Detailed information for compound 1196852

Basic information

Technical information
  • TDR Targets ID: 1196852
  • Name: N-(4-methylphenyl)-2-sulfanylpropanamide
  • MW: 195.281 | Formula: C10H13NOS
  • H donors: 1 H acceptors: 1 LogP: 2.18 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(S)C)Nc1ccc(cc1)C
  • InChi: 1S/C10H13NOS/c1-7-3-5-9(6-4-7)11-10(12)8(2)13/h3-6,8,13H,1-2H3,(H,11,12)
  • InChiKey: BZIPYCHSMSIFGZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(4-methylphenyl)-2-sulfanyl-propanamide
  • 2-mercapto-N-(4-methylphenyl)propanamide
  • 2-mercapto-N-(4-methylphenyl)propionamide
  • 16537-30-7
  • NSC93931
  • MLS000736958
  • SMR000528442

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucosidase, beta, acid Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Onchocerca volvulus Glucosylceramidase homolog Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein Get druggable targets OG5_129423 All targets in OG5_129423
Brugia malayi O-Glycosyl hydrolase family 30 protein Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
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
Loa Loa (eye worm) steroid hormone receptor 0.0022 0.0076 0.0059
Loa Loa (eye worm) hypothetical protein 0.0022 0.0076 0.0059
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0162 0.1623 1
Toxoplasma gondii HEAT repeat-containing protein 0.0061 0.0515 0.4233
Chlamydia trachomatis glutamate symporter 0.0257 0.2675 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0331 0.3491 0.6083
Schistosoma mansoni hypothetical protein 0.0072 0.063 0.063
Leishmania major trypanothione reductase 0.0042 0.0305 0.2778
Leishmania major hypothetical protein, conserved 0.0018 0.0034 0.0311
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0022 0.0086 0.0086
Loa Loa (eye worm) hypothetical protein 0.0114 0.1099 0.1514
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.0076 0.0151
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0045 0.0337 0.3063
Trichomonas vaginalis Importin beta-1 subunit, putative 0.005 0.0387 0.0675
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0331 0.3491 0.6083
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0257 0.2675 0.2675
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.0153 0.2973
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0069 0.0596 0.0595
Echinococcus granulosus neutral amino acid transporter A 0.0257 0.2675 0.2675
Brugia malayi beta-lactamase family protein 0.0114 0.1099 0.2186
Echinococcus granulosus sodium:dicarboxylate symporter 0.0257 0.2675 0.2675
Loa Loa (eye worm) beta-lactamase 0.0114 0.1099 0.1514
Loa Loa (eye worm) jmjC domain-containing protein 0.007 0.0614 0.0824
Echinococcus granulosus FTZ F1 alpha 0.0022 0.0076 0.0076
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.2097 0.3654
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0045 0.0337 0.043
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.0544 0.0544
Schistosoma mansoni jumonji/arid domain-containing protein 0.007 0.0614 0.0614
Mycobacterium tuberculosis Probable lipase LipD 0.0114 0.1099 0.1392
Brugia malayi latrophilin 2 splice variant baaae 0.0072 0.063 0.1254
Echinococcus multilocularis microtubule associated protein 2 0.0726 0.7856 0.7855
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0018 0.0034 0.0281
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0064 0.0544 0.4949
Schistosoma mansoni ap endonuclease 0.004 0.0281 0.0281
Treponema pallidum fructose-bisphosphate aldolase 0.0331 0.3491 1
Echinococcus multilocularis snurportin 1 0.0655 0.7066 0.7066
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0069 0.0596 0.0595
Toxoplasma gondii histone lysine methyltransferase SET1 0.0125 0.1217 1
Mycobacterium tuberculosis Probable reductase 0.0097 0.0904 0.1145
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0331 0.3491 0.6083
Loa Loa (eye worm) histone methyltransferase 0.0022 0.0086 0.0074
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0022 0.0076 0.0076
Brugia malayi F/Y-rich N-terminus family protein 0.0022 0.0084 0.0166
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0022 0.0076 0.0076
Echinococcus multilocularis Excitatory amino acid transporter 0.0257 0.2675 0.2675
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0022 0.0076 0.0151
Echinococcus multilocularis neutral amino acid transporter A 0.0257 0.2675 0.2675
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0149 0.1485 0.2955
Giardia lamblia Fructose-bisphosphate aldolase 0.0331 0.3491 1
