 0.0122 0.0747
Schistosoma mansoni hypothetical protein 0.0353 0.2052 0.6267
Loa Loa (eye worm) hypothetical protein 0.0053 0.0177 0.0341
Trichomonas vaginalis penicillin-binding protein, putative 0.0107 0.0514 0.3994
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0124 0.0619 0.1403
Schistosoma mansoni hypothetical protein 0.0285 0.1626 0.4945
Schistosoma mansoni hypothetical protein 0.032 0.1841 0.5611
Toxoplasma gondii aldehyde dehydrogenase 0.0124 0.0619 0.6167
Schistosoma mansoni BC026374 protein (S09 family) 0.0092 0.0425 0.1223
Echinococcus multilocularis serotonin receptor 0.0141 0.0729 0.0701
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.0067 0.0523
Schistosoma mansoni hypothetical protein 0.0082 0.0359 0.1018
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.0182 0.0986 0.9116
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0046 0.0137 0.0332
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0065 0.0255 0.0501
Echinococcus granulosus ferritin 0.0044 0.0122 0.0304
Trichomonas vaginalis sucrase-isomaltase, putative 0.0035 0.0067 0.0523
Echinococcus multilocularis importin subunit beta 1 0.003 0.0035 0.0005
Echinococcus granulosus lysosomal alpha glucosidase 0.0158 0.0834 0.2507
Echinococcus multilocularis expressed conserved protein 0.0186 0.1006 0.0979
Loa Loa (eye worm) hypothetical protein 0.0107 0.0514 0.0998
Onchocerca volvulus 0.0107 0.0514 0.3984
Schistosoma mansoni topbp1 0.0035 0.0069 0.012
Onchocerca volvulus 0.0046 0.0137 0.105
Loa Loa (eye worm) beta-lactamase 0.0107 0.0514 0.0998
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0107 0.0514 0.3197
Leishmania major C-8 sterol isomerase-like protein 0.0732 0.4415 1
Echinococcus multilocularis para nitrobenzyl esterase 0.0092 0.0425 0.0396
Loa Loa (eye worm) hypothetical protein 0.0107 0.0514 0.0998
Chlamydia trachomatis deoxycytidine triphosphate deaminase 0.0063 0.0243 0.1904
Brugia malayi latrophilin 2 splice variant baaae 0.0103 0.0491 0.1109
Loa Loa (eye worm) hypothetical protein 0.0104 0.0497 0.0963
Schistosoma mansoni topbp1 0.0035 0.0069 0.012
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0048 0.0146 0.038
Brugia malayi Carboxylesterase family protein 0.0547 0.3257 0.7376
Brugia malayi Carboxylesterase family protein 0.0092 0.0425 0.0957
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0035 0.0067 0.039
Brugia malayi Latrophilin receptor protein 2 0.0048 0.0146 0.0326
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0085 0.0378 0.0731
Loa Loa (eye worm) dUTP diphosphatase 0.0182 0.0986 0.1916
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0732 0.4415 1
Loa Loa (eye worm) hypothetical protein 0.0092 0.0425 0.0823
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0107 0.0514 0.0998
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0238 0.1334 0.2594
Onchocerca volvulus 0.0092 0.0425 0.3286
Loa Loa (eye worm) hypothetical protein 0.0107 0.0514 0.0998
Echinococcus granulosus sterol regulatory element binding protein 0.0085 0.0378 0.1095
Loa Loa (eye worm) hypothetical protein 0.0538 0.32 0.6229
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0069 0.0534
Echinococcus granulosus replication factor c subunit 1 0.0035 0.0069 0.0141
Trypanosoma brucei hypothetical protein, conserved 0.0107 0.0514 0.1094
Onchocerca volvulus 0.0092 0.0425 0.3286
Entamoeba histolytica hypothetical protein 0.0182 0.0986 0.9116
Echinococcus granulosus geminin 0.0353 0.2052 0.6274
Entamoeba histolytica acyl-coA synthetase, putative 0.0025 0.0002 0.002
Loa Loa (eye worm) carboxylesterase 0.0547 0.3257 0.634
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.0002 0.002
Brugia malayi beta-lactamase family protein 0.0107 0.0514 0.1161
Mycobacterium tuberculosis Conserved protein 0.0107 0.0514 0.125
Schistosoma mansoni P2X receptor subunit 0.0068 0.0273 0.0753
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0151 0.0789 0.1783
Loa Loa (eye worm) hypothetical protein 0.0141 0.0729 0.1415
Echinococcus multilocularis lysosomal alpha glucosidase 0.0158 0.0834 0.0806
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.014 0.0313
Giardia lamblia Replication factor C, subunit 1 0.0035 0.0069 0.5
Loa Loa (eye worm) hypothetical protein 0.0035 0.0069 0.013
Mycobacterium ulcerans deoxycytidine triphosphate deaminase 0.0063 0.0243 0.1506
