Detailed information for compound 112453

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 354.444 | Formula: C15H18N2O4S2
  • H donors: 1 H acceptors: 4 LogP: 2.23 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)S(=O)(=O)NN(S(=O)(=O)Cc1ccccc1)C
  • InChi: 1S/C15H18N2O4S2/c1-13-8-10-15(11-9-13)23(20,21)16-17(2)22(18,19)12-14-6-4-3-5-7-14/h3-11,16H,12H2,1-2H3
  • InChiKey: VCUVPZQNEZOEDP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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
Brugia malayi Pre-SET motif family protein 0.0034 0.0155 0.0412
Trypanosoma brucei Emopamil binding protein, putative 0.0145 0.09 0.3628
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0034 0.0155 0.0465
Trichomonas vaginalis heat shock protein, putative 0.0044 0.0225 0.1363
Brugia malayi Peptidase family C54 containing protein 0.0121 0.0744 0.237
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.004 0.0199 0.0611
Loa Loa (eye worm) heat shock protein 75 0.0031 0.0138 0.0108
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0034 0.0155 0.0465
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0015 0.003 0.0053
Brugia malayi RNA binding protein 0.013 0.0805 0.2571
Echinococcus multilocularis heat shock protein 0.0047 0.0245 0.0762
Echinococcus granulosus bloom syndrome protein 0.0025 0.0094 0.0264
Echinococcus granulosus importin subunit beta 1 0.0028 0.0119 0.0347
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0068 0.0214
Plasmodium falciparum histone acetyltransferase GCN5 0.0042 0.0207 0.1834
Schistosoma mansoni hypothetical protein 0.0464 0.3047 1
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0067 0.0396
Trypanosoma brucei heat shock protein, putative 0.0047 0.0245 0.0938
Giardia lamblia Histone acetyltransferase GCN5 0.0042 0.0207 0.0639
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.003 0.0126 0.037
Trypanosoma cruzi heat shock protein 85, putative 0.004 0.0199 0.075
Loa Loa (eye worm) hypothetical protein 0.0053 0.0284 0.0254
Echinococcus multilocularis jumonji domain containing protein 0.0043 0.0217 0.067
Loa Loa (eye worm) hypothetical protein 0.0031 0.0135 0.0105
Trypanosoma brucei heat shock protein 84, putative 0.0031 0.0138 0.0501
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0024 0.0088 0.0246
Schistosoma mansoni tar DNA-binding protein 0.013 0.0805 0.2641
Trichomonas vaginalis ran, putative 0.0021 0.0068 0.0404
Schistosoma mansoni blooms syndrome DNA helicase 0.002 0.0059 0.0192
Trichomonas vaginalis DNA helicase recq1, putative 0.0025 0.0094 0.0558
Schistosoma mansoni cpg binding protein 0.0097 0.0579 0.19
Schistosoma mansoni importin beta-1 0.0028 0.0119 0.039
Giardia lamblia Grp94/Hsp90 0.0044 0.0225 0.0718
Trichomonas vaginalis bromodomain-containing protein, putative 0.0045 0.0233 0.1409
Treponema pallidum heat shock protein 90 0.0044 0.0225 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C54, putative 0.0047 0.0246 0.0943
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0154 0.0966 0.3169
Schistosoma mansoni ap endonuclease 0.002 0.0062 0.0204
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0155 0.0507
Schistosoma mansoni hypothetical protein 0.0038 0.0185 0.0607
Schistosoma mansoni ap endonuclease 0.002 0.0062 0.0204
Echinococcus granulosus dnaJ subfamily B 0.0464 0.3047 1
Mycobacterium ulcerans heat shock protein 90 0.0044 0.0225 1
Trypanosoma brucei heat shock protein, putative 0.0047 0.0245 0.0938
Trypanosoma brucei sterol 24-c-methyltransferase, putative 0.0212 0.1351 0.5478
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0031 0.0133 0.0395
Trypanosoma brucei Heat shock protein 83, putative 0.0047 0.0245 0.0938
Onchocerca volvulus Heat shock protein 75 kDa, mitochondrial homolog 0.0031 0.0138 0.0003
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0119 0.0737
Entamoeba histolytica DNA repair and recombination protein RAD52, putative 0.0358 0.2335 1
Trypanosoma cruzi sterol 24-c-methyltransferase, putative 0.0212 0.1351 0.5478
