Detailed information for compound 1400524

Basic information

Technical information
  • TDR Targets ID: 1400524
  • Name: N-[5-[(4-fluorophenyl)methyl-methylsulfamoyl] -1,3,4-thiadiazol-2-yl]-4-methylbenzamide
  • MW: 420.481 | Formula: C18H17FN4O3S2
  • H donors: 1 H acceptors: 5 LogP: 2.98 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)C(=O)Nc1nnc(s1)S(=O)(=O)N(Cc1ccc(cc1)F)C
  • InChi: 1S/C18H17FN4O3S2/c1-12-3-7-14(8-4-12)16(24)20-17-21-22-18(27-17)28(25,26)23(2)11-13-5-9-15(19)10-6-13/h3-10H,11H2,1-2H3,(H,20,21,24)
  • InChiKey: RIZBQNQWGIFDEP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[5-[(4-fluorophenyl)methyl-methyl-sulfamoyl]-1,3,4-thiadiazol-2-yl]-4-methyl-benzamide
  • N-[5-[(4-fluorobenzyl)-methyl-sulfamoyl]-1,3,4-thiadiazol-2-yl]-4-methyl-benzamide
  • E880-0392
  • NCGC00126038-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens relaxin/insulin-like family peptide receptor 1 Starlite/ChEMBL No references

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 alkaline phosphatase, intestinal, gene 2 0.0335 0.3705 0.3696
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0043 0.027 0.0232
Schistosoma mansoni thyroid hormone receptor 0.0095 0.0883 0.0847
Brugia malayi nuclear receptor NHR-67 0.0045 0.0295 0.0349
Schistosoma mansoni nuclear receptor 0.0045 0.0295 0.0257
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0325 0.3588 0.5844
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0045 0.0295 0.0411
Brugia malayi PHD-finger family protein 0.0025 0.0063 0.0024
Echinococcus multilocularis thioredoxin glutathione reductase 0.0049 0.0341 0.0328
Brugia malayi hypothetical protein 0.0043 0.0279 0.0327
Brugia malayi Mitochondrial import inner membrane translocase subunit TIM10 0.0053 0.0385 0.0477
Brugia malayi isocitrate dehydrogenase 0.0034 0.0167 0.017
Echinococcus granulosus tar DNA binding protein 0.0127 0.1257 0.1245
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0053 0.0389 0.0352
Brugia malayi Pre-SET motif family protein 0.0228 0.2439 0.3363
Giardia lamblia Fructose-bisphosphate aldolase 0.0325 0.3588 1
Schistosoma mansoni nuclear receptor nhr-48 0.0045 0.0295 0.0257
Loa Loa (eye worm) hypothetical protein 0.005 0.0358 0.0499
Toxoplasma gondii histone lysine methyltransferase SET1 0.0124 0.1227 1
Brugia malayi F/Y-rich N-terminus family protein 0.0042 0.0262 0.0304
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0036 0.0195 0.0157
Loa Loa (eye worm) TAR-binding protein 0.0127 0.1257 0.1755
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0324 0.031
Loa Loa (eye worm) hypothetical protein 0.0045 0.0295 0.0411
Brugia malayi Bromodomain containing protein 0.0062 0.0493 0.0628
Onchocerca volvulus 0.063 0.7162 1
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0073 0.0621 0.0608
Echinococcus granulosus Nuclear hormone receptor HR96 0.0045 0.0295 0.0281
Plasmodium falciparum mitochondrial import inner membrane translocase subunit TIM10, putative 0.0053 0.0385 0.8178
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0095 0.0883 0.0847
Echinococcus granulosus alkaline phosphatase 0.0335 0.3705 0.3696
Brugia malayi MH2 domain containing protein 0.0043 0.027 0.0314
Echinococcus multilocularis lysine specific demethylase 5A 0.0071 0.0608 0.0595
Echinococcus multilocularis intestinal type alkaline phosphatase 0.0335 0.3705 0.3696
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0124 0.122 0.7176
Echinococcus granulosus thioredoxin glutathione reductase 0.0049 0.0341 0.0328
Schistosoma mansoni hypothetical protein 0.0115 0.1118 0.1083
Brugia malayi RNA binding protein 0.0127 0.1257 0.1702
Plasmodium falciparum mitochondrial import inner membrane translocase subunit TIM23, putative 0.0045 0.0292 0.5967
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0095 0.0883 0.1176
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.004 0.0239 0.0225
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0053 0.0389 0.0352
Echinococcus granulosus chromobox protein 1 0.0078 0.0679 0.0666
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0034 0.0167 0.0153