Trypanosoma cruzi poly(ADP-ribose) polymerase, putative 0.008 0.0345 0.0781
Echinococcus granulosus neuroligin 0.0092 0.0425 0.1241
Entamoeba histolytica hypothetical protein 0.0063 0.0243 0.2251
Echinococcus granulosus WGR domain containing protein 0.0045 0.0129 0.0327
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0124 0.0619 0.0591
Loa Loa (eye worm) hypothetical protein 0.0141 0.0729 0.1415
Schistosoma mansoni hypothetical protein 0.0353 0.2052 0.6267
Trichomonas vaginalis D-aminoacylase, putative 0.0107 0.0514 0.3994
Echinococcus multilocularis poly (ADP ribose) polymerase 0.0033 0.0056 0.0026
Toxoplasma gondii ATPase, AAA family protein 0.0035 0.0069 0.0406
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.0002 0.002
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0069 0.0534
Loa Loa (eye worm) hypothetical protein 0.0062 0.0238 0.046
Echinococcus multilocularis carboxylesterase 5A 0.0547 0.3257 0.3237
Brugia malayi Carboxylesterase family protein 0.0092 0.0425 0.0957
Loa Loa (eye worm) hypothetical protein 0.0046 0.0137 0.0263
Loa Loa (eye worm) hypothetical protein 0.008 0.0345 0.0667
Loa Loa (eye worm) hypothetical protein 0.0848 0.5136 1
Brugia malayi hypothetical protein 0.0072 0.0299 0.0673
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0124 0.0619 0.1843
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0092 0.0425 0.3297
Trypanosoma brucei glucosidase, putative 0.0035 0.0067 0.0073
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0067 0.0523
Echinococcus granulosus acetylcholinesterase 0.0547 0.3257 1
Brugia malayi WGR domain containing protein 0.008 0.0345 0.0776
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0048 0.0146 0.0116
Schistosoma mansoni hypothetical protein 0.0048 0.0146 0.036
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0145 0.0751 0.2235
Brugia malayi hypothetical protein 0.0092 0.0425 0.0957
Trichomonas vaginalis D-aminoacylase, putative 0.0107 0.0514 0.3994
Mycobacterium tuberculosis Probable deoxycytidine triphosphate deaminase Dcd (dCTP deaminase) 0.0063 0.0243 0.0589
Loa Loa (eye worm) hypothetical protein 0.0107 0.0514 0.0998
Brugia malayi calpain family protein 1 0.0062 0.0238 0.0535
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0072 0.0299 0.0853
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0002 0.0005
Schistosoma mansoni alpha-glucosidase 0.0136 0.0697 0.2066
Echinococcus multilocularis snurportin 1 0.032 0.1841 0.1816
Leishmania major hypothetical protein, conserved 0.0107 0.0514 0.1165
Schistosoma mansoni hypothetical protein 0.0048 0.0146 0.036
Onchocerca volvulus 0.0091 0.0419 0.3239
Echinococcus multilocularis p2X purinoceptor 4 0.0068 0.0273 0.0244
Loa Loa (eye worm) hypothetical protein 0.0103 0.0491 0.0953
Loa Loa (eye worm) hypothetical protein 0.0092 0.0425 0.0823
Loa Loa (eye worm) hypothetical protein 0.0374 0.2182 0.4247
Echinococcus granulosus p2X purinoceptor 4 0.0068 0.0273 0.0772
Brugia malayi DKFZp564C0469 protein 0.0035 0.0069 0.0151
Mycobacterium ulcerans lipase LipD 0.0107 0.0514 0.3197
Brugia malayi calpain family protein 1 0.0062 0.0238 0.0535
Echinococcus multilocularis Niemann Pick C1 protein 0.0198 0.1081 0.1054
Leishmania major alpha glucosidase II subunit, putative 0.0035 0.0067 0.0152
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.0035 0.0069 0.0151
Schistosoma mansoni deoxyuridine 5'-triphosphate nucleotidohydrolase 0.0182 0.0986 0.2961
Echinococcus multilocularis serotonin receptor 0.0141 0.0729 0.0701
Entamoeba histolytica hypothetical protein 0.0072 0.0299 0.2766
Loa Loa (eye worm) hypothetical protein 0.0029 0.003 0.0054
Brugia malayi Pre-SET motif family protein 0.0029 0.003 0.0063
Onchocerca volvulus 0.0029 0.003 0.0217
Onchocerca volvulus 0.0107 0.0514 0.3984
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0053 0.0177 0.0475
Onchocerca volvulus 0.0231 0.1288 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0092 0.0425 0.1223
Onchocerca volvulus 0.0044 0.0122 0.0935
Echinococcus multilocularis calpain family protein 1, d 0.0044 0.0122 0.0093
Schistosoma mansoni P2X receptor subunit 0.0068 0.0273 0.0753
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0238 0.1334 0.404
Mycobacterium ulcerans aldehyde dehydrogenase 0.0124 0.0619 0.3852
