Detailed information for compound 1833449

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 464.552 | Formula: C21H22F2N4O2S2
  • H donors: 2 H acceptors: 4 LogP: 2.66 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCN(C(=S)SCC(c1ccc(cc1F)F)(Cn1cncn1)O)Cc1ccccc1
  • InChi: 1S/C21H22F2N4O2S2/c22-17-6-7-18(19(23)10-17)21(29,12-27-15-24-14-25-27)13-31-20(30)26(8-9-28)11-16-4-2-1-3-5-16/h1-7,10,14-15,28-29H,8-9,11-13H2
  • InChiKey: HWJRJAQIJWEKHW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei heat shock protein 90, putative 0.0038 0.0316 0.2782
Echinococcus granulosus intermediate filament protein 0.0032 0.0247 0.0493
Loa Loa (eye worm) endoplasmin 0.0038 0.0316 0.276
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0037 0.0143
Brugia malayi nuclear hormone receptor 0.0012 0.0037 0.0173
Echinococcus multilocularis cpg binding protein 0.0036 0.0289 0.0289
Brugia malayi CXXC zinc finger family protein 0.0034 0.0269 0.2341
Plasmodium falciparum glutathione reductase 0.0019 0.0115 0.028
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0022 0.0044
Loa Loa (eye worm) hypothetical protein 0.0023 0.0157 0.1266
Loa Loa (eye worm) CXXC zinc finger family protein 0.0034 0.0269 0.2318
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.012 0.0286
Loa Loa (eye worm) hypothetical protein 0.0012 0.0037 0.0143
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.012 0.0286
Leishmania major heat shock protein 83-1 0.0038 0.0316 0.2364
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0138 0.1379 0.2757
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0037 0.0074
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.002 0.012 0.0918
Trichomonas vaginalis CAMK family protein kinase 0.0111 0.1086 0.3026
Brugia malayi heat shock protein 90 0.0038 0.0316 0.2782
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0115 0.0904
Giardia lamblia Kinase, PLK 0.0111 0.1086 0.283
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.001 0.0019 0.0037
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0014 0.0061 0.0397
Trypanosoma brucei heat shock protein, putative 0.0038 0.0316 0.2782
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.012 0.0286
Giardia lamblia Heat shock protein HSP 90-alpha 0.003 0.0233 0.0344
Echinococcus granulosus heat shock protein 75 kDa mitochondrial 0.0016 0.0077 0.0154
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.012 0.0286
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.001 0.0019 0.0037
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.012 0.0286
Onchocerca volvulus 0.0023 0.0157 0.1139
Leishmania major heat shock protein 83-1 0.0038 0.0316 0.2364
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0019 0.0115 0.5
Leishmania major cathepsin L-like protease 0.002 0.012 0.0422
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0054 0.048 0.0961
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0037 0.0173
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0037 0.0074
Mycobacterium ulcerans heat shock protein 90 0.003 0.0233 0.0353
Schistosoma mansoni cathepsin F (C01 family) 0.0013 0.0051 0.0101
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0037 0.0037
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0019 0.0115 0.0747
Echinococcus multilocularis transcription factor Dp 1 0.0045 0.0387 0.0387
Onchocerca volvulus Cathepsin F homolog 0.002 0.012 0.0787
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic 0.0335 0.3461 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.012 0.0286
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0091 0.0678
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0019 0.0115 0.028
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0037 0.0037
Echinococcus multilocularis heat shock protein 0.0038 0.0316 0.0316
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.012 0.0286
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0343 0.3548 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.012 0.0286
Echinococcus multilocularis dnaJ subfamily B 0.048 0.5 0.5