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0095 0.0883 0.087
Onchocerca volvulus Huntingtin homolog 0.0135 0.1351 0.1689
Echinococcus multilocularis FTZ F1 alpha 0.0095 0.0883 0.087
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0043 0.027 0.0256
Echinococcus multilocularis expressed protein 0.0053 0.0385 0.0372
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0095 0.0883 0.087
Loa Loa (eye worm) glutathione reductase 0.0049 0.0341 0.0477
Echinococcus granulosus Smad4 0.0043 0.027 0.0256
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0095 0.0883 0.1176
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0027 0.0087 0.0128
Schistosoma mansoni hypothetical protein 0.0248 0.2683 0.2655
Plasmodium vivax mitochondrial import inner membrane translocase subunit TIM23, putative 0.0045 0.0292 0.5967
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0045 0.0295 0.0257
Loa Loa (eye worm) hypothetical protein 0.0059 0.0462 0.0645
Loa Loa (eye worm) hypothetical protein 0.0045 0.0301 0.0421
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0095 0.0883 0.087
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0095 0.0883 0.1233
Trichomonas vaginalis glucosylceramidase, putative 0.0542 0.6133 1
Echinococcus granulosus zinc finger protein 0.0025 0.0067 0.0054
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0115 0.1118 0.1106
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0095 0.0883 0.1233
Schistosoma mansoni jumonji/arid domain-containing protein 0.0077 0.0675 0.0639
Loa Loa (eye worm) hypothetical protein 0.0095 0.0883 0.1233
Schistosoma mansoni smad 0.0043 0.027 0.0232
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.005 0.0358 0.032
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.013 0.0199
Schistosoma mansoni hypothetical protein 0.0043 0.0279 0.0241
Schistosoma mansoni tar DNA-binding protein 0.0127 0.1257 0.1223
Loa Loa (eye worm) glutaminase 2 0.0282 0.3077 0.4296
Loa Loa (eye worm) hypothetical protein 0.005 0.0358 0.0499
Brugia malayi chromobox protein homolog 3 0.0043 0.0279 0.0328
Loa Loa (eye worm) transcription factor SMAD2 0.0626 0.7117 0.9937
Brugia malayi Pre-SET motif family protein 0.0034 0.0166 0.0169
Loa Loa (eye worm) hypothetical protein 0.0363 0.4032 0.5629
Brugia malayi jmjC domain containing protein 0.0077 0.0675 0.0884
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0045 0.0295 0.0179
Plasmodium vivax glutathione reductase, putative 0.0049 0.0341 0.7131
Loa Loa (eye worm) hypothetical protein 0.0095 0.0883 0.1233
Loa Loa (eye worm) hypothetical protein 0.0095 0.0883 0.1233
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0325 0.3588 0.5844
Echinococcus multilocularis PHD finger protein rhinoceros 0.0059 0.0462 0.0449
Onchocerca volvulus 0.0045 0.0295 0.0179
Schistosoma mansoni tar DNA-binding protein 0.0127 0.1257 0.1223
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0095 0.0883 0.1176
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0279 0.0442
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.004 0.0239 0.0225
Schistosoma mansoni bromodomain containing protein 0.0074 0.0638 0.0602
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0279 0.0265
Onchocerca volvulus 0.0259 0.2806 0.377
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0542 0.6133 0.8563
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0136 0.1365 0.1332
Brugia malayi ecdysteroid receptor 0.0095 0.0883 0.1176
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0095 0.0883 0.087
Echinococcus multilocularis nuclear receptor nhr 48 0.0045 0.0295 0.0281
Loa Loa (eye worm) hypothetical protein 0.0045 0.0292 0.0408
Brugia malayi nuclear receptor RXR 0.005 0.0358 0.0438
Trichomonas vaginalis glucosylceramidase, putative 0.0356 0.3945 0.6427
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0045 0.0295 0.0257
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0073 0.0621 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0325 0.3588 0.5844
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0025 0.006 0.0046