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0045 0.0337 0.0964
Onchocerca volvulus 0.0114 0.1099 0.1806
Brugia malayi CXXC zinc finger family protein 0.0065 0.0552 0.1098
Schistosoma mansoni hypothetical protein 0.0178 0.1807 0.1807
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0083 0.0757 0.1319
Brugia malayi Thioredoxin reductase 0.0042 0.0305 0.0607
Schistosoma mansoni microtubule-associated protein tau 0.0726 0.7856 0.7855
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0022 0.0076 0.0076
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.3281 0.5717
Plasmodium vivax SET domain protein, putative 0.0069 0.0596 0.542
Mycobacterium tuberculosis Conserved protein 0.0114 0.1099 0.1392
Toxoplasma gondii thioredoxin reductase 0.0042 0.0305 0.2507
Schistosoma mansoni survival motor neuron protein 0.0055 0.0441 0.0441
Schistosoma mansoni cpg binding protein 0.0068 0.0593 0.0592
Brugia malayi ecdysteroid receptor 0.0022 0.0076 0.0151
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0331 0.3491 1
Schistosoma mansoni solute carrier family 1 (glial high affinity glutamate transporter 0.0257 0.2675 0.2675
Trichomonas vaginalis set domain proteins, putative 0.0535 0.5739 1
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.2097 0.3654
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.0205 0.0407
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.0544 0.335
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0331 0.3491 0.6083
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0107 0.1023 0.1296
Echinococcus multilocularis jumonji domain containing 1A 0.0018 0.0034 0.0034
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0162 0.1623 1
Echinococcus multilocularis FTZ F1 alpha 0.0022 0.0076 0.0076
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0019 0.0043 0.0043
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0022 0.0076 0.0076
Echinococcus granulosus importin subunit beta 1 0.0061 0.0515 0.0515
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.0153 0.2973
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.004 0.0281 0.173
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.3281 0.5717
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0022 0.0076 0.0076
Echinococcus granulosus JmjC domain containing protein 4 0.0018 0.0034 0.0034
Brugia malayi exodeoxyribonuclease III family protein 0.004 0.0281 0.0559
Leishmania major hypothetical protein, conserved 0.0029 0.0153 0.1394
Treponema pallidum glutamate transporter 0.0114 0.1096 0.3138
Loa Loa (eye worm) hypothetical protein 0.0105 0.0997 0.1369
Trichomonas vaginalis importin beta-1, putative 0.005 0.0387 0.0675
Echinococcus multilocularis muscleblind protein 0.0151 0.1502 0.1501
Trichomonas vaginalis esterase, putative 0.0114 0.1099 0.1914
Brugia malayi Latrophilin receptor protein 2 0.0033 0.0205 0.0407
Echinococcus multilocularis neuropeptide receptor A26 0.0524 0.5618 0.5617
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0114 0.1096 0.1095
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0083 0.0757 0.2168
Brugia malayi nuclear receptor NHR-88 0.0022 0.0076 0.0151
Schistosoma mansoni retinoic acid receptor RXR 0.0022 0.0076 0.0076
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0114 0.1099 0.1392
Brugia malayi jmjC domain containing protein 0.0018 0.0034 0.0068
Echinococcus granulosus GPCR family 2 0.0033 0.0205 0.0205
Echinococcus granulosus lysine specific demethylase 6a 0.0018 0.0034 0.0034
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0655 0.7066 1
Leishmania major importin beta-1 subunit, putative 0.005 0.0387 0.3525
Loa Loa (eye worm) excitatory amino acid transporter 0.0257 0.2675 0.3755
Schistosoma mansoni phd/f-box containing protein 0.0018 0.0034 0.0034
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.2097 0.3654
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.2097 0.3654
Echinococcus multilocularis dnaJ subfamily B 0.0921 1 1
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0018 0.0034 0.0311
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0022 0.0076 0.0076
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0162 0.1623 0.2056
Brugia malayi Steroid receptor seven-up type 2 0.0022 0.0076 0.0151
Loa Loa (eye worm) hypothetical protein 0.0151 0.1502 0.2087
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.0076 0.0151
Loa Loa (eye worm) hypothetical protein 0.0114 0.1099 0.1514
Loa Loa (eye worm) thioredoxin reductase 0.0042 0.0305 0.0385