Echinococcus granulosus heat shock protein 90 0.0038 0.0316 0.0631
Plasmodium vivax vivapain-2 0.002 0.012 0.0293
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0168 0.1688 0.4699
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0054 0.048 0.4307
Brugia malayi Endoplasmin precursor 0.0038 0.0316 0.2782
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0037 0.0037
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0037 0.0143
Brugia malayi Cathepsin L-like precursor 0.002 0.012 0.0946
Echinococcus granulosus endoplasmin 0.003 0.0233 0.0467
Schistosoma mansoni heat shock protein 0.0038 0.0316 0.0631
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0042 0.0359 0.0359
Schistosoma mansoni hypothetical protein 0.0042 0.0359 0.0718
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0037 0.0173
Onchocerca volvulus Serine\/threonine kinase homolog 0.0111 0.1086 1
Schistosoma mansoni heat shock protein 0.0038 0.0316 0.0631
Schistosoma mansoni endoplasmin 0.0038 0.0316 0.0631
Onchocerca volvulus Heat shock protein 75 kDa, mitochondrial homolog 0.0016 0.0077 0.0381
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.001 0.0019 0.0037
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0127 0.1253 0.3401
Trypanosoma brucei heat shock protein, putative 0.0038 0.0316 0.2782
Brugia malayi Intermediate filament tail domain containing protein 0.0032 0.0247 0.2137
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.002 0.012 0.0286
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0015 0.0073 0.0146
Echinococcus multilocularis lipoxygenase domain containing protein 0.0023 0.0157 0.0157
Brugia malayi Cathepsin L-like precursor 0.002 0.012 0.0946
Trichomonas vaginalis endoplasmin, putative 0.0023 0.0159 0.0399
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0037 0.0173
Loa Loa (eye worm) hypothetical protein 0.0012 0.0037 0.0143
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0343 0.3548 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0054 0.048 0.4324
Trypanosoma brucei Heat shock protein 83, putative 0.0038 0.0316 0.2782
Schistosoma mansoni cpg binding protein 0.0036 0.0289 0.0578
Entamoeba histolytica heat shock protein 90, putative 0.0038 0.0316 0.0842
Trypanosoma brucei heat shock protein, putative 0.0038 0.0316 0.2782
Plasmodium falciparum heat shock protein 90, putative 0.0016 0.0077 0.017
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0037 0.0173
Echinococcus multilocularis cathepsin L 0.001 0.0019 0.0019
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0037 0.0074
Entamoeba histolytica hypothetical protein 0.0042 0.0359 0.0964
Trypanosoma cruzi heat shock protein 90, putative 0.0038 0.0316 0.2782
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0111 0.1086 1
Trypanosoma cruzi trypanothione reductase, putative 0.0019 0.0115 0.0904
Trichomonas vaginalis CAMK family protein kinase 0.0111 0.1086 0.3026
Entamoeba histolytica 90 kDa heat shock protein, putative 0.0016 0.0077 0.0165
Loa Loa (eye worm) hypothetical protein 0.0013 0.0051 0.0271
Loa Loa (eye worm) hypothetical protein 0.0012 0.0037 0.0143
Loa Loa (eye worm) hypothetical protein 0.0015 0.0067 0.0425
Schistosoma mansoni cpg binding protein 0.0036 0.0289 0.0578
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0037 0.0037
Giardia lamblia Fructose-bisphosphate aldolase 0.0343 0.3548 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.012 0.0286
Leishmania major heat shock protein 83-1 0.0038 0.0316 0.2364
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0115 0.0904
Mycobacterium leprae PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC 0.0335 0.3461 1
Plasmodium falciparum glutathione reductase 0.0055 0.05 0.1397
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.012 0.0286
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0037 0.0074
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0127 0.1253 0.3401
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0127 0.1253 0.3401
Echinococcus multilocularis thioredoxin glutathione reductase 0.0055 0.05 0.05
Schistosoma mansoni hypothetical protein 0.0023 0.0157 0.0313