Echinococcus granulosus lysine specific demethylase 5A 0.0077 0.0675 0.0662
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0111 0.1074 0.6184
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0325 0.3588 1
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0045 0.0295 0.0349
Echinococcus granulosus expressed protein 0.0053 0.0385 0.0372
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0031 0.0136 0.0122
Toxoplasma gondii TIM10 family protein, putative 0.0053 0.0385 0.2067
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0115 0.1118 0.1106
Onchocerca volvulus 0.0047 0.0315 0.0209
Loa Loa (eye worm) hypothetical protein 0.0095 0.0883 0.1233
Brugia malayi PHD-finger family protein 0.0031 0.0137 0.0128
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0029 0.0106 0.0092
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0095 0.0883 0.1233
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0159 0.1635 1
Echinococcus multilocularis Smad4 0.0043 0.027 0.0256
Loa Loa (eye worm) hypothetical protein 0.0045 0.0295 0.0411
Brugia malayi latrophilin 2 splice variant baaae 0.0248 0.2683 0.3706
Loa Loa (eye worm) thioredoxin reductase 0.0049 0.0341 0.0477
Loa Loa (eye worm) hypothetical protein 0.005 0.0358 0.0499
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.007 0.0592 0.0579
Trichomonas vaginalis chromobox protein, putative 0.0047 0.0318 0.0505
Schistosoma mansoni thyroid hormone receptor 0.0095 0.0883 0.0847
Trichomonas vaginalis glucosylceramidase, putative 0.0356 0.3945 0.6427
Schistosoma mansoni mitochondrial import inner membrane translocase subunit tim10 0.0053 0.0385 0.0348
Echinococcus multilocularis smad 0.0043 0.027 0.0256
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0095 0.0883 0.1176
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0027 0.0087 0.0128
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0111 0.1074 0.6184
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0095 0.0883 0.0847
Echinococcus multilocularis tumor protein p63 0.0335 0.3695 0.3686
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0025 0.006 0.0046
Onchocerca volvulus 0.0095 0.0883 0.1021
Trypanosoma brucei trypanothione reductase 0.0049 0.0341 0.3842
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0095 0.0883 0.0847
Brugia malayi hypothetical protein 0.0045 0.0295 0.0349
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0115 0.1118 0.1106
Loa Loa (eye worm) PHD-finger family protein 0.0059 0.0462 0.0645
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0027 0.0087 0.0128
Plasmodium falciparum glutathione reductase 0.0049 0.0341 0.7131
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0095 0.0883 0.087
Loa Loa (eye worm) hypothetical protein 0.0043 0.0279 0.039
Echinococcus granulosus Nuclear hormone receptor HR96 0.0045 0.0295 0.0281
Toxoplasma gondii mitochondrial import inner membrane translocase subunit TIM10, putative 0.0053 0.0385 0.2067
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0836 0.9582 0.9581
Echinococcus multilocularis chromobox protein 1 0.0078 0.0679 0.0666
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0111 0.1074 0.6184
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0045 0.0295 0.0281
Schistosoma mansoni hypothetical protein 0.0059 0.0462 0.0425
Toxoplasma gondii PHD-finger domain-containing protein 0.0059 0.0462 0.279
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0045 0.0295 0.0179
Brugia malayi Calcitonin receptor-like protein seb-1 0.0363 0.4032 0.5601
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0034 0.0166 0.0152
Echinococcus granulosus alkaline phosphatase intestinal gene 2 0.0335 0.3705 0.3696
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0095 0.0883 0.1021
Echinococcus multilocularis GPCR, family 2 0.0115 0.1118 0.1106
Loa Loa (eye worm) hypothetical protein 0.0101 0.0957 0.1336
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0363 0.4032 0.5601
Echinococcus granulosus jumonji domain containing protein 0.0082 0.0734 0.0721