Echinococcus granulosus BC026374 protein S09 family 0.0092 0.0425 0.1241
Echinococcus multilocularis ferritin 0.0044 0.0122 0.0092
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0107 0.0514 0.125
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0065 0.0255 0.0225
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0401 0.2351 0.2328
Schistosoma mansoni ferritin light chain 0.0044 0.0122 0.0284
Brugia malayi hypothetical protein 0.0035 0.0069 0.0151
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0201 0.11 0.3316
Echinococcus multilocularis nibrin 0.0035 0.0069 0.0039
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0092 0.0425 0.1223
Loa Loa (eye worm) hypothetical protein 0.0092 0.0425 0.0823
Plasmodium falciparum deoxyuridine 5'-triphosphate nucleotidohydrolase 0.0182 0.0986 1
Loa Loa (eye worm) hypothetical protein 0.0547 0.3257 0.634
Treponema pallidum deoxyuridine 5'-triphosphate nucleotidohydrolase (dut) 0.0182 0.0986 1
Loa Loa (eye worm) mbt repeat family protein 0.0046 0.0137 0.0263
Schistosoma mansoni hypothetical protein 0.0072 0.0299 0.0834
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0069 0.0534
Echinococcus granulosus beta LACTamase domain containing family member 0.0107 0.0514 0.1518
Echinococcus multilocularis polycomb protein SCMH1 0.0046 0.0137 0.0107
Onchocerca volvulus 0.0092 0.0425 0.3286
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0238 0.1334 0.4053
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0107 0.0514 0.1161
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0107 0.0514 0.125
Wolbachia endosymbiont of Brugia malayi deoxycytidine triphosphate deaminase 0.0063 0.0243 0.1904
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0066 0.0258 0.0707
Brugia malayi hypothetical protein 0.0229 0.1279 0.2893
Echinococcus granulosus carboxylesterase 5A 0.0547 0.3257 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0069 0.013
Loa Loa (eye worm) hypothetical protein 0.0732 0.4415 0.8595
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0067 0.0152
Mycobacterium leprae PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+]) 0.0035 0.0069 0.1302
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0107 0.0514 0.125
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0092 0.0425 0.1223
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0158 0.0834 0.162
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0035 0.0069 0.0534
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0065 0.0255 0.0577
Plasmodium vivax importin-beta 2, putative 0.003 0.0035 0.0055
Brugia malayi beta-lactamase family protein 0.0107 0.0514 0.1161
Schistosoma mansoni chromosome transmission fidelity factor 0.0035 0.0069 0.012
Trypanosoma brucei BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0035 0.0069 0.0077
Trypanosoma brucei poly(adp-ribose) polymerase 0.008 0.0345 0.0706
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0151 0.0789 0.1532
Echinococcus multilocularis protein dispatched 1 0.0097 0.0452 0.0424
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0547 0.3257 1
Toxoplasma gondii ABC1 family protein 0.0107 0.0514 0.5068
Brugia malayi hypothetical protein 0.0035 0.0069 0.0151
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0065 0.0255 0.0577
Mycobacterium tuberculosis Conserved protein 0.0107 0.0514 0.125
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0069 0.0278 0.0767
Schistosoma mansoni survival motor neuron protein 0.0047 0.014 0.0342
Echinococcus granulosus Niemann Pick C1 protein 0.0198 0.1081 0.3271
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0107 0.0514 0.1501
Plasmodium vivax hypothetical protein, conserved 0.0107 0.0514 0.5068
Echinococcus multilocularis beta LACTamase domain containing family member 0.0107 0.0514 0.0486
Trypanosoma cruzi BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0035 0.0069 0.0156
Trichomonas vaginalis deoxyuridine 5'-triphosphate nucleotidohydrolase, putative 0.0182 0.0986 0.7653
Loa Loa (eye worm) hypothetical protein 0.0035 0.0069 0.013
Mycobacterium tuberculosis Conserved protein 0.0107 0.0514 0.125
Schistosoma mansoni sex comb on midleg homolog 0.0046 0.0137 0.0332
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase, mitochondrial precursor, putative 0.0182 0.0986 0.9116