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0111 0.1086 0.1086
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0037 0.0074
Schistosoma mansoni loxhd1 0.0023 0.0157 0.0313
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0075 0.0705 0.6427
Echinococcus multilocularis endoplasmin 0.003 0.0233 0.0233
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.048 0.0961
Loa Loa (eye worm) hypothetical protein 0.0012 0.0037 0.0143
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0037 0.0037
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0019 0.0115 0.0378
Trypanosoma cruzi cysteine peptidase, putative 0.002 0.012 0.0946
Schistosoma mansoni cpg binding protein 0.0034 0.0269 0.0537
Brugia malayi Cathepsin L-like precursor 0.002 0.012 0.0946
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0037 0.0074
Echinococcus granulosus dnaJ subfamily B 0.048 0.5 1
Brugia malayi Thioredoxin reductase 0.0055 0.05 0.4504
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0127 0.1253 0.3401
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0077 0.0733 0.6676
Echinococcus granulosus tumor protein p63 0.0396 0.4115 0.823
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0075 0.0705 0.6427
Trypanosoma cruzi major cysteine proteinase, putative 0.0059 0.0535 0.4837
Loa Loa (eye worm) thioredoxin reductase 0.0055 0.05 0.4487
Echinococcus multilocularis cathepsin l cysteine peptidase 0.002 0.012 0.012
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0055 0.05 0.1149
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0054 0.048 0.0961
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0071 0.0669 0.1338
Echinococcus multilocularis cysteine protease 0.002 0.012 0.012
Loa Loa (eye worm) glutathione reductase 0.0055 0.05 0.4487
Toxoplasma gondii NADPH-glutathione reductase 0.0019 0.0115 0.0747
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0022 0.0022
Trypanosoma cruzi heat shock protein 90, putative 0.003 0.0233 0.2011
Trichomonas vaginalis CAMK family protein kinase 0.0111 0.1086 0.3026
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.002 0.012 0.0286
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0037 0.0173
Echinococcus granulosus cathepsin L cysteine proteinase 0.002 0.012 0.0239
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0037 0.0074
Loa Loa (eye worm) heat shock protein 90 0.0038 0.0316 0.276
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0111 0.1086 0.2173
Leishmania major heat shock protein 83-1 0.0038 0.0316 0.2364
Schistosoma mansoni lipoxygenase 0.0138 0.1379 0.2757
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0037 0.0074
Leishmania major heat shock protein 83-1 0.0038 0.0316 0.2364
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0037 0.0173
Schistosoma mansoni transcription factor LCR-F1 0.0042 0.0359 0.0718
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.003 0.0233 1
Giardia lamblia Heat shock protein HSP 90-alpha 0.0038 0.0316 0.0584
Brugia malayi hypothetical protein 0.0042 0.0359 0.3187
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0032 0.0247 0.2113
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0019 0.0115 0.0378
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0019 0.0115 0.0378
Loa Loa (eye worm) ctsf protein 0.002 0.012 0.0918
Trypanosoma cruzi cysteine peptidase, putative 0.0075 0.0705 0.6427
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0168 0.1688 0.4699
Onchocerca volvulus 0.002 0.012 0.0787
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0019 0.0115 0.0904
Onchocerca volvulus 0.0032 0.0247 0.1999
Loa Loa (eye worm) hypothetical protein 0.0058 0.0527 0.4741
Brugia malayi Cathepsin L-like cysteine proteinase 0.0013 0.0051 0.0301
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0037 0.0143
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0019 0.0115 0.0904
Plasmodium falciparum cysteine proteinase falcipain 2a 0.002 0.012 0.0293
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein 0.0335 0.3461 1
Plasmodium vivax heat shock protein 90, putative 0.0016 0.0077 0.017