Onchocerca volvulus 0.0049 0.0344 0.025
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0027 0.0087 0.0128
Brugia malayi MH1 domain containing protein 0.0043 0.027 0.0314
Schistosoma mansoni Smad4 0.0043 0.027 0.0232
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0073 0.0621 0.0585
Onchocerca volvulus Alhambra homolog 0.0059 0.0462 0.0419
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0045 0.0295 0.0281
Toxoplasma gondii thioredoxin reductase 0.0049 0.0341 0.1652
Loa Loa (eye worm) hypothetical protein 0.0045 0.0295 0.0411
Loa Loa (eye worm) latrophilin receptor protein 2 0.0115 0.1118 0.1561
Schistosoma mansoni tar DNA-binding protein 0.0127 0.1257 0.1223
Mycobacterium tuberculosis Probable oxidoreductase 0.0124 0.122 0.7176
Brugia malayi glutathione reductase 0.0049 0.0341 0.0415
Loa Loa (eye worm) hypothetical protein 0.0034 0.0169 0.0236
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0034 0.0167 0.0153
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0027 0.0087 0.0128
Loa Loa (eye worm) transport to inner mitochondrial membrane family member 0.0053 0.0385 0.0538
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0095 0.0883 0.1176
Echinococcus granulosus fetal alzheimer antigen falz 0.0029 0.0106 0.0092
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0095 0.0883 0.087
Brugia malayi Smad1 0.0043 0.027 0.0314
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0034 0.0167 0.0153
Echinococcus granulosus cpg binding protein 0.0069 0.0583 0.0569
Trichomonas vaginalis glucosylceramidase, putative 0.0356 0.3945 0.6427
Echinococcus granulosus FTZ F1 alpha 0.0095 0.0883 0.087
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0027 0.0087 0.0128
Trichomonas vaginalis glucosylceramidase, putative 0.0542 0.6133 1
Trichomonas vaginalis glucosylceramidase, putative 0.0356 0.3945 0.6427
Loa Loa (eye worm) hypothetical protein 0.0079 0.0693 0.0968
Brugia malayi hypothetical protein 0.0135 0.1351 0.1833
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0095 0.0883 0.087
Loa Loa (eye worm) hypothetical protein 0.0045 0.0295 0.0411
Schistosoma mansoni smad1 5 8 and 0.0043 0.027 0.0232
Loa Loa (eye worm) hypothetical protein 0.0095 0.0883 0.1233
Loa Loa (eye worm) hypothetical protein 0.0045 0.0295 0.0411
Trichomonas vaginalis glucosylceramidase, putative 0.0542 0.6133 1
Echinococcus multilocularis chromobox protein 1 0.0078 0.0679 0.0666
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0325 0.3588 0.5844
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0095 0.0883 0.1233
Echinococcus multilocularis jumonji domain containing protein 0.0082 0.0734 0.0721
Brugia malayi MH2 domain containing protein 0.0626 0.7117 0.9937
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.007 0.0592 0.0579
Schistosoma mansoni jumonji domain containing protein 0.0154 0.1572 0.154
Schistosoma mansoni RAR-like nuclear receptor 0.0095 0.0883 0.0847
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0095 0.0883 0.1176
Schistosoma mansoni smad1 5 8 and 0.0043 0.027 0.0232
Onchocerca volvulus Protein ultraspiracle homolog 0.0095 0.0883 0.1021
Loa Loa (eye worm) hypothetical protein 0.0095 0.0883 0.1233
Trypanosoma cruzi trypanothione reductase, putative 0.0049 0.0341 0.3842
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0124 0.122 0.7176
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.013 0.0199
Loa Loa (eye worm) Smad1 0.0043 0.027 0.0377
Loa Loa (eye worm) hypothetical protein 0.0025 0.0063 0.0088
Schistosoma mansoni retinoic acid receptor RXR 0.0095 0.0883 0.0847
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0095 0.0883 0.0847
Brugia malayi hypothetical protein 0.063 0.7162 1
Brugia malayi nuclear receptor NHR-88 0.0045 0.0295 0.0349
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0045 0.0295 0.0281
Schistosoma mansoni nuclear hormone receptor 0.0095 0.0883 0.0847
Brugia malayi jmjC domain containing protein 0.0193 0.2039 0.28
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0095 0.0883 0.1176
Echinococcus granulosus transcription factor Dp 1 0.0042 0.0262 0.0249