Trypanosoma brucei AUT2/APG4/ATG4 cysteine peptidase, putative 0.0121 0.0744 0.2988
Entamoeba histolytica recQ family helicase, putative 0.0013 0.0016 0.0069
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0021 0.0068 0.0027
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0015 0.003 0.0053
Schistosoma mansoni hypothetical protein 0.0349 0.2274 0.7464
Toxoplasma gondii heat shock protein HSP90 0.0047 0.0245 0.1889
Trypanosoma cruzi 3-Beta-hydroxysteroid-delta(8), delta(7)-isomerase, putative 0.0145 0.09 0.3628
Trypanosoma brucei heat shock protein, putative 0.0047 0.0245 0.0938
Echinococcus granulosus lysine specific demethylase 5A 0.0043 0.0214 0.0662
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0014 0.0024 0.0077
Toxoplasma gondii PHD-finger domain-containing protein 0.0031 0.0135 0.0888
Loa Loa (eye worm) jmjC domain-containing protein 0.0064 0.0357 0.0327
Plasmodium vivax hypothetical protein, conserved 0.0031 0.0135 0.0934
Trypanosoma cruzi Emopamil binding protein, putative 0.0145 0.09 0.3628
Trypanosoma cruzi phospholipase A1, putative 0.0376 0.2453 1
Schistosoma mansoni endoplasmin 0.0047 0.0245 0.0803
Leishmania major heat shock protein 83-1 0.0047 0.0245 0.0938
Loa Loa (eye worm) hypothetical protein 0.0109 0.0659 0.0631
Trypanosoma cruzi 3-Beta-hydroxysteroid-delta(8), delta(7)-isomerase, putative 0.0145 0.09 0.3628
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0021 0.0067 0.0396
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0045 0.0233 0.178
Schistosoma mansoni hypothetical protein 0.005 0.0263 0.0863
Brugia malayi Cytochrome P450 family protein 0.0028 0.0115 0.028
Leishmania major heat shock protein 83-1 0.0047 0.0245 0.0938
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0101 0.0609 0.1962
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0196 0.1243 0.4078
Mycobacterium tuberculosis Halimadienyl diphosphate synthase 0.0127 0.078 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0034 0.0155 0.0507
Loa Loa (eye worm) hypothetical protein 0.0029 0.012 0.0089
Entamoeba histolytica acetyltransferase, GNAT family 0.0042 0.0207 0.0887
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0159 0.0998 0.0971
Brugia malayi latrophilin 2 splice variant baaae 0.0109 0.0659 0.2088
Entamoeba histolytica hypothetical protein 0.0038 0.0185 0.0792
Trichomonas vaginalis heat shock protein, putative 0.0047 0.0245 0.1482
Schistosoma mansoni ran 0.0021 0.0068 0.0224
Echinococcus multilocularis cysteine protease atg4b 0.0121 0.0744 0.2408
Echinococcus granulosus histone lysine methyltransferase setb 0.0034 0.0155 0.0465
Brugia malayi Calcitonin receptor-like protein seb-1 0.0159 0.0998 0.3213
Echinococcus granulosus cysteine protease atg4b 0.0121 0.0744 0.2408
Echinococcus multilocularis snurportin 1 0.0304 0.1972 0.6457
Schistosoma mansoni heat shock protein 0.0047 0.0245 0.0803
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0067 0.0396
Trypanosoma brucei sterol 24-c-methyltransferase, putative 0.0212 0.1351 0.5478
Trichomonas vaginalis endoplasmin, putative 0.0034 0.0158 0.095
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.005 0.0266 0.0833
Brugia malayi F/Y-rich N-terminus family protein 0.0039 0.0191 0.0534
Brugia malayi S-adenosyl-methionine cycloartenol-C24-methyltransferase 0.0103 0.0621 0.1961
Trichomonas vaginalis Clan CA, family C54, ATG4-like cysteine peptidase 0.0121 0.0744 0.4536
Toxoplasma gondii heat shock protein 75, putative 0.0031 0.0138 0.0914
Echinococcus granulosus histone acetyltransferase KAT2B 0.015 0.0937 0.3043
Echinococcus granulosus Peptidase C54 0.0121 0.0744 0.2408
Loa Loa (eye worm) TAR-binding protein 0.013 0.0805 0.0777
Loa Loa (eye worm) heat shock protein 90 0.0047 0.0245 0.0215
Echinococcus granulosus mixed lineage leukemia protein mll 0.0024 0.0088 0.0246
Trypanosoma brucei sterol 24-c-methyltransferase, putative 0.011 0.067 0.2682
