Detailed information for compound 1034700

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 595.708 | Formula: C25H29N3O8S3
  • H donors: 4 H acceptors: 8 LogP: 2.19 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=CNCC(=O)O[C@@H]1/C=C(\C)/CC[C@]2(CC(=O)N[C@H](c3nc(/C=C\C=C\C1=O)cs3)C)[S+]([O-])SC(=O)[C@]2(C)O
  • InChi: 1S/C25H29N3O8S3/c1-15-8-9-25(24(3,34)23(33)38-39(25)35)11-20(31)27-16(2)22-28-17(13-37-22)6-4-5-7-18(30)19(10-15)36-21(32)12-26-14-29/h4-7,10,13-14,16,19,34H,8-9,11-12H2,1-3H3,(H,26,29)(H,27,31)/b6-4-,7-5+,15-10+/t16-,19+,24-,25+,39?/m0/s1
  • InChiKey: RUFHEMHIVNPGHA-PQKAXWNNSA-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
Entamoeba histolytica hexokinase 1 0.0094 0.0968 0.3084
Schistosoma mansoni Smad4 0.0009 0.0035 0.0035
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.004 0.0377 0.0197
Plasmodium vivax geranylgeranyl pyrophosphate synthase 0.0917 1 1
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0009 0.0036 0.0001
Trypanosoma brucei Pyrophosphate-energized vacuolar membrane proton pump 2, putative 0.0761 0.8284 0.8282
Trichomonas vaginalis set domain proteins, putative 0.0253 0.2719 0.2708
Echinococcus multilocularis dna polymerase eta 0.0022 0.0183 0.0149
Trypanosoma cruzi polyprenyl synthase, putative 0.0348 0.3757 0.3748
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0036 0.0001
Loa Loa (eye worm) hypothetical protein 0.0033 0.0295 0.0281
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0036 0.0335 0.0322
Echinococcus multilocularis hexokinase type 2 0.0094 0.0968 0.0936
Echinococcus granulosus cpg binding protein 0.0033 0.0301 0.0266
Wolbachia endosymbiont of Brugia malayi geranylgeranyl pyrophosphate synthase 0.0254 0.2727 1
Brugia malayi Smad1 0.0009 0.0035 0.0021
Brugia malayi MH2 domain containing protein 0.0009 0.0035 0.0021
Echinococcus multilocularis prenyl (decaprenyl) diphosphate synthase 0.0254 0.2727 0.2701
Schistosoma mansoni geranylgeranyl pyrophosphate synthase 0.0348 0.3757 0.3757
Echinococcus granulosus hypothetical protein 0.0134 0.1409 0.1379
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0033 0.0295 0.0261
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0491 0.0457
Trypanosoma brucei hexokinase, putative 0.0094 0.0968 0.0955
Mycobacterium tuberculosis Probable multifunctional geranylgeranyl pyrophosphate synthetase IdsA1 (GGPP synthetase) (ggppsase) (geranylgeranyl diphosphate 0.0254 0.2727 0.2591
Loa Loa (eye worm) hexokinase type II 0.0094 0.0968 0.0955
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.0917 1 1
Brugia malayi Pre-SET motif family protein 0.0033 0.0295 0.0281
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0491 0.0457
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0022 0.0183 0.0149
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0183 0.0169
Brugia malayi CXXC zinc finger family protein 0.0031 0.0281 0.0267
Echinococcus granulosus hexokinase 0.0094 0.0968 0.0936
Plasmodium vivax V-type H(+)-translocating pyrophosphatase, putative 0.0761 0.8284 0.8282
Schistosoma mansoni smad1 5 8 and 0.0009 0.0035 0.0035
Trypanosoma cruzi hexokinase, putative 0.0094 0.0968 0.0955
Brugia malayi geranylgeranyl pyrophosphate synthetase 0.0348 0.3757 0.3748
Mycobacterium ulcerans lipase LipD 0.004 0.0377 0.0363
Schistosoma mansoni DNA polymerase eta 0.0022 0.0183 0.0183
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0031 0.0275 0.024
Echinococcus granulosus hexokinase 0.0094 0.0968 0.0936
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0377 0.0361
Schistosoma mansoni cpg binding protein 0.0031 0.0281 0.0281
Plasmodium vivax SET domain protein, putative 0.0033 0.0295 0.0281
Trichomonas vaginalis rotamase, putative 0.0036 0.0335 0.032
Loa Loa (eye worm) matrixin family protein 0.0007 0.002 0.0006
Loa Loa (eye worm) beta-lactamase 0.004 0.0377 0.0363
Brugia malayi MH1 domain containing protein 0.0009 0.0035 0.0021
Schistosoma mansoni DNA polymerase IV / kappa 0.0007 0.0014 0.0014
Leishmania major peptidyl-prolyl cis-trans isomerase, putative 0.0011 0.0062 0.0048
Loa Loa (eye worm) hypothetical protein 0.003 0.0265 0.0252
Echinococcus granulosus farnesyl pyrophosphate synthase 0.0917 1 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0377 0.0377