Echinococcus granulosus PHD finger protein rhinoceros 0.0059 0.0462 0.0449
Schistosoma mansoni hypothetical protein 0.0115 0.1118 0.1083
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0073 0.0621 0.0608
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0095 0.0883 0.1176
Echinococcus granulosus intestinal type alkaline phosphatase 0.0335 0.3705 0.3696
Echinococcus multilocularis intestinal type alkaline phosphatase 1 0.0335 0.3705 0.3696
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0045 0.0295 0.0281
Brugia malayi hypothetical protein 0.005 0.0358 0.0438
Brugia malayi Nuclear hormone receptor E75 0.0045 0.0295 0.0349
Schistosoma mansoni tar DNA-binding protein 0.0127 0.1257 0.1223
Brugia malayi TAR-binding protein 0.0127 0.1257 0.1702
Loa Loa (eye worm) hypothetical protein 0.0248 0.2683 0.3746
Brugia malayi hypothetical protein 0.005 0.0358 0.0438
Loa Loa (eye worm) RNA binding protein 0.0127 0.1257 0.1755
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0095 0.0883 0.087
Schistosoma mansoni retinoid-x-receptor (RXR) 0.005 0.0358 0.032
Loa Loa (eye worm) hypothetical protein 0.0095 0.0883 0.1233
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0095 0.0883 0.1176
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0324 0.039
Trichomonas vaginalis glucosylceramidase, putative 0.0356 0.3945 0.6427
Echinococcus multilocularis mitochondrial import inner membrane translocase subunit TIM23, putative 0.0045 0.0292 0.0279
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0045 0.0295 0.0281
Echinococcus multilocularis thyroid hormone receptor alpha 0.0095 0.0883 0.087
Brugia malayi nuclear receptor NHR-88 0.0095 0.0883 0.1176
Brugia malayi Nuclear hormone receptor E75 0.0045 0.0295 0.0349
Trichomonas vaginalis glucosylceramidase, putative 0.0542 0.6133 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0124 0.122 0.26
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0027 0.0087 0.0128
Loa Loa (eye worm) DR-78 0.0045 0.0295 0.0411
Loa Loa (eye worm) heterochromatin protein 1 0.0078 0.0679 0.0949
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0049 0.0341 0.119
Brugia malayi hypothetical protein 0.004 0.0242 0.0275
Loa Loa (eye worm) isocitrate dehydrogenase 0.0034 0.0167 0.0233
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0324 0.0286
Loa Loa (eye worm) hypothetical protein 0.0095 0.0883 0.1233
Schistosoma mansoni cellular tumor antigen P53 0.0049 0.0344 0.0306
Onchocerca volvulus Bile acid receptor homolog 0.0095 0.0883 0.1021
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0095 0.0883 0.087
Loa Loa (eye worm) hypothetical protein 0.0045 0.0295 0.0411
Loa Loa (eye worm) hypothetical protein 0.0045 0.0295 0.0411
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0325 0.3588 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0193 0.2039 0.2028
Schistosoma mansoni cpg binding protein 0.0069 0.0583 0.0546
Onchocerca volvulus Huntingtin homolog 0.0135 0.1351 0.1689
Loa Loa (eye worm) jmjC domain-containing protein 0.0122 0.12 0.1675
Echinococcus granulosus mothers against decapentaplegic 5 0.0043 0.027 0.0256
Onchocerca volvulus 0.0064 0.0515 0.0495
Plasmodium falciparum phd finger protein, putative 0.0059 0.0462 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.005 0.0358 0.0344
Loa Loa (eye worm) hypothetical protein 0.005 0.0358 0.0499
Schistosoma mansoni smad1 5 8 and 0.0043 0.027 0.0232
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0325 0.3588 0.5844
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0542 0.6133 0.8554
Brugia malayi Isocitrate dehydrogenase 0.0034 0.0167 0.017
Loa Loa (eye worm) hypothetical protein 0.0135 0.1351 0.1886
Leishmania major trypanothione reductase 0.0049 0.0341 0.3842
Schistosoma mansoni coup transcription factor 0.0095 0.0883 0.0847
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0034 0.0167 0.0129
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0034 0.0167 0.0153
Brugia malayi steroid hormone receptor 0.0095 0.0883 0.1176