Trypanosoma brucei heat shock protein 90, putative 0.0047 0.0245 0.0938
Loa Loa (eye worm) hypothetical protein 0.0028 0.0119 0.0089
Trypanosoma brucei heat shock protein, putative 0.0047 0.0245 0.0938
Entamoeba histolytica hypothetical protein 0.0038 0.0185 0.0792
Schistosoma mansoni hypothetical protein 0.0349 0.2274 0.7464
Echinococcus multilocularis vesicular acetylcholine transporter 0.0463 0.3043 0.9984
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0083 0.0492
Toxoplasma gondii LsmAD domain-containing protein 0.0029 0.012 0.0744
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0034 0.0157 0.0579
Entamoeba histolytica peptidase, C54 family 0.0047 0.0246 0.1053
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0062 0.0549
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.012 0.1058
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0083 0.0273
Giardia lamblia PHD finger protein 15 0.0031 0.0135 0.0322
Loa Loa (eye worm) hypothetical protein 0.0103 0.0621 0.0592
Trichomonas vaginalis helicase, putative 0.0021 0.0067 0.0396
Brugia malayi acetyltransferase, GNAT family protein 0.0154 0.0966 0.3105
Echinococcus multilocularis survival motor neuron protein 1 0.0245 0.1573 0.5141
Brugia malayi TAR-binding protein 0.013 0.0805 0.2571
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0021 0.0067 0.0396
Echinococcus granulosus snurportin 1 0.0304 0.1972 0.6457
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.012 0.0425
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0062 0.0188
Trypanosoma cruzi sterol 24-c-methyltransferase, putative 0.0212 0.1351 0.5478
Echinococcus multilocularis endoplasmin 0.0044 0.0225 0.0698
Schistosoma mansoni jumonji domain containing protein 0.0081 0.0469 0.1538
Trypanosoma brucei heat shock protein, putative 0.0047 0.0245 0.0938
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0067 0.0396
Schistosoma mansoni heat shock protein 0.0031 0.0138 0.0453
Brugia malayi Endoplasmin precursor 0.0047 0.0245 0.0711
Trypanosoma cruzi heat shock protein 85, putative 0.0047 0.0245 0.0938
Leishmania major heat shock protein 83-1 0.0047 0.0245 0.0938
Schistosoma mansoni hypothetical protein 0.005 0.0266 0.0873
Leishmania major heat shock protein 83-1 0.0047 0.0245 0.0938
Trypanosoma brucei phospholipase A1, putative 0.0376 0.2453 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0021 0.0067 0.0396
Leishmania major AUT2/APG4/ATG4 cysteine peptidase, putative 0.0047 0.0246 0.0943
Onchocerca volvulus 0.0145 0.09 0.0775
Trypanosoma brucei heat shock protein, putative 0.0047 0.0245 0.0938
Onchocerca volvulus 0.0092 0.0544 0.0414
Onchocerca volvulus Phospholipase A2 homolog 0.0397 0.26 0.2498
Trichomonas vaginalis Clan CA, family C54, ATG4-like cysteine peptidase 0.0121 0.0744 0.4536
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0068 0.0214
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0224 0.1432 0.1406
Giardia lamblia DNA repair protein RAD52 0.0358 0.2335 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0031 0.0135 0.0888
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0068 0.018
Leishmania major heat shock protein 83-1 0.0047 0.0245 0.0938
Leishmania major heat shock protein 83-1 0.0047 0.0245 0.0938
Brugia malayi RNA recognition motif domain containing protein 0.013 0.0805 0.2571
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.012 0.1058
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0159 0.0998 0.3213
Loa Loa (eye worm) RecQ helicase 0.0025 0.0094 0.0063
Loa Loa (eye worm) latrophilin receptor protein 2 0.005 0.0266 0.0236
Leishmania major sterol 24-c-methyltransferase, putative 0.0212 0.1351 0.5478
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.0185 0.0607
Leishmania major heat shock protein 83-1 0.0047 0.0245 0.0938
Brugia malayi Pre-SET motif family protein 0.0224 0.1432 0.4653
Schistosoma mansoni hypothetical protein 0.005 0.0266 0.0873
Leishmania major heat shock protein 83-1 0.0047 0.0245 0.0938