Mycobacterium leprae conserved hypothetical protein 0.0114 0.1099 0.2712
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0097 0.0904 0.1145
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0033 0.0205 0.0205
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0022 0.0076 0.0151
Schistosoma mansoni ran 0.0045 0.0337 0.0336
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0069 0.0596 0.0595
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.004 0.0281 0.0804
Plasmodium falciparum JmjC domain-containing protein, putative 0.0018 0.0034 0.0663
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0069 0.0596 0.0595
Echinococcus granulosus neuropeptide receptor A26 0.0524 0.5618 0.5617
Loa Loa (eye worm) hypothetical protein 0.0114 0.1099 0.1514
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0331 0.3491 0.6083
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0149 0.1485 0.1485
Brugia malayi steroid hormone receptor 0.0022 0.0076 0.0151
Brugia malayi nuclear hormone receptor 0.0022 0.0076 0.0151
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.2219 0.3866
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.0153 0.1394
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0331 0.3491 0.6083
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.004 0.0281 0.0356
Entamoeba histolytica Ran family GTPase 0.0045 0.0337 0.0174
Brugia malayi Pre-SET motif family protein 0.047 0.5024 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0205 0.0242
Entamoeba histolytica hypothetical protein 0.005 0.0387 0.0331
Trichomonas vaginalis D-aminoacylase, putative 0.0114 0.1099 0.1914
Toxoplasma gondii ABC1 family protein 0.0114 0.1099 0.9025
Plasmodium vivax importin-beta 2, putative 0.0061 0.0515 0.469
Toxoplasma gondii LsmAD domain-containing protein 0.0029 0.0153 0.1258
Brugia malayi Pre-SET motif family protein 0.0069 0.0596 0.1185
Schistosoma mansoni thyroid hormone receptor 0.0022 0.0076 0.0076
Echinococcus granulosus jumonji domain containing 1A 0.0018 0.0034 0.0034
Plasmodium vivax JmjC domain containing protein 0.0018 0.0034 0.0311
Echinococcus multilocularis excitatory amino acid transporter 3 0.0257 0.2675 0.2675
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0022 0.0076 0.0151
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0069 0.0596 0.0595
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.0076 0.0076
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0067 0.0573 0.0573
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0114 0.1099 0.1514
Brugia malayi photoreceptor-specific nuclear receptor 0.0022 0.0076 0.0151
Echinococcus granulosus histone lysine methyltransferase setb 0.0069 0.0596 0.0595
Trichomonas vaginalis conserved hypothetical protein 0.0083 0.0757 0.1319
Toxoplasma gondii exonuclease III APE 0.004 0.0281 0.2307
Echinococcus multilocularis GPCR, family 2 0.0033 0.0205 0.0205
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0149 0.1485 0.1485
Echinococcus multilocularis JmjC domain containing protein 4 0.0018 0.0034 0.0034
Brugia malayi hypothetical protein 0.0029 0.0153 0.0305
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0022 0.0076 0.0076
Loa Loa (eye worm) hypothetical protein 0.0022 0.0076 0.0059
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0083 0.0757 0.0757
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0097 0.0904 0.1145
Echinococcus granulosus ecdysone induced protein 78C 0.0022 0.0076 0.0076
Onchocerca volvulus 0.0069 0.0596 0.0918
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0069 0.0596 0.0595
Chlamydia trachomatis neutral amino acid transporter 0.0114 0.1096 0.4095
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0022 0.0076 0.0151
Onchocerca volvulus 0.0535 0.5739 1
Loa Loa (eye worm) hypothetical protein 0.0151 0.1502 0.2087
Onchocerca volvulus 0.0114 0.1099 0.1806
Mycobacterium tuberculosis Conserved protein 0.0114 0.1099 0.1392
Brugia malayi beta-lactamase family protein 0.0114 0.1099 0.2186
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0021 0.0075 0.0075
Mycobacterium tuberculosis Probable esterase LipL 0.0114 0.1099 0.1392
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.004 0.0281 0.2556
Echinococcus multilocularis neuropeptide s receptor 0.0524 0.5618 0.5617
Brugia malayi Excitatory amino acid transporter 0.0257 0.2675 0.5324
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0067 0.0573 0.0573
Echinococcus granulosus microtubule associated protein 2 0.0726 0.7856 0.7855
Trypanosoma brucei trypanothione reductase 0.0042 0.0305 0.2778