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0295 0.0295
Toxoplasma gondii hexokinase 0.0094 0.0968 0.0955
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0377 0.0361
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.005 0.0491 0.0477
Loa Loa (eye worm) hypothetical protein 0.0323 0.3477 0.3468
Giardia lamblia DINP protein human, muc B family 0.0022 0.0183 0.0169
Echinococcus granulosus mixed lineage leukemia protein mll 0.0009 0.0036 0.0001
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.004 0.0377 0.0363
Brugia malayi ImpB/MucB/SamB family protein 0.0022 0.0183 0.0169
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0036 0.0335 0.0322
Entamoeba histolytica hexokinase 2 0.0094 0.0968 0.3084
Brugia malayi MH2 domain containing protein 0.0009 0.0035 0.0021
Leishmania major hexokinase, putative 0.0094 0.0968 0.0955
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0022 0.0183 0.0149
Brugia malayi Hexokinase family protein 0.0059 0.0584 0.0571
Mycobacterium tuberculosis Probable geranylgeranyl pyrophosphate synthetase IdsA2 (ggppsase) (GGPP synthetase) (geranylgeranyl diphosphate synthase) 0.0917 1 1
Leishmania major DNA polymerase eta, putative 0.0022 0.0183 0.0169
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0183 0.0169
Brugia malayi Hexokinase family protein 0.0094 0.0968 0.0955
Loa Loa (eye worm) hypothetical protein 0.004 0.0377 0.0363
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0491 0.0491
Leishmania major solanesyl-diphosphate synthase, putative 0.0254 0.2727 0.2717
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0377 0.0361
Echinococcus multilocularis dna polymerase kappa 0.0022 0.0183 0.0149
Trichomonas vaginalis esterase, putative 0.004 0.0377 0.0361
Leishmania major DNA polymerase kappa, putative 0.0022 0.0183 0.0169
Mycobacterium ulcerans DNA polymerase IV 0.0022 0.0183 0.0169
Toxoplasma gondii V-type H(+)-translocating pyrophosphatase VP1 0.0761 0.8284 0.8282
Brugia malayi MH2 domain containing protein 0.013 0.1364 0.1352
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0183 0.0169
Trypanosoma brucei hexokinase 0.0094 0.0968 0.0955
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0009 0.0035 0.0035
Loa Loa (eye worm) hexokinase 0.0094 0.0968 0.0955
Schistosoma mansoni smad1 5 8 and 0.0009 0.0035 0.0035
Trypanosoma brucei Pyrophosphate-energized vacuolar membrane proton pump 1 0.0761 0.8284 0.8282
Trypanosoma cruzi vacuolar-type proton translocating pyrophosphatase 1 0.0761 0.8284 0.8282
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.004 0.0377 0.0363
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.0917 1 1
Echinococcus granulosus geminin 0.0196 0.2091 0.2063
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0033 0.0295 0.0261
Plasmodium falciparum octaprenyl pyrophosphate synthase 0.0254 0.2727 0.2717
Trypanosoma cruzi solanesyl-diphosphate synthase, putative 0.0254 0.2727 0.2717
Entamoeba histolytica geranylgeranyl pyrophosphate synthase, putative 0.0254 0.2727 1
Schistosoma mansoni farnesyl pyrophosphate synthase 0.0917 1 1
Loa Loa (eye worm) hypothetical protein 0.0064 0.064 0.0627
Echinococcus multilocularis decaprenyl diphosphate synthase subunit 1 0.0254 0.2727 0.2701
Trichomonas vaginalis rotamase, putative 0.0037 0.0345 0.033
Loa Loa (eye worm) hypothetical protein 0.0022 0.0183 0.0169
Onchocerca volvulus 0.0059 0.0584 0.1631
Brugia malayi beta-lactamase family protein 0.004 0.0377 0.0363
Leishmania major farnesyl pyrophosphate synthase 0.0917 1 1
Loa Loa (eye worm) hexokinase 0.0094 0.0968 0.0955
Trypanosoma cruzi Vacuolar proton pyrophosphatase 1, putative 0.0761 0.8284 0.8282
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0183 0.0169
Onchocerca volvulus 0.0253 0.2719 0.7808
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0491 0.0457
Loa Loa (eye worm) MH1 domain-containing protein 0.0009 0.0035 0.0021
Mycobacterium ulcerans polyprenyl synthetase IdsB 0.0254 0.2727 0.2717
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0012 0.0073 0.0038
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0377 0.0363
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0223 0.2383 0.2372
Leishmania major hexokinase, putative 0.0094 0.0968 0.0955