Schistosoma mansoni rab6-interacting 0.0023 0.0157 0.0313
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0054 0.048 0.048
Leishmania major heat shock protein 83-1 0.0038 0.0316 0.2364
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0019 0.0115 0.023
Loa Loa (eye worm) hypothetical protein 0.002 0.012 0.0918
Toxoplasma gondii heat shock protein 90, putative 0.0038 0.0316 0.4669
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0075 0.0705 0.6427
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0075 0.0705 0.6427
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0037 0.0074
Mycobacterium tuberculosis Probable dehydrogenase 0.0127 0.1253 0.3401
Toxoplasma gondii thioredoxin reductase 0.0055 0.05 0.8266
Schistosoma mansoni serine/threonine protein kinase 0.0111 0.1086 0.2173
Leishmania major trypanothione reductase 0.0055 0.05 0.4186
Trypanosoma brucei heat shock protein 90, putative 0.0038 0.0316 0.2782
Loa Loa (eye worm) fibroinase 0.002 0.012 0.0918
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0037 0.0074
Onchocerca volvulus Cathepsin L homolog 0.002 0.012 0.0787
Plasmodium falciparum thioredoxin reductase 0.0019 0.0115 0.028
Echinococcus granulosus lipoxygenase domain containing protein 0.0023 0.0157 0.0313
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0091 0.065
Trypanosoma cruzi polo-like protein kinase, putative 0.0111 0.1086 1
Brugia malayi Cathepsin L-like precursor 0.002 0.012 0.0946
Leishmania major heat shock protein 83-1 0.0038 0.0316 0.2364
Onchocerca volvulus 0.0032 0.0247 0.1999
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.012 0.0286
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0037 0.0173
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0077 0.0733 0.2023
Trichomonas vaginalis CAMK family protein kinase 0.0055 0.0493 0.1344
Brugia malayi steroid hormone receptor 0.0012 0.0037 0.0173
Leishmania major cathepsin L-like protease 0.002 0.012 0.0422
Plasmodium falciparum LCCL domain-containing protein 0.0023 0.0157 0.0401
Loa Loa (eye worm) hypothetical protein 0.0015 0.0067 0.0425
Trichomonas vaginalis mercuric reductase, putative 0.0019 0.0115 0.0274
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0343 0.3548 1
Brugia malayi Doublecortin family protein 0.0023 0.0157 0.1292
Trypanosoma cruzi heat shock protein, putative 0.0016 0.0077 0.0547
Schistosoma mansoni hypothetical protein 0.0199 0.2019 0.4039
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0019 0.0115 0.0904
Plasmodium vivax heat shock protein 86, putative 0.0038 0.0316 0.0863
Echinococcus granulosus geminin 0.0199 0.2019 0.4039
Entamoeba histolytica hypothetical protein 0.0042 0.0359 0.0964
Trypanosoma cruzi heat shock protein 85, putative 0.0038 0.0316 0.2782
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0019 0.0115 0.028
Echinococcus granulosus thioredoxin glutathione reductase 0.0055 0.05 0.0999
Loa Loa (eye worm) hypothetical protein 0.0012 0.0037 0.0143
Treponema pallidum fructose-bisphosphate aldolase 0.0343 0.3548 1
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0037 0.0173
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0168 0.1688 0.4505
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0077 0.0733 0.0733
Onchocerca volvulus Cathepsin L homolog 0.002 0.012 0.0787
Mycobacterium tuberculosis Probable reductase 0.0127 0.1253 0.3401
Treponema pallidum heat shock protein 90 0.003 0.0233 0.0344
Trypanosoma brucei trypanothione reductase 0.0055 0.05 0.4504
Echinococcus granulosus cathepsin l1 0.0013 0.0051 0.0101
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0019 0.0115 0.028
Leishmania major cathepsin L-like protease 0.0075 0.0705 0.6221
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0037 0.0037
Echinococcus multilocularis heat shock protein 90 0.0038 0.0316 0.0316
Brugia malayi Cathepsin L-like precursor 0.0013 0.0051 0.0301
Schistosoma mansoni lamin 0.0032 0.0247 0.0493
Trypanosoma brucei heat shock protein, putative 0.0038 0.0316 0.2782
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0037 0.0173