Loa Loa (eye worm) hypothetical protein 0.0022 0.0076 0.0059
Trypanosoma brucei importin beta-1 subunit, putative 0.0061 0.0515 0.469
Echinococcus granulosus snurportin 1 0.0655 0.7066 0.7066
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.2097 0.3654
Echinococcus granulosus muscleblind protein 0.0151 0.1502 0.1501
Mycobacterium ulcerans lipase LipD 0.0114 0.1099 0.677
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0042 0.0305 0.0387
Loa Loa (eye worm) hypothetical protein 0.0268 0.2794 0.3924
Echinococcus multilocularis neutral amino acid transporter A 0.0257 0.2675 0.2675
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0022 0.0076 0.0151
Loa Loa (eye worm) hypothetical protein 0.0022 0.0076 0.0059
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0083 0.0757 0.1319
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0114 0.1096 0.1095
Echinococcus multilocularis thioredoxin glutathione reductase 0.0043 0.0312 0.0311
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0331 0.3491 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0022 0.0086 0.0086
Trichomonas vaginalis D-aminoacylase, putative 0.0114 0.1099 0.1914
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0114 0.1099 0.1098
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0019 0.0043 0.0043
Schistosoma mansoni hypothetical protein 0.0033 0.0205 0.0205
Loa Loa (eye worm) hypothetical protein 0.0022 0.0076 0.0059
Toxoplasma gondii aldehyde dehydrogenase 0.0064 0.0544 0.4466
Schistosoma mansoni thyroid hormone receptor 0.0022 0.0076 0.0076
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0064 0.0544 0.0544
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0065 0.0553 0.0553
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0331 0.3491 0.6083
Echinococcus multilocularis geminin 0.0178 0.1807 0.1807
Plasmodium falciparum thioredoxin reductase 0.0042 0.0305 0.5924
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0022 0.0076 0.0076
Loa Loa (eye worm) hypothetical protein 0.0069 0.0596 0.0798
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0105 0.0997 0.1983
Echinococcus multilocularis thyroid hormone receptor alpha 0.0022 0.0076 0.0076
Echinococcus multilocularis excitatory amino acid transporter 2 0.0257 0.2675 0.2675
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0064 0.0544 0.0689
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0033 0.0205 0.0205
Onchocerca volvulus 0.0065 0.0552 0.0841
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0083 0.0757 0.689
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0022 0.0076 0.0076
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.3281 0.5717
Trypanosoma brucei PAB1-binding protein , putative 0.0029 0.0153 0.1394
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0064 0.0544 0.0544
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0107 0.1023 0.1296
Echinococcus multilocularis ubiquitin specific protease 41 0.0083 0.0757 0.0757
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0083 0.0757 0.0757
Mycobacterium tuberculosis Probable C4-dicarboxylate-transport transmembrane protein DctA 0.0257 0.2675 0.339
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0021 0.0075 0.0075
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0022 0.0076 0.0059
Brugia malayi jmjC domain containing protein 0.0018 0.0034 0.0068
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.2097 0.3654
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0022 0.0076 0.0059
Leishmania major GTP-binding protein, putative 0.0045 0.0337 0.3063
Treponema pallidum exodeoxyribonuclease (exoA) 0.004 0.0281 0.0804
Trypanosoma cruzi importin beta-1 subunit, putative 0.005 0.0387 0.3525
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.3281 0.5717
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0018 0.0034 0.0311
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.004 0.0281 0.2556
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0083 0.0757 0.689
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0019 0.0043 0.0043
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0045 0.0337 0.3063
Schistosoma mansoni hypothetical protein 0.0178 0.1807 0.1807
Schistosoma mansoni hypothetical protein 0.0921 1 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.0205 0.0242
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.2219 0.3866
Echinococcus multilocularis importin subunit beta 1 0.0061 0.0515 0.0515
Brugia malayi beta-lactamase 0.0114 0.1099 0.2186