Schistosoma mansoni ran 0.0021 0.0068 0.0224
Trypanosoma cruzi phospholipase A2-like protein, putative 0.0172 0.1085 0.4388
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0034 0.0157 0.0474
Brugia malayi Importin beta-1 subunit 0.0028 0.0119 0.0294
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0021 0.0067 0.0396
Entamoeba histolytica hypothetical protein 0.0023 0.0083 0.0354
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0024 0.0088 0.0246
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0068 0.0126
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0062 0.016
Leishmania major heat shock protein 83-1 0.0047 0.0245 0.0938
Schistosoma mansoni family C54 unassigned peptidase (C54 family) 0.0121 0.0744 0.2442
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0034 0.0157 0.0516
Schistosoma mansoni survival motor neuron protein 0.005 0.0263 0.0863
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0044 0.0225 1
Trypanosoma cruzi phospholipase A1, putative 0.0376 0.2453 1
Leishmania major phospholipase A1, putative 0.0376 0.2453 1
Echinococcus granulosus heat shock protein 0.0047 0.0245 0.0762
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.012 0.0425
Trypanosoma brucei lanosterol synthase 0.0191 0.121 0.4899
Trypanosoma cruzi AUT2/APG4/ATG4 cysteine peptidase, putative 0.0121 0.0744 0.2988
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0034 0.0157 0.0579
Plasmodium vivax ataxin-2 like protein, putative 0.0029 0.012 0.079
Brugia malayi isocitrate dehydrogenase 0.0034 0.0157 0.0421
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0067 0.0396
Echinococcus granulosus PHD finger protein rhinoceros 0.0031 0.0135 0.0401
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.013 0.0805 0.0777
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0034 0.0157 0.0474
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0034 0.0157 0.1326
Entamoeba histolytica peptidase, C54 family 0.0047 0.0246 0.1053
Trypanosoma cruzi heat shock protein, putative 0.0031 0.0138 0.0501
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0062 0.0032
Schistosoma mansoni hypothetical protein 0.005 0.0266 0.0873
Brugia malayi RNA, U transporter 1 0.0081 0.0472 0.1466
Entamoeba histolytica peptidase, C54 family 0.0047 0.0246 0.1053
Trypanosoma cruzi AUT2/APG4/ATG4 cysteine peptidase, putative 0.0047 0.0246 0.0943
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0.0062 0.0266
Trypanosoma cruzi phospholipase A2-like protein, putative 0.0172 0.1085 0.4388
Brugia malayi hypothetical protein 0.0029 0.012 0.0296
Giardia lamblia Heat shock protein HSP 90-alpha 0.0047 0.0245 0.0803
Toxoplasma gondii heat shock protein 90, putative 0.0047 0.0245 0.1889
Loa Loa (eye worm) RNA binding protein 0.013 0.0805 0.0777
Plasmodium vivax heat shock protein 86, putative 0.0047 0.0245 0.193
Leishmania major lanosterol synthase, putative 0.0191 0.121 0.4899
Loa Loa (eye worm) CXXC zinc finger family protein 0.0092 0.0544 0.0515
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.005 0.0266 0.0782
Echinococcus multilocularis cpg binding protein 0.0097 0.0579 0.1863
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.003 0.0126 0.037
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0044 0.0225 0.5
Trichomonas vaginalis Clan CA, family C54, ATG4-like cysteine peptidase 0.0121 0.0744 0.4536
Trichomonas vaginalis set domain proteins, putative 0.0254 0.1638 1
Echinococcus granulosus heat shock protein 90 0.004 0.0199 0.0611
Entamoeba histolytica hypothetical protein 0.0038 0.0185 0.0792
Leishmania major importin beta-1 subunit, putative 0.0023 0.0083 0.0273
Brugia malayi hypothetical protein 0.0018 0.0051 0.007
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0083 0.0492
Echinococcus multilocularis tar DNA binding protein 0.013 0.0805 0.2608
Loa Loa (eye worm) hypothetical protein 0.0121 0.0744 0.0716
Onchocerca volvulus 0.0376 0.2453 0.2349
Entamoeba histolytica peptidase, C54 family 0.0047 0.0246 0.1053