Trichomonas vaginalis heat shock protein, putative 0.0038 0.0316 0.0842
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0037 0.0037
Onchocerca volvulus 0.002 0.012 0.0787
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0343 0.3548 1
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0019 0.0115 0.0904
Leishmania major heat shock protein 83-1 0.0038 0.0316 0.2364
Loa Loa (eye worm) hypothetical protein 0.0013 0.0051 0.0271
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0019 0.0115 0.028
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0037 0.0074
Trypanosoma cruzi cysteine peptidase, putative 0.0075 0.0705 0.6427
Leishmania major cathepsin L-like protease 0.0075 0.0705 0.6221
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.012 0.0286
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0037 0.0173
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0075 0.0705 0.6427
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0115 0.0904
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative 0.0335 0.3461 1
Trypanosoma brucei heat shock protein, putative 0.0038 0.0316 0.2782
Leishmania major cathepsin L-like protease 0.002 0.012 0.0422
Schistosoma mansoni rab6-interacting 0.0023 0.0157 0.0313
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0075 0.0705 0.6427
Echinococcus multilocularis geminin 0.0199 0.2019 0.2019
Echinococcus multilocularis lamin dm0 0.0032 0.0247 0.0247
Brugia malayi glutathione reductase 0.0055 0.05 0.4504
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0013 0.0051 0.0091
Giardia lamblia Grp94/Hsp90 0.003 0.0233 0.0344
Plasmodium vivax heat shock protein, putative 0.0016 0.0077 0.017
Plasmodium vivax vivapain-2 0.002 0.012 0.0293
Plasmodium vivax endoplasmin, putative 0.0038 0.0316 0.0863
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0077 0.0733 0.6686
Echinococcus granulosus cathepsin l cysteine peptidase 0.002 0.012 0.0239
Brugia malayi Papain family cysteine protease containing protein 0.002 0.012 0.0946
Schistosoma mansoni endoplasmin 0.0038 0.0316 0.0631
Trypanosoma cruzi heat shock protein 90, putative 0.0023 0.015 0.123
Leishmania major heat shock protein 83-1 0.0038 0.0316 0.2364
Leishmania major cysteine peptidase A (CPA) 0.002 0.012 0.0422
Schistosoma mansoni lipoxygenase 0.0097 0.0937 0.1874
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0127 0.1253 0.3159
Echinococcus granulosus lipoxygenase domain containing protein 0.0023 0.0157 0.0313
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0115 0.0904
Trypanosoma cruzi heat shock protein 85, putative 0.0038 0.0316 0.2782
Echinococcus granulosus heat shock protein 90 0.003 0.0233 0.0467
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.048 0.0961
Plasmodium falciparum cysteine proteinase falcipain 3 0.002 0.012 0.0293
Entamoeba histolytica heat shock protein 90, putative 0.0038 0.0316 0.0842
Trypanosoma cruzi Heat shock protein 83, putative 0.0038 0.0316 0.2782
Onchocerca volvulus 0.0023 0.0157 0.1139
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0037 0.0074
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.048 0.0961
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0037 0.0074
Trypanosoma cruzi polo-like protein kinase, putative 0.0111 0.1086 1
Loa Loa (eye worm) cysteine protease 0.002 0.012 0.0918
Echinococcus multilocularis cysteine protease 0.002 0.012 0.012
Echinococcus multilocularis cathepsin L cysteine protease 0.002 0.012 0.012
Toxoplasma gondii histone lysine methyltransferase SET1 0.0064 0.0588 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0241 0.2055
Echinococcus multilocularis RUN 0.0023 0.0157 0.0157
Echinococcus granulosus lamin dm0 0.0032 0.0247 0.0493
Treponema pallidum hypothetical protein 0.0335 0.3461 0.9749
Loa Loa (eye worm) papain family cysteine protease containing protein 0.002 0.012 0.0918
Echinococcus multilocularis tumor protein p63 0.0396 0.4115 0.4115
Entamoeba histolytica serine/threonine protein kinase, putative 0.0111 0.1086 0.3026
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0343 0.3548 1