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0149 0.1485 0.1485
Loa Loa (eye worm) hypothetical protein 0.0029 0.0153 0.0169
Loa Loa (eye worm) hypothetical protein 0.0022 0.0076 0.0059
Brugia malayi glutathione reductase 0.0042 0.0305 0.0607
Echinococcus granulosus neutral amino acid transporter 0.0257 0.2675 0.2675
Echinococcus multilocularis cpg binding protein 0.0068 0.0593 0.0592
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.004 0.0281 0.0281
Trypanosoma brucei importin beta-1 subunit, putative 0.0061 0.0515 0.469
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0107 0.1023 0.1653
Brugia malayi jmjC domain containing protein 0.0067 0.0573 0.1141
Brugia malayi jmjC domain containing protein 0.0018 0.0034 0.0068
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.0076 0.0151
Trichomonas vaginalis ap endonuclease, putative 0.004 0.0281 0.049
Schistosoma mansoni importin beta-1 0.0061 0.0515 0.0515
Schistosoma mansoni hypothetical protein 0.0655 0.7066 0.7066
Plasmodium vivax thioredoxin reductase, putative 0.0042 0.0305 0.2778
Plasmodium vivax glutathione reductase, putative 0.0042 0.0305 0.2778
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0114 0.1099 0.1098
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0083 0.0757 0.0757
Echinococcus multilocularis beta LACTamase domain containing family member 0.0114 0.1099 0.1098
Trypanosoma brucei hypothetical protein, conserved 0.0114 0.1099 1
Treponema pallidum glutamate/aspartate transporter 0.0114 0.1096 0.3138
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.004 0.0281 0.2556
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0114 0.1099 0.1392
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0022 0.0076 0.0076
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0114 0.1096 0.1095
Mycobacterium tuberculosis Probable lipase LipE 0.0114 0.1099 0.1392
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0097 0.0904 0.1145
Loa Loa (eye worm) glutathione reductase 0.0042 0.0305 0.0385
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.004 0.0281 0.2556
Brugia malayi jmjC domain containing protein 0.007 0.0614 0.1222
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0022 0.0076 0.0076
Echinococcus granulosus cpg binding protein 0.0068 0.0593 0.0592
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0083 0.0757 0.0757
Echinococcus multilocularis phd:f box containing protein 0.0018 0.0034 0.0034
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0022 0.0076 0.0151
Brugia malayi Calcitonin receptor-like protein seb-1 0.0105 0.0997 0.1983
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0045 0.0337 0.067
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.3281 0.5717
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0045 0.0337 0.653
Echinococcus granulosus Excitatory amino acid transporter 0.0257 0.2675 0.2675
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0045 0.0337 0.3063
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0149 0.1485 0.1485
Loa Loa (eye worm) CXXC zinc finger family protein 0.0065 0.0552 0.0736
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0114 0.1099 0.2186
Onchocerca volvulus Excitatory amino acid transporter homolog 0.0257 0.2675 0.459
Schistosoma mansoni jumonji domain containing protein 0.0018 0.0034 0.0034
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0918 0.9973 0.9973
Mycobacterium tuberculosis Probable oxidoreductase 0.0107 0.1023 0.1296
Schistosoma mansoni nuclear hormone receptor 0.0022 0.0076 0.0076
Echinococcus granulosus Excitatory amino acid transporter 0.0257 0.2675 0.2675
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.0544 0.0544
Loa Loa (eye worm) hypothetical protein 0.0114 0.1099 0.1514
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.0076 0.0076
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0022 0.0076 0.0151
Trichomonas vaginalis ran, putative 0.0045 0.0337 0.0587
Schistosoma mansoni RAR-like nuclear receptor 0.0022 0.0076 0.0076
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0729 0.789 1
Echinococcus granulosus ubiquitin specific protease 41 0.0083 0.0757 0.0757
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0114 0.1099 0.677
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0312 0.3281 0.653
Echinococcus granulosus survival motor neuron protein 1 0.0268 0.2794 0.2793
Echinococcus granulosus phd:f box containing protein 0.0018 0.0034 0.0034
Schistosoma mansoni steroid hormone receptor ad4bp 0.0022 0.0076 0.0076