Trichomonas vaginalis Clan CA, family C54, ATG4-like cysteine peptidase 0.0121 0.0744 0.4536
Loa Loa (eye worm) acetyltransferase 0.0154 0.0966 0.0938
Trypanosoma cruzi heat shock protein 85, putative 0.0047 0.0245 0.0938
Leishmania major heat shock protein 83-1 0.0047 0.0245 0.0938
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0034 0.0157 0.1133
Brugia malayi Latrophilin receptor protein 2 0.005 0.0266 0.0782
Leishmania major hypothetical protein, conserved 0.0145 0.09 0.3628
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.005 0.0266 0.0833
Echinococcus granulosus endoplasmin 0.0044 0.0225 0.0698
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.0463 0.3043 0.2947
Echinococcus multilocularis GPCR, family 2 0.005 0.0266 0.0833
Loa Loa (eye worm) platelet-activating factor acetylhydrolase 0.0376 0.2453 0.243
Leishmania major heat shock protein 83-1 0.0047 0.0245 0.0938
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0045 0.0233 0.178
Echinococcus multilocularis heat shock protein 75 kDa, mitochondrial 0.0031 0.0138 0.0411
Schistosoma mansoni tar DNA-binding protein 0.013 0.0805 0.2641
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0011 0.0002 0.00000000017302
Echinococcus multilocularis dnaJ subfamily B 0.0464 0.3047 1
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0034 0.0157 0.0579
Loa Loa (eye worm) hypothetical protein 0.0397 0.26 0.2577
Trypanosoma cruzi heat shock protein 90, putative 0.0047 0.0245 0.0938
Leishmania major sterol 24-c-methyltransferase, putative 0.0212 0.1351 0.5478
Trichomonas vaginalis Clan CA, family C54, ATG4-like cysteine peptidase 0.0121 0.0744 0.4536
Echinococcus granulosus cpg binding protein 0.0097 0.0579 0.1863
Trichomonas vaginalis heat shock protein, putative 0.0034 0.0158 0.095
Echinococcus granulosus jumonji domain containing protein 0.0043 0.0217 0.067
Trypanosoma cruzi sterol 24-c-methyltransferase, putative 0.0212 0.1351 0.5478
Loa Loa (eye worm) hypothetical protein 0.005 0.0266 0.0236
Onchocerca volvulus 0.0254 0.1638 0.1523
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0067 0.0396
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0034 0.0157 0.0474
Schistosoma mansoni endoplasmin 0.0047 0.0245 0.0803
Plasmodium falciparum heat shock protein 90, putative 0.0179 0.113 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0062 0.0188
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0154 0.0966 0.3139
Trypanosoma brucei heat shock protein, putative 0.0047 0.0245 0.0938
Toxoplasma gondii exonuclease III APE 0.002 0.0062 0.0217
Trypanosoma cruzi heat shock protein 90, putative 0.004 0.0199 0.075
Echinococcus granulosus heat shock protein 75 kDa mitochondrial 0.0031 0.0138 0.0411
Brugia malayi hypothetical protein 0.0038 0.0185 0.0513
Toxoplasma gondii isocitrate dehydrogenase 0.0034 0.0157 0.1089
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.005 0.0266 0.0833
Schistosoma mansoni heat shock protein 0.0047 0.0245 0.0803
Leishmania major AUT2/APG4/ATG4 cysteine peptidase, putative 0.0121 0.0744 0.2988
Schistosoma mansoni hypothetical protein 0.0013 0.0014 0.0044
Brugia malayi CXXC zinc finger family protein 0.0092 0.0544 0.1704
Plasmodium vivax heat shock protein 90, putative 0.0031 0.0138 0.0959
Plasmodium falciparum phd finger protein, putative 0.0031 0.0135 0.1197
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0062 0.0366
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0068 0.018
Loa Loa (eye worm) hypothetical protein 0.0124 0.0764 0.0736
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0021 0.0067 0.0396
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0067 0.0396
Entamoeba histolytica Rad52/22 family double-strand break repair protein, putative 0.0102 0.0612 0.2622
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0034 0.0156 0.0513
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0044 0.0225 0.0858
Echinococcus multilocularis heat shock protein 90 0.0047 0.0245 0.0762