Mycobacterium ulcerans glutaminase 0.0282 0.3077 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0325 0.3588 0.5844
Loa Loa (eye worm) MH1 domain-containing protein 0.0043 0.027 0.0377
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0115 0.1118 0.1106
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0073 0.0621 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0095 0.0883 0.0847
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0073 0.0621 0.0867
Brugia malayi Latrophilin receptor protein 2 0.0115 0.1118 0.1506
Loa Loa (eye worm) hypothetical protein 0.0045 0.0295 0.0411
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0095 0.0883 0.087
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0034 0.0167 0.2984
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0053 0.0389 0.0375
Mycobacterium tuberculosis Probable dehydrogenase 0.0111 0.1074 0.6184
Schistosoma mansoni nuclear receptor 0.0045 0.0295 0.0257
Echinococcus multilocularis tar DNA binding protein 0.0127 0.1257 0.1245
Plasmodium vivax thioredoxin reductase, putative 0.0049 0.0341 0.7131
Toxoplasma gondii isocitrate dehydrogenase 0.0034 0.0167 0.0006
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0095 0.0883 0.087
Trichomonas vaginalis chromobox protein, putative 0.0078 0.0679 0.1095
Brugia malayi Nuclear hormone receptor-like 1 0.0095 0.0883 0.1176
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0228 0.2439 0.3405
Schistosoma mansoni nuclear hormone receptor 0.0045 0.0295 0.0257
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0325 0.3588 0.5844
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0279 0.0265
Trichomonas vaginalis glucosylceramidase, putative 0.0375 0.417 0.6794
Loa Loa (eye worm) hypothetical protein 0.0045 0.0295 0.0411
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0059 0.0462 0.0425
Loa Loa (eye worm) hypothetical protein 0.0135 0.1351 0.1886
Brugia malayi nuclear hormone receptor family member nhr-6 0.0045 0.0295 0.0349
Trichomonas vaginalis chromobox protein, putative 0.0047 0.0318 0.0505
Loa Loa (eye worm) hypothetical protein 0.0045 0.0295 0.0411
Loa Loa (eye worm) MH2 domain-containing protein 0.0043 0.027 0.0377
Loa Loa (eye worm) histone methyltransferase 0.0021 0.0014 0.002
Schistosoma mansoni zinc finger protein 0.0045 0.0295 0.0257
Schistosoma mansoni zinc finger protein 0.0025 0.0067 0.0029
Toxoplasma gondii isocitrate dehydrogenase 0.0034 0.0167 0.0006
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0034 0.0167 0.0153
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0073 0.0621 0.0808
Loa Loa (eye worm) hypothetical protein 0.063 0.7162 1
Brugia malayi glutaminase DH11.1 0.0282 0.3077 0.4259
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0127 0.1257 0.1755
Schistosoma mansoni jumonji/arid domain-containing protein 0.0077 0.0675 0.0639
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0115 0.1118 0.1506
Loa Loa (eye worm) steroid hormone receptor 0.0095 0.0883 0.1233
Plasmodium falciparum thioredoxin reductase 0.0049 0.0341 0.7131
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0027 0.0087 0.0128
Onchocerca volvulus Glucosylceramidase homolog 0.0356 0.3945 0.5399
Brugia malayi hypothetical protein 0.004 0.0242 0.0275
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0095 0.0883 0.0847
Trichomonas vaginalis glucosylceramidase, putative 0.0542 0.6133 1
Brugia malayi Heterochromatin protein 1 0.0078 0.0679 0.089
Brugia malayi hypothetical protein 0.0045 0.0295 0.0349
Schistosoma mansoni hypothetical protein 0.0174 0.1814 0.1782
Echinococcus multilocularis alkaline phosphatase 0.0335 0.3705 0.3696
Loa Loa (eye worm) nuclear factor I 0.0024 0.0046 0.0064
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0324 0.031
Loa Loa (eye worm) hypothetical protein 0.0043 0.027 0.0378
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0324 0.0286
Brugia malayi MH2 domain containing protein 0.0043 0.027 0.0314
Brugia malayi nuclear receptor RXR 0.0045 0.0295 0.0349
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0043 0.0279 0.0158
Trichomonas vaginalis glucosylceramidase, putative 0.0356 0.3945 0.6427