Schistosoma mansoni cpg binding protein 0.0065 0.0552 0.0552
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0257 0.2675 0.2675
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0083 0.0757 0.1506
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0022 0.0076 0.0076
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0022 0.0076 0.0059
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0149 0.1485 0.1485
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0105 0.0997 0.1369
Mycobacterium leprae Probable lipase LipE 0.0114 0.1099 0.2712
Trichomonas vaginalis ap endonuclease, putative 0.004 0.0281 0.049
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0022 0.0076 0.0151
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0083 0.0757 0.689
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0097 0.0904 0.1145
Schistosoma mansoni jumonji/arid domain-containing protein 0.007 0.0614 0.0614
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.004 0.0281 0.0281
Echinococcus granulosus geminin 0.0178 0.1807 0.1807
Schistosoma mansoni hypothetical protein 0.0033 0.0205 0.0205
Brugia malayi Muscleblind-like protein 0.0151 0.1502 0.2988
Brugia malayi hypothetical protein 0.0018 0.0042 0.0083
Plasmodium vivax hypothetical protein, conserved 0.0114 0.1099 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0149 0.1485 0.2063
Echinococcus multilocularis muscleblind protein 1 0.0151 0.1502 0.1501
Brugia malayi Nuclear hormone receptor-like 1 0.0022 0.0076 0.0151
Trichomonas vaginalis penicillin-binding protein, putative 0.0114 0.1099 0.1914
Schistosoma mansoni coup transcription factor 0.0022 0.0076 0.0076
Schistosoma mansoni hypothetical protein 0.0033 0.0205 0.0205
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.004 0.0281 0.5449
Echinococcus granulosus excitatory amino acid transporter 2 0.0257 0.2675 0.2675
Echinococcus granulosus excitatory amino acid transporter 3 0.0257 0.2675 0.2675
Echinococcus multilocularis ecdysone induced protein 78C 0.0022 0.0076 0.0076
Plasmodium falciparum glutathione reductase 0.0042 0.0305 0.5924
Mycobacterium ulcerans hypothetical protein 0.0114 0.1099 0.677
Echinococcus granulosus GTP binding nuclear protein Ran 0.0045 0.0337 0.0336
Echinococcus granulosus neuropeptide s receptor 0.0524 0.5618 0.5617
Schistosoma mansoni hypothetical protein 0.0033 0.0205 0.0205
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0312 0.3281 0.4617
Schistosoma mansoni hypothetical protein 0.0055 0.0441 0.0441
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0045 0.0337 0.3063
Plasmodium vivax ataxin-2 like protein, putative 0.0029 0.0153 0.1394
Echinococcus multilocularis lysine specific demethylase 5A 0.0067 0.0573 0.0573
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.0544 0.335
Brugia malayi jmjC domain containing protein 0.0018 0.0034 0.0068
Echinococcus multilocularis survival motor neuron protein 1 0.0268 0.2794 0.2793
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.2097 0.3654
Mycobacterium ulcerans esterase/lipase LipP 0.0114 0.1099 0.677
Echinococcus granulosus mixed lineage leukemia protein mll 0.0019 0.0043 0.0043
Echinococcus granulosus lysine specific demethylase 5A 0.007 0.0614 0.0614
Mycobacterium tuberculosis Probable hydrolase 0.0114 0.1099 0.1392
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0149 0.1485 0.1485
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0083 0.0757 0.1483
Echinococcus granulosus neutral amino acid transporter A 0.0257 0.2675 0.2675
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.0544 0.335
Echinococcus multilocularis neutral amino acid transporter A 0.0257 0.2675 0.2675
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.004 0.0281 0.0351
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.3281 0.5717
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.0153 0.1394
Brugia malayi RNA, U transporter 1 0.0174 0.1764 0.351
Trypanosoma cruzi hypothetical protein, conserved 0.0114 0.1099 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0114 0.1099 0.1914
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0022 0.0076 0.0151
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0114 0.1099 0.1392
Echinococcus multilocularis lysine specific demethylase 6a 0.0018 0.0034 0.0034
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.004 0.0281 0.2556
Loa Loa (eye worm) hypothetical protein 0.0061 0.0515 0.0684
Plasmodium falciparum importin beta, putative 0.0061 0.0515 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0149 0.1485 0.1485