Schistosoma mansoni lamin 0.0032 0.0247 0.0493
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0037 0.0143
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.012 0.0286
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0068 0.0636 0.5783
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0013 0.0051 0.0091
Echinococcus granulosus heat shock protein 0.0038 0.0316 0.0631
Onchocerca volvulus 0.0058 0.0527 0.4665
Brugia malayi serine/threonine-protein kinase plk-2 0.0111 0.1086 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0019 0.0115 0.0904
Schistosoma mansoni heat shock protein 0.0016 0.0077 0.0154
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0343 0.3548 1
Echinococcus granulosus cathepsin l1 0.002 0.012 0.0239
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0077 0.0733 0.1465
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.003 0.0233 0.1549
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0343 0.3548 1
Echinococcus granulosus cathepsin L 0.001 0.0019 0.0037
Leishmania major heat shock protein 83-1 0.0038 0.0316 0.2364
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0019 0.0115 0.0904
Plasmodium vivax multidomain scavenger receptor, putative 0.0023 0.0157 0.0401
Trypanosoma cruzi trypanothione reductase, putative 0.0055 0.05 0.4504
Trichomonas vaginalis CAMK family protein kinase 0.0111 0.1086 0.3026
Onchocerca volvulus 0.002 0.012 0.0787
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.012 0.0286
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0075 0.0705 0.6427
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0075 0.0705 0.6427
Schistosoma mansoni kinase 0.0056 0.0509 0.1017
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0037 0.0074
Onchocerca volvulus 0.002 0.012 0.0787
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0037 0.0074
Toxoplasma gondii heat shock protein HSP90 0.0038 0.0316 0.4669
Plasmodium falciparum thioredoxin reductase 0.0055 0.05 0.1397
Echinococcus granulosus RUN 0.0023 0.0157 0.0313
Plasmodium vivax thioredoxin reductase, putative 0.0055 0.05 0.1397
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.012 0.0286
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0037 0.0173
Leishmania major cathepsin L-like protease 0.002 0.012 0.0422
Plasmodium falciparum heat shock protein 90, putative 0.0016 0.0077 0.017
Brugia malayi Cathepsin L-like precursor 0.0013 0.0051 0.0301
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0077 0.0733 0.6494
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0037 0.0143
Brugia malayi hypothetical protein 0.0023 0.0157 0.1292
Trichomonas vaginalis heat shock protein, putative 0.0023 0.0159 0.0399
Loa Loa (eye worm) hypothetical protein 0.0013 0.0051 0.0271
Schistosoma mansoni cathepsin F (C01 family) 0.002 0.012 0.0239
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0015 0.0073 0.0073
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0343 0.3548 1
Loa Loa (eye worm) doublecortin family protein 0.0023 0.0157 0.1266
Entamoeba histolytica cysteine proteinase, putative 0.0013 0.0051 0.0091
Trypanosoma cruzi cruzipain precursor, putative 0.0075 0.0705 0.6427
Echinococcus multilocularis cathepsin L cysteine protease 0.002 0.012 0.012
Trichomonas vaginalis heat shock protein, putative 0.0016 0.0077 0.0165
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0115 0.0904
Entamoeba histolytica cysteine proteinase, putative 0.002 0.012 0.0286
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0077 0.0733 0.6686
Trichomonas vaginalis glutathione reductase, putative 0.0019 0.0115 0.0274
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0075 0.0705 0.6427
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.003 0.0233 0.0353
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0037 0.0173
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0077 0.0733 0.6686
Entamoeba histolytica hypothetical protein 0.0042 0.0359 0.0964
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0037 0.0143
Trichomonas vaginalis heat shock protein, putative 0.003 0.0233 0.0608