Brugia malayi CXXC zinc finger family protein 0.0064 0.0515 0.0659
Onchocerca volvulus 0.0045 0.0295 0.0179
Echinococcus granulosus smad 0.0043 0.027 0.0256
Schistosoma mansoni cpg binding protein 0.0069 0.0583 0.0546
Brugia malayi nuclear hormone receptor family member odr-7 0.0045 0.0295 0.0349
Echinococcus granulosus histone lysine methyltransferase setb 0.0053 0.0389 0.0375
Brugia malayi Nuclear hormone receptor-like 1 0.005 0.0358 0.0438
Echinococcus granulosus ecdysone induced protein 78C 0.0095 0.0883 0.087
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0279 0.0442
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0047 0.0315 0.0277
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0073 0.0621 0.1035
Echinococcus granulosus peregrin 0.0062 0.0493 0.048
Brugia malayi MH1 domain containing protein 0.0043 0.027 0.0314
Loa Loa (eye worm) nuclear hormone receptor 0.0045 0.0295 0.0411
Toxoplasma gondii mitochondrial inner membrane translocase subunit TIM17, putative 0.0045 0.0292 0.119
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0095 0.0883 0.1176
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0111 0.1074 0.6184
Echinococcus granulosus chromobox protein 1 0.0078 0.0679 0.0666
Echinococcus multilocularis zinc finger protein 0.0025 0.0067 0.0054
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0095 0.0883 0.1176
Brugia malayi PHD-finger family protein 0.0059 0.0462 0.0585
Loa Loa (eye worm) hypothetical protein 0.0045 0.0295 0.0411
Plasmodium vivax SET domain protein, putative 0.0034 0.0166 0.2968
Echinococcus multilocularis ecdysone induced protein 78C 0.0095 0.0883 0.087
Trichomonas vaginalis set domain proteins, putative 0.0259 0.2806 0.4567
Loa Loa (eye worm) jmjC domain-containing protein 0.0077 0.0675 0.0943
Schistosoma mansoni tar DNA-binding protein 0.0127 0.1257 0.1223
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0159 0.1635 1
Brugia malayi tailless protein 0.0045 0.0295 0.0349
Brugia malayi conserved hypotetical protein 0.0045 0.0295 0.0349
Loa Loa (eye worm) hypothetical protein 0.0049 0.0344 0.048
Echinococcus multilocularis peregrin 0.0062 0.0493 0.048
Echinococcus granulosus GPCR family 2 0.0115 0.1118 0.1106
Echinococcus granulosus thyroid hormone receptor alpha 0.0045 0.0295 0.0281
Loa Loa (eye worm) PHD-finger family protein 0.0023 0.0039 0.0054
Brugia malayi ecdysone receptor 0.0045 0.0295 0.0349
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0324 0.031
Mycobacterium tuberculosis Probable reductase 0.0111 0.1074 0.6184
Schistosoma mansoni cpg binding protein 0.0064 0.0515 0.0478
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0325 0.3588 0.5844
Echinococcus granulosus TGF beta signal transducer SmadC 0.0043 0.027 0.0256
Loa Loa (eye worm) hypothetical protein 0.0115 0.1118 0.1561
Echinococcus multilocularis transcription factor Dp 1 0.0042 0.0262 0.0249
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.0045 0.0292 0.0346
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0324 0.0452
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0095 0.0883 0.087
Echinococcus granulosus intestinal type alkaline phosphatase 1 0.0335 0.3705 0.3696
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.0045 0.0292 0.0346
Echinococcus granulosus nuclear receptor nhr 48 0.0045 0.0295 0.0281
Loa Loa (eye worm) CXXC zinc finger family protein 0.0064 0.0515 0.0719
Brugia malayi Steroid receptor seven-up type 2 0.0095 0.0883 0.1176
Echinococcus granulosus tumor protein p63 0.0335 0.3695 0.3686
Brugia malayi photoreceptor-specific nuclear receptor 0.0095 0.0883 0.1176
Loa Loa (eye worm) hypothetical protein 0.0045 0.0295 0.0411
Echinococcus multilocularis cpg binding protein 0.0069 0.0583 0.0569
Loa Loa (eye worm) hypothetical protein 0.005 0.0358 0.0499
Schistosoma mansoni nuclear hormone receptor 0.0045 0.0295 0.0257
Brugia malayi orphan nuclear receptor NR2E1 0.0045 0.0295 0.0349
Plasmodium vivax mitochondrial import inner membrane translocase subunit TIM10, putative 0.0053 0.0385 0.8178