Onchocerca volvulus 0.0055 0.0441 0.0645
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0018 0.0034 0.0311
Schistosoma mansoni ap endonuclease 0.004 0.0281 0.0281
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0045 0.0337 0.0336
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0018 0.0034 0.0281
Leishmania major hypothetical protein, conserved 0.0114 0.1099 1
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0045 0.0337 0.2764
Trichomonas vaginalis Importin beta-1 subunit, putative 0.005 0.0387 0.0675
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0033 0.0205 0.0205
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0022 0.0076 0.0059
Mycobacterium ulcerans beta-lactamase 0.0114 0.1099 0.677
Schistosoma mansoni mixed-lineage leukemia protein mll 0.014 0.1379 0.1379
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0083 0.0757 0.0757
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0022 0.0076 0.0059
Loa Loa (eye worm) hypothetical protein 0.0083 0.0757 0.1028
Schistosoma mansoni cpg binding protein 0.0068 0.0593 0.0592
Onchocerca volvulus Glucosylceramidase homolog 0.0205 0.2097 0.3569
Brugia malayi hypothetical protein 0.0268 0.2794 0.556
Schistosoma mansoni ran 0.0045 0.0337 0.0336
Brugia malayi Importin beta-1 subunit 0.0061 0.0515 0.1025
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0083 0.0757 0.689
Echinococcus granulosus thioredoxin glutathione reductase 0.0043 0.0312 0.0311
Loa Loa (eye worm) hypothetical protein 0.0022 0.0076 0.0059
Trypanosoma cruzi hypothetical protein, conserved 0.0114 0.1099 1
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0083 0.0757 0.0757
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.004 0.0281 0.105
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0022 0.0076 0.0076
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0022 0.0076 0.0059
Loa Loa (eye worm) hypothetical protein 0.0114 0.1099 0.1514
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0033 0.0205 0.0205
Onchocerca volvulus 0.0114 0.1099 0.1806
Echinococcus granulosus excitatory amino acid transporter 2 0.0257 0.2675 0.2675
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0114 0.1096 0.1095
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0019 0.0043 0.0043
Mycobacterium tuberculosis Probable dehydrogenase 0.0097 0.0904 0.1145
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.0076 0.0076
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.0076 0.0076
Schistosoma mansoni protein phosphatase 2C 0.0018 0.0034 0.0034
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0069 0.0596 0.4891
Schistosoma mansoni phosphatidylserine receptor 0.0018 0.0034 0.0034
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.0076 0.0151
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0055 0.0441 0.0878
Mycobacterium tuberculosis Conserved protein 0.0114 0.1099 0.1392
Loa Loa (eye worm) hypothetical protein 0.0022 0.0076 0.0059
Echinococcus multilocularis Excitatory amino acid transporter 0.0257 0.2675 0.2675
Schistosoma mansoni jumonji domain containing protein 0.0067 0.0573 0.0573
Loa Loa (eye worm) hypothetical protein 0.0114 0.1099 0.1514
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0022 0.0076 0.0059
Wolbachia endosymbiont of Brugia malayi Na+/H+-dicarboxylate symporter 0.0257 0.2675 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0022 0.0076 0.0076
Loa Loa (eye worm) hypothetical protein 0.0072 0.063 0.0847
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0018 0.0034 0.0034
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0022 0.0076 0.0076
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.047 0.5024 0.7097
Trichomonas vaginalis D-aminoacylase, putative 0.0114 0.1099 0.1914
Echinococcus multilocularis excitatory amino acid transporter 2 0.0257 0.2675 0.2675
Echinococcus granulosus beta LACTamase domain containing family member 0.0114 0.1099 0.1098
Trypanosoma cruzi trypanothione reductase, putative 0.0042 0.0305 0.2778
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0331 0.3491 0.6083

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845] ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (binding) = 25.1189 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of Mitochondrial Division or Activators of Mitochondrial Fusion. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (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

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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