Brugia malayi hypothetical protein 0.0148 0.0769 0.1737
Mycobacterium ulcerans carboxylesterase, LipT 0.0092 0.0425 0.2637
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0069 0.0534
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0072 0.0299 0.027
Brugia malayi MH2 domain containing protein 0.0242 0.1354 0.3065
Schistosoma mansoni transcription factor LCR-F1 0.0072 0.0299 0.0834
Trichomonas vaginalis penicillin-binding protein, putative 0.0107 0.0514 0.3994
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0069 0.0156
Brugia malayi Glycosyl hydrolases family 31 protein 0.0158 0.0834 0.1885
Loa Loa (eye worm) calpain family protein 1 0.0062 0.0238 0.046
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.032 0.1841 0.3581
Schistosoma mansoni neuroligin 3 (S09 family) 0.0092 0.0425 0.1223
Trichomonas vaginalis maltase-glucoamylase, putative 0.0035 0.0067 0.0523
Loa Loa (eye worm) hypothetical protein 0.0035 0.0069 0.013
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0067 0.0523
Echinococcus multilocularis BC026374 protein (S09 family) 0.0092 0.0425 0.0396
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0732 0.4415 1
Schistosoma mansoni hypothetical protein 0.0082 0.0359 0.1018
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0067 0.0623
Echinococcus multilocularis GPCR, family 2 0.0048 0.0146 0.0116
Wolbachia endosymbiont of Brugia malayi dUTPase 0.0182 0.0986 1
Echinococcus granulosus p2X purinoceptor 4 0.0068 0.0273 0.0772
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.0182 0.0986 0.9116
Loa Loa (eye worm) hypothetical protein 0.0151 0.0789 0.1532
Schistosoma mansoni P2X receptor subunit 0.0068 0.0273 0.0753
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0238 0.1334 0.1308
Plasmodium falciparum replication factor C subunit 1, putative 0.0035 0.0069 0.0353
Brugia malayi Niemann-Pick C1 protein precursor 0.0198 0.1081 0.2445
Echinococcus granulosus importin subunit beta 1 0.003 0.0035 0.0037
Echinococcus multilocularis p2X purinoceptor 4 0.0068 0.0273 0.0244
Echinococcus granulosus SAM and MBT domain containing protein 0.0046 0.0137 0.0352
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.0044 0.0122 0.0292
Schistosoma mansoni aldehyde dehydrogenase 0.0124 0.0619 0.1826
Onchocerca volvulus 0.0035 0.0069 0.0519
Echinococcus multilocularis geminin 0.0353 0.2052 0.2028
Entamoeba histolytica deoxycytidine triphosphate deaminase, putative 0.0063 0.0243 0.2251
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0035 0.0069 0.0534
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0048 0.0146 0.0326
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0238 0.1334 0.1308

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 6 uM In vitro growth inhibitory activity against Plasmodium falciparum upon incubation at 37 degrees C with compound dissolved in DMSO using [3H]-hypoxanthine (50 uL) ChEMBL. 16161998
IC50 (functional) = 24 uM Inhibitory constant against Trypanosoma brucei rhodesiense upon incubation with the compound at 37 degrees C under a 5% CO2 atmosphere for 72 hours ChEMBL. 16161998
IC50 (functional) > 64 uM In vitro growth inhibitory activity against Leishmania donovani amastigotes at 37 degrees C under a 5% CO2 atmosphere for 96 hours ChEMBL. 16161998
IC50 (functional) = 192 uM In vitro cytotoxicity aganist rat skeletal myoblasts (L-6 cells) after 72 hours ChEMBL. 16161998
IC50 (functional) = 306 uM In vitro growth inhibitory activity against Trypanosoma cruzi in rat L-6 cells upon incubation at 37 degrees C in 5% CO2 atmosphere for 4 days ChEMBL. 16161998
Ki (binding) > 1 mM Inhibitory constant against Leishmania major deoxyuridine 5'-triphosphate nucleotidohydrolase ChEMBL. 16161998
Ki (binding) = 1.8 uM Inhibitory constant against Plasmodium falciparum deoxyuridine 5'-triphosphate nucleotidohydrolase expressed in E. coli BL21 (DE3) cells ChEMBL. 16161998
Ki (binding) > 18 uM Inhibitory constant against human deoxyuridine 5'-triphosphate nucleotidohydrolase expressed in E. coli BL21 (DE3) cells ChEMBL. 16161998
SI (binding) = 10 Selectivity index for Plasmodium falciparum deoxyuridine 5'-triphosphate nucleotidohydrolase defined as (Ki Human)/(Ki P. falciparum) ChEMBL. 16161998

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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