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0067 0.0679 0.0679
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0491 0.0491
Giardia lamblia Farnesyl diphosphate synthase 0.0917 1 1
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0037 0.0345 0.0331
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0022 0.0183 0.0168
Echinococcus multilocularis hexokinase 0.0094 0.0968 0.0936
Loa Loa (eye worm) hypothetical protein 0.004 0.0377 0.0363
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.004 0.0377 0.0197
Trypanosoma cruzi hexokinase, putative 0.0094 0.0968 0.0955
Schistosoma mansoni hypothetical protein 0.0196 0.2091 0.2091
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0183 0.0169
Loa Loa (eye worm) geranylgeranyl pyrophosphate synthetase 0.0348 0.3757 0.3748
Mycobacterium leprae PROBABLE POLYPRENYL-DIPHOSPHATE SYNTHASE GRCC1 (POLYPRENYL PYROPHOSPHATE SYNTHETASE) 0.0254 0.2727 1
Toxoplasma gondii ABC1 family protein 0.004 0.0377 0.0363
Echinococcus multilocularis expressed protein 0.0037 0.0345 0.0311
Onchocerca volvulus 0.004 0.0377 0.1031
Loa Loa (eye worm) hexokinase 0.0059 0.0584 0.0571
Mycobacterium tuberculosis Conserved protein 0.004 0.0377 0.0197
Echinococcus multilocularis conserved hypothetical protein 0.0134 0.1404 0.1374
Mycobacterium tuberculosis Probable conserved lipoprotein 0.004 0.0377 0.0197
Loa Loa (eye worm) hypothetical protein 0.004 0.0377 0.0363
Echinococcus granulosus hexokinase type 2 0.0094 0.0968 0.0936
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0011 0.0062 0.0048
Echinococcus granulosus dna polymerase eta 0.0022 0.0183 0.0149
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0183 0.0169
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0183 0.0169
Schistosoma mansoni terminal deoxycytidyl transferase 0.0022 0.0183 0.0183
Chlamydia trachomatis geranylgeranyl pyrophosphate synthase 0.0254 0.2727 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0295 0.0295
Toxoplasma gondii polyprenyl synthetase superfamily protein 0.0917 1 1
Mycobacterium tuberculosis Probable esterase LipL 0.004 0.0377 0.0197
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0255 0.274 0.2605
Brugia malayi Matrixin family protein 0.0008 0.0027 0.0013
Loa Loa (eye worm) hexokinase 0.0029 0.0257 0.0243
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0056 0.0042
Trypanosoma brucei unspecified product 0.0022 0.0183 0.0169
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0183 0.0169
Trypanosoma cruzi farnesyl pyrophosphate synthase 0.0917 1 1
Brugia malayi Pre-SET motif family protein 0.0223 0.2383 0.2372
Onchocerca volvulus 0.0094 0.0968 0.2741
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0022 0.0183 0.0169
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0036 0.0335 0.0322
Schistosoma mansoni hypothetical protein 0.0196 0.2091 0.2091
Echinococcus granulosus decaprenyl diphosphate synthase subunit 1 0.0254 0.2727 0.2701
Echinococcus multilocularis geranylgeranyl pyrophosphate synthase 0.0348 0.3757 0.3735
Trypanosoma brucei unspecified product 0.0015 0.0107 0.0093
Echinococcus multilocularis geminin 0.0196 0.2091 0.2063
Treponema pallidum octaprenyl-diphosphate synthase 0.0348 0.3757 1
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0012 0.0073 0.0038
Onchocerca volvulus 0.0094 0.0968 0.2741
Loa Loa (eye worm) hypothetical protein 0.004 0.0377 0.0363
Mycobacterium tuberculosis Probable lipase LipE 0.004 0.0377 0.0197
Schistosoma mansoni smad 0.0009 0.0035 0.0035
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0036 0.0335 0.0598
Schistosoma mansoni cpg binding protein 0.0033 0.0301 0.0301
Toxoplasma gondii polyprenyl synthetase superfamily protein 0.0254 0.2727 0.2717
Brugia malayi beta-lactamase family protein 0.004 0.0377 0.0363
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0022 0.0183 0.0183
Trypanosoma cruzi solanesyl-diphosphate synthase 0.0254 0.2727 0.2717
Brugia malayi Hexokinase family protein 0.0029 0.0257 0.0243
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.004 0.0377 0.0363
Trypanosoma brucei farnesyl pyrophosphate synthase 0.0917 1 1
Echinococcus granulosus prenyl decaprenyl diphosphate synthase 0.0254 0.2727 0.2701