Loa Loa (eye worm) hypothetical protein 0.0051 0.0369 0.0515
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.005 0.0358 0.0344
Loa Loa (eye worm) hypothetical protein 0.0024 0.0046 0.0064
Schistosoma mansoni steroid hormone receptor ad4bp 0.0095 0.0883 0.0847
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0095 0.0883 0.1233
Loa Loa (eye worm) hypothetical protein 0.0045 0.0295 0.0411
Brugia malayi Bromodomain containing protein 0.0087 0.0792 0.1048
Schistosoma mansoni alkaline phosphatase 0.0335 0.3705 0.368
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0034 0.0167 0.2984
Trichomonas vaginalis chromobox protein, putative 0.0078 0.0679 0.1095
Trichomonas vaginalis glucosylceramidase, putative 0.0356 0.3945 0.6427
Schistosoma mansoni hypothetical protein 0.0045 0.0292 0.0255
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.0045 0.0292 0.0346
Toxoplasma gondii PHD-finger domain-containing protein 0.0059 0.0462 0.279
Schistosoma mansoni hypothetical protein 0.0115 0.1118 0.1083
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0324 0.0286
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0095 0.0883 0.1233
Brugia malayi nuclear hormone receptor 0.0045 0.0295 0.0349
Schistosoma mansoni glutaminase 0.0282 0.3077 0.305
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0073 0.0621 1
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0279 0.0241
Loa Loa (eye worm) nuclear receptor NHR-67 0.0045 0.0295 0.0411
Brugia malayi RNA recognition motif domain containing protein 0.0127 0.1257 0.1702
Loa Loa (eye worm) hypothetical protein 0.0053 0.0389 0.0543
Schistosoma mansoni alkaline phosphatase 0.0335 0.3705 0.368
Brugia malayi Bromodomain containing protein 0.0043 0.027 0.0314
Brugia malayi Nuclear hormone receptor-like 1 0.005 0.0358 0.0438
Brugia malayi nuclear hormone receptor 0.0095 0.0883 0.1176
Trichomonas vaginalis glucosylceramidase, putative 0.0375 0.417 0.6794
Brugia malayi Thioredoxin reductase 0.0049 0.0341 0.0415
Echinococcus multilocularis isocitrate dehydrogenase 0.0034 0.0167 0.0153
Loa Loa (eye worm) glutaminase 0.0282 0.3077 0.4296
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0045 0.0295 0.0281
Schistosoma mansoni hypothetical protein 0.0115 0.1118 0.1083
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0193 0.2039 0.2028
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0324 0.031
Plasmodium vivax hypothetical protein, conserved 0.0059 0.0462 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0095 0.0883 0.087
Schistosoma mansoni chromobox protein 0.0078 0.0679 0.0643
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0095 0.0883 0.1176
Schistosoma mansoni chromobox protein 0.0078 0.0679 0.0643
Trichomonas vaginalis glucosylceramidase, putative 0.0542 0.6133 1
Treponema pallidum fructose-bisphosphate aldolase 0.0325 0.3588 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0363 0.4032 0.5629
Loa Loa (eye worm) MH2 domain-containing protein 0.0626 0.7117 0.9937
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0166 0.0128
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0073 0.0621 1
Echinococcus multilocularis mothers against decapentaplegic 5 0.0043 0.027 0.0256
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0045 0.0295 0.0281
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.0318 0.0213
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.005 0.0358 0.0499
Trichomonas vaginalis glutaminase, putative 0.0282 0.3077 0.501
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0095 0.0883 0.1233
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0095 0.0883 0.1176
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0029 0.0106 0.0068

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.3225 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of mutant isocitrate dehydrogenase 1 (IDH1): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

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

No literature references available for this target.

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