Schistosoma mansoni hypothetical protein 0.0109 0.0659 0.2163
Leishmania major heat shock protein 83-1 0.0047 0.0245 0.0938
Schistosoma mansoni hypothetical protein 0.005 0.0266 0.0873
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0021 0.0068 0.0323
Brugia malayi Isocitrate dehydrogenase 0.0034 0.0157 0.0421
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0068 0.0038
Schistosoma mansoni autophagin-1 (C54 family) 0.0121 0.0744 0.2442
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0062 0.0188
Entamoeba histolytica hypothetical protein 0.0102 0.0612 0.2622
Echinococcus granulosus heat shock protein 90 0.0047 0.0245 0.0762
Trypanosoma cruzi lanosterol synthase, putative 0.0191 0.121 0.4899
Trichomonas vaginalis DNA helicase recq, putative 0.0013 0.0016 0.0085
Trypanosoma cruzi Heat shock protein 83, putative 0.0047 0.0245 0.0938
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.0185 0.0565
Echinococcus multilocularis geminin 0.0349 0.2274 0.7453
Leishmania major heat shock protein 83-1 0.0047 0.0245 0.0938
Trypanosoma brucei PAB1-binding protein , putative 0.0029 0.012 0.0425
Entamoeba histolytica 90 kDa heat shock protein, putative 0.0031 0.0138 0.0591
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0024 0.0088 0.0246
Toxoplasma gondii histone lysine methyltransferase SET1 0.0179 0.1128 0.9985
Schistosoma mansoni cpg binding protein 0.0097 0.0579 0.19
Trypanosoma brucei heat shock protein 90, putative 0.0047 0.0245 0.0938
Trichomonas vaginalis DNA helicase recq, putative 0.0025 0.0094 0.0558
Brugia malayi heat shock protein 90 0.0047 0.0245 0.0711
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0067 0.0396
Entamoeba histolytica Ran family GTPase 0.0021 0.0068 0.0292
Plasmodium vivax SET domain protein, putative 0.0034 0.0155 0.111
Echinococcus granulosus vesicular acetylcholine transporter 0.0463 0.3043 0.9984
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0062 0.0105
Trypanosoma cruzi heat shock protein 90, putative 0.002 0.006 0.0181
Echinococcus granulosus GPCR family 2 0.005 0.0266 0.0833
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0119 0.0422
Loa Loa (eye worm) hypothetical protein 0.0245 0.1573 0.1547
Leishmania major GTP-binding protein, putative 0.0021 0.0068 0.0214
Brugia malayi Hsp90 protein 0.0031 0.0138 0.0358
Schistosoma mansoni tar DNA-binding protein 0.013 0.0805 0.2641
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0021 0.0067 0.0396
Entamoeba histolytica heat shock protein 90, putative 0.0047 0.0245 0.1048
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0062 0.016
Echinococcus multilocularis heat shock protein 90 0.004 0.0199 0.0611
Leishmania major 3-Beta-hydroxysteroid-delta(8), delta(7)-isomerase, putative 0.0145 0.09 0.3628
Trichomonas vaginalis heat shock protein, putative 0.004 0.0199 0.1202
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0119 0.0347
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0017 0.004 0.0062
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0062 0.0366
Loa Loa (eye worm) PHD-finger family protein 0.0031 0.0135 0.0105
Leishmania major hypothetical protein, conserved 0.0029 0.012 0.0425
Brugia malayi jmjC domain containing protein 0.0101 0.0609 0.192
Schistosoma mansoni tar DNA-binding protein 0.013 0.0805 0.2641
Onchocerca volvulus Phospholipase A2 homolog 0.1498 1 1
Leishmania major heat shock protein 83-1 0.0047 0.0245 0.0938
Plasmodium falciparum endoplasmin, putative 0.0034 0.0158 0.1395
Loa Loa (eye worm) endoplasmin 0.0047 0.0245 0.0215
Echinococcus granulosus tar DNA binding protein 0.013 0.0805 0.2608
Echinococcus multilocularis lysine specific demethylase 5A 0.0037 0.0179 0.0546
Brugia malayi jmjC domain containing protein 0.0043 0.0214 0.061
Echinococcus multilocularis peregrin 0.0035 0.0161 0.0485
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0062 0.0266
Leishmania major heat shock protein 83-1 0.0047 0.0245 0.0938