Schistosoma mansoni intermediate filament proteins 0.0032 0.0247 0.0493
Leishmania major heat shock protein 83-1 0.0038 0.0316 0.2364
Onchocerca volvulus 0.002 0.012 0.0787
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0141 0.1403 0.3848
Mycobacterium tuberculosis Probable oxidoreductase 0.0141 0.1403 0.3848
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0019 0.0115 0.0904
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0343 0.3548 1
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0037 0.0173
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.002 0.0017
Trypanosoma cruzi heat shock protein 85, putative 0.0038 0.0316 0.2782
Entamoeba histolytica hypothetical protein 0.0042 0.0359 0.0964
Echinococcus granulosus Polycystic kidney disease protein 0.0023 0.0157 0.0313
Leishmania major cathepsin L-like protease 0.002 0.012 0.0422
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0037 0.0173
Loa Loa (eye worm) hypothetical protein 0.0012 0.0037 0.0143
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.012 0.0286
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.012 0.0286
Trypanosoma brucei polo-like protein kinase 0.0111 0.1086 1
Leishmania major heat shock protein 83-1 0.0038 0.0316 0.2364
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0019 0.0115 0.023
Schistosoma mansoni coup transcription factor 0.0012 0.0037 0.0074
Onchocerca volvulus 0.002 0.012 0.0787
Echinococcus multilocularis lipoxygenase domain containing protein 0.0023 0.0157 0.0157
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.012 0.0286
Brugia malayi Cathepsin L-like precursor 0.002 0.012 0.0946
Leishmania major heat shock protein 83-1 0.0038 0.0316 0.2364
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0075 0.0705 0.6427
Schistosoma mansoni hypothetical protein 0.0199 0.2019 0.4039
Plasmodium falciparum endoplasmin, putative 0.0023 0.0159 0.0409
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0054 0.048 0.048
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0037 0.0037
Echinococcus multilocularis musashi 0.0032 0.0247 0.0247
Echinococcus multilocularis Polycystic kidney disease protein 0.0023 0.0157 0.0157
Onchocerca volvulus 0.0034 0.0269 0.2207
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0019 0.0115 0.0115
Trypanosoma brucei heat shock protein, putative 0.0038 0.0316 0.2782
Schistosoma mansoni cathepsin F (C01 family) 0.002 0.012 0.0239
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0037 0.0173
Plasmodium falciparum cysteine proteinase falcipain 2b 0.002 0.012 0.0293
Trypanosoma brucei heat shock protein, putative 0.0038 0.0316 0.2782
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0037 0.0173
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0138 0.1379 0.1379
Echinococcus granulosus transcription factor Dp 1 0.0045 0.0387 0.0773
Schistosoma mansoni cellular tumor antigen P53 0.0058 0.0527 0.1053
Trypanosoma brucei heat shock protein, putative 0.0038 0.0316 0.2782
Loa Loa (eye worm) intermediate filament protein 0.0032 0.0247 0.2113
Leishmania major cathepsin L-like protease 0.0075 0.0705 0.6221
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0111 0.1086 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0037 0.0074
Brugia malayi hypothetical protein 0.0023 0.0157 0.1292
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0037 0.0074
Onchocerca volvulus 0.0013 0.0051 0.0131
Brugia malayi nuclear receptor NHR-88 0.0012 0.0037 0.0173
Loa Loa (eye worm) heat shock protein 75 0.0016 0.0077 0.0518
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0037 0.0074
Leishmania major heat shock protein 83-1 0.0038 0.0316 0.2364
Leishmania major heat shock protein 83-1 0.0038 0.0316 0.2364
Toxoplasma gondii cathepsin CPL 0.002 0.012 0.0834
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0141 0.1403 0.3848
Plasmodium vivax glutathione reductase, putative 0.0055 0.05 0.1397
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0075 0.0705 0.6427
Echinococcus multilocularis cathepsin l cysteine peptidase 0.002 0.012 0.012
Schistosoma mansoni polycystin 1-related 0.0023 0.0157 0.0313