Plasmodium vivax endoplasmin, putative 0.0047 0.0245 0.193
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0021 0.0068 0.0274
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0034 0.0157 0.0474
Onchocerca volvulus 0.0034 0.0155 0.002
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.0185 0.0565
Schistosoma mansoni cpg binding protein 0.0092 0.0544 0.1784
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0022 0.0073 0.0649
Trichomonas vaginalis heat shock protein, putative 0.0044 0.0225 0.1363
Trypanosoma brucei heat shock protein, putative 0.0047 0.0245 0.0938
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0044 0.0225 0.2272
Plasmodium falciparum heat shock protein 90, putative 0.0027 0.0112 0.0989
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0021 0.0068 0.0214
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0083 0.0492
Echinococcus granulosus histone acetyltransferase KAT2B 0.0045 0.0233 0.0722
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0045 0.0233 0.1409
Plasmodium falciparum heat shock protein 90 0.0047 0.0245 0.2165
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0031 0.0135 0.0444
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0304 0.1972 0.1948
Giardia lamblia Heat shock protein HSP 90-alpha 0.004 0.0199 0.0602
Plasmodium falciparum conserved Plasmodium membrane protein, unknown function 0.0016 0.0033 0.0291
Brugia malayi Platelet-activating factor acetylhydrolase, plasma/intracellular isoform II family protein 0.0376 0.2453 0.8043
Loa Loa (eye worm) isocitrate dehydrogenase 0.0034 0.0157 0.0127
Brugia malayi PHD-finger family protein 0.0031 0.0135 0.0348
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.005 0.0263 0.0772
Onchocerca volvulus 0.005 0.0263 0.0129
Leishmania major heat shock protein 83-1 0.0047 0.0245 0.0938
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0101 0.0609 0.1962
Echinococcus multilocularis bloom syndrome protein 0.0025 0.0094 0.0264
Schistosoma mansoni tar DNA-binding protein 0.013 0.0805 0.2641
Trypanosoma cruzi Emopamil binding protein, putative 0.0145 0.09 0.3628
Loa Loa (eye worm) histone methyltransferase 0.003 0.0126 0.0096
Plasmodium falciparum cysteine protease ATG4, putative 0.0047 0.0246 0.2176
Toxoplasma gondii autophagy-related cysteine peptidase atg4, putative 0.0047 0.0246 0.1901
Brugia malayi Bromodomain containing protein 0.0035 0.0161 0.0433
Leishmania major heat shock protein 83-1 0.0047 0.0245 0.0938
Entamoeba histolytica peptidase, C54 family 0.0121 0.0744 0.3187
Schistosoma mansoni hypothetical protein 0.0031 0.0135 0.0444
Brugia malayi vesicular acetylcholine transporter unc-17 0.0463 0.3043 1
Echinococcus multilocularis Peptidase C54 0.0121 0.0744 0.2408
Toxoplasma gondii isocitrate dehydrogenase 0.0034 0.0157 0.1089
Trypanosoma brucei Sterol methyltransferase, putative 0.0212 0.1351 0.5478
Loa Loa (eye worm) cytochrome P450 family protein 0.0028 0.0115 0.0085
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0034 0.0155 0.1065
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0062 0.0188
Brugia malayi hypothetical protein 0.0245 0.1573 0.5122
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0021 0.0068 0.0604
Schistosoma mansoni family C54 unassigned peptidase (C54 family) 0.0121 0.0744 0.2442
Echinococcus multilocularis isocitrate dehydrogenase 0.0034 0.0157 0.0474
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0214 0.0703
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0021 0.0067 0.0396
Onchocerca volvulus 0.0376 0.2453 0.2349
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0214 0.0703
Leishmania major heat shock protein, putative 0.0031 0.0138 0.0501
Onchocerca volvulus 0.0376 0.2453 0.2349
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.005 0.0266 0.0833
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0155 0.0507
Echinococcus granulosus geminin 0.0349 0.2274 0.7453
Loa Loa (eye worm) hypothetical protein 0.0159 0.0998 0.0971