Echinococcus multilocularis lamin 0.0032 0.0247 0.0247
Trichomonas vaginalis CAMK family protein kinase 0.0111 0.1086 0.3026
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0077 0.0733 0.1465
Trichomonas vaginalis CAMK family protein kinase 0.0111 0.1086 0.3026
Leishmania major heat shock protein 83-1 0.0038 0.0316 0.2364
Echinococcus multilocularis heat shock protein 75 kDa, mitochondrial 0.0016 0.0077 0.0077
Trichomonas vaginalis heat shock protein, putative 0.003 0.0233 0.0608
Leishmania major heat shock protein 83-1 0.0038 0.0316 0.2364
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0014 0.0061 0.0397
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0037 0.0143
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.012 0.0286
Onchocerca volvulus 0.002 0.012 0.0787
Loa Loa (eye worm) hypothetical protein 0.0015 0.0073 0.0483
Loa Loa (eye worm) hypothetical protein 0.0032 0.0247 0.2113
Echinococcus granulosus cysteine protease 0.001 0.0019 0.0037
Entamoeba histolytica cysteine proteinase, putative 0.002 0.012 0.0286
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0343 0.3548 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0037 0.0037
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0042 0.0359 0.0718
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.003 0.0233 0.0467
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0115 0.0904
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0037 0.0143
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0037 0.0074
Trichomonas vaginalis CAMK family protein kinase 0.0111 0.1086 0.3026
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0037 0.0074
Brugia malayi Hsp90 protein 0.0016 0.0077 0.0547
Brugia malayi Cathepsin L-like precursor 0.002 0.012 0.0946
Brugia malayi intermediate filament protein 0.0032 0.0247 0.2137
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase 0.0335 0.3461 1
Echinococcus granulosus lamin 0.0032 0.0247 0.0493
Entamoeba histolytica cysteine protease, putative 0.002 0.012 0.0286
Echinococcus granulosus cpg binding protein 0.0036 0.0289 0.0578
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.012 0.0286
Brugia malayi ecdysteroid receptor 0.0012 0.0037 0.0173
Plasmodium falciparum heat shock protein 90 0.0038 0.0316 0.0863
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.012 0.0286
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.012 0.0286
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.012 0.0286
Trypanosoma cruzi heat shock protein 85, putative 0.003 0.0233 0.2011
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0141 0.1403 0.3623
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0037 0.0074
Echinococcus granulosus cathepsin L cysteine protease 0.001 0.0019 0.0037
Schistosoma mansoni hypothetical protein 0.048 0.5 1
Brugia malayi cathepsin L-like precursor 0.0013 0.0051 0.0301
Trichomonas vaginalis CAMK family protein kinase 0.0055 0.0493 0.1344
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0077 0.0733 0.6686
Trypanosoma cruzi cysteine peptidase, putative 0.0075 0.0705 0.6427
Loa Loa (eye worm) hypothetical protein 0.0023 0.0157 0.1266
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0019 0.0115 0.0378
Echinococcus multilocularis heat shock protein 90 0.003 0.0233 0.0233
Trypanosoma brucei heat shock protein 84, putative 0.0016 0.0077 0.0547
Loa Loa (eye worm) hypothetical protein 0.0012 0.0037 0.0143
Loa Loa (eye worm) hypothetical protein 0.0012 0.0037 0.0143
Trichomonas vaginalis heat shock protein, putative 0.003 0.0233 0.0608

Activities

Activity type Activity value Assay description Source Reference
MIC80 (functional) = 0.25 ug ml-1 Antifungal activity against Candida albicans SC5314 after 24 hrs by micro-broth dilution method ChEMBL. 24487187
MIC80 (functional) = 2 ug ml-1 Antifungal activity against Cryptococcus neoformans after 72 hrs by micro-broth dilution method ChEMBL. 24487187

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

No literature references available for this target.

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