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0155 0.0507
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0045 0.0233 0.1821
Schistosoma mansoni vesicular acetylcholine transporter 0.0463 0.3043 0.9984
Trypanosoma cruzi cysteine peptidase, Clan CA, family C54, putative 0.0047 0.0246 0.0943
Trichomonas vaginalis heat shock protein, putative 0.0027 0.0112 0.067
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0067 0.0396
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.0463 0.3043 0.3021
Trypanosoma cruzi heat shock protein 85, putative 0.0047 0.0245 0.0938
Entamoeba histolytica hypothetical protein 0.0038 0.0185 0.0792
Plasmodium vivax importin-beta 2, putative 0.0028 0.0119 0.0784
Schistosoma mansoni hypothetical protein 0.0304 0.1972 0.6472
Echinococcus multilocularis PHD finger protein rhinoceros 0.0031 0.0135 0.0401
Brugia malayi Bloom's syndrome protein homolog 0.0025 0.0094 0.021
Echinococcus granulosus peregrin 0.0035 0.0161 0.0485
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0021 0.0067 0.0396
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0067 0.0396
Entamoeba histolytica heat shock protein 90, putative 0.0047 0.0245 0.1048
Plasmodium vivax heat shock protein, putative 0.0179 0.113 1
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0034 0.0157 0.0579
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0034 0.0157 0.0579
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0034 0.0157 0.1391
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0034 0.0157 0.0474
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0119 0.0422
Toxoplasma gondii Hsp90 domain-containing protein 0.0179 0.113 1
Brugia malayi Phospholipase A2 family protein 0.0397 0.26 0.853
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.0214 0.0184
Echinococcus granulosus survival motor neuron protein 1 0.0245 0.1573 0.5141
Plasmodium falciparum importin beta, putative 0.0028 0.0119 0.1052
Loa Loa (eye worm) hypothetical protein 0.0034 0.0155 0.0125
Trypanosoma cruzi lanosterol synthase, putative 0.0191 0.121 0.4899

Activities

Activity type Activity value Assay description Source Reference
Dose (functional) = 50 mg kg-1 Antitumor activity against B16 melanoma cells in mice. Activity is expressed as optimal effective dose. ChEMBL. 3669023
Dose (functional) = 50 mg kg-1 Antitumor activity against B16 melanoma cells in mice. Activity is expressed as optimal effective dose. ChEMBL. 3669023
Dose (functional) = 100 mg kg-1 Antitumor activity against L1210 leukemia cells in mice, activity is expressed as optimal effective dose. ChEMBL. 3669023
Dose (functional) = 100 mg kg-1 Antitumor activity against L1210 leukemia cells in mice, activity is expressed as optimal effective dose. ChEMBL. 3669023
T/C (functional) = 126 % Antitumor activity against L1210 leukemia cells in mice (activity expressed as average survival time of treated/control animals x 100) ChEMBL. 3669023
T/C (functional) = 126 % Antitumor activity against L1210 leukemia cells in mice (activity expressed as average survival time of treated/control animals x 100) ChEMBL. 3669023
T/C (functional) = 206 % Antitumor activity against B16 melanoma cells in mice, activity is expressed as average survival time of treated/control animals x 100. ChEMBL. 3669023
Weight change (functional) = 0.3 % Antitumor activity against L1210 leukemia cells in mice calculated as average change in body weight from onset to termination of therapy ChEMBL. 3669023
Weight change (functional) = 0.3 % Antitumor activity against L1210 leukemia cells in mice calculated as average change in body weight from onset to termination of therapy ChEMBL. 3669023
Weight change (functional) = 2.7 % Antitumor activity against mouse B16 melanoma cells, calculated as average change in body weight from onset to termination of therapy ChEMBL. 3669023

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

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.