Schistosoma mansoni smad1 5 8 and 0.0009 0.0035 0.0035
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0183 0.0169
Loa Loa (eye worm) MH2 domain-containing protein 0.0009 0.0035 0.0021
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0037 0.0345 0.0331
Loa Loa (eye worm) polyprenyl synthetase 0.0917 1 1
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.0377 0.0361
Echinococcus granulosus geranylgeranyl pyrophosphate synthase 0.0348 0.3757 0.3735
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0036 0.0001
Mycobacterium ulcerans hypothetical protein 0.004 0.0377 0.0363
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0183 0.0169
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0057 0.0022
Mycobacterium tuberculosis Probable lipase LipD 0.004 0.0377 0.0197
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0183 0.0169
Brugia malayi hypothetical protein 0.0323 0.3477 0.3468
Echinococcus multilocularis beta LACTamase domain containing family member 0.004 0.0377 0.0343
Mycobacterium tuberculosis Probable hydrolase 0.004 0.0377 0.0197
Echinococcus multilocularis hexokinase 0.0094 0.0968 0.0936
Entamoeba histolytica geranylgeranyl pyrophosphate synthetase, putative 0.0254 0.2727 1
Leishmania major vacuolar-type proton translocating pyrophosphatase 1, putative 0.0761 0.8284 0.8282
Onchocerca volvulus 0.0033 0.0295 0.0795
Plasmodium vivax vacuolar-type H+ pumping pyrophosphatase, putative 0.0761 0.8284 0.8282
Trypanosoma brucei hexokinase 0.0094 0.0968 0.0955
Loa Loa (eye worm) transcription factor SMAD2 0.013 0.1364 0.1352
Entamoeba histolytica bifunctional short chain isoprenyl diphosphate synthase, putative 0.0254 0.2727 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0265 0.0252
Leishmania major polyprenyl synthase, putative 0.0348 0.3757 0.3748
Mycobacterium ulcerans DNA polymerase IV 0.0022 0.0183 0.0169
Echinococcus granulosus histone lysine methyltransferase setb 0.0033 0.0295 0.0261
Loa Loa (eye worm) hypothetical protein 0.004 0.0377 0.0363
Leishmania major hypothetical protein, conserved 0.004 0.0377 0.0363
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 0.0917 1 1
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.0377 0.0361
Wolbachia endosymbiont of Brugia malayi geranylgeranyl pyrophosphate synthase 0.0254 0.2727 1
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 0.0917 1 1
Echinococcus granulosus hexokinase 0.0094 0.0968 0.0936
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0377 0.0363
Mycobacterium tuberculosis Possible polyprenyl synthetase IdsB (polyprenyl transferase) (polyprenyl diphosphate synthase) 0.0254 0.2727 0.2591
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0022 0.0183 0.0169
Trypanosoma brucei DNA polymerase eta, putative 0.0022 0.0183 0.0169
Toxoplasma gondii PPIC-type PPIASE domain-containing protein 0.0011 0.0062 0.0048
Plasmodium falciparum V-type H(+)-translocating pyrophosphatase, putative 0.0761 0.8284 0.8282
Plasmodium vivax hexokinase, putative 0.0094 0.0968 0.0955
Trypanosoma brucei hypothetical protein, conserved 0.004 0.0377 0.0363
Mycobacterium ulcerans esterase/lipase LipP 0.004 0.0377 0.0363
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0036 0.0036
Schistosoma mansoni glutathione synthetase 0.0254 0.2727 0.2727
Plasmodium falciparum geranylgeranyl pyrophosphate synthase, putative 0.0917 1 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0295 0.0295
Echinococcus multilocularis farnesyl pyrophosphate synthase 0.0917 1 1
Onchocerca volvulus 0.0094 0.0968 0.2741
Plasmodium vivax octaprenyl pyrophosphate synthase, putative 0.0254 0.2727 0.2717
Mycobacterium tuberculosis Probable polyprenyl-diphosphate synthase GrcC2 (polyprenyl pyrophosphate synthetase) 0.0254 0.2727 0.2591
Schistosoma mansoni cpg binding protein 0.0033 0.0301 0.0301
Mycobacterium tuberculosis Conserved protein 0.004 0.0377 0.0197
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0183 0.0169
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0491 0.0491
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0107 0.0093
Trypanosoma brucei solanesyl-diphosphate synthase, putative 0.0254 0.2727 0.2717
Mycobacterium tuberculosis Conserved protein 0.004 0.0377 0.0197
Onchocerca volvulus 0.004 0.0377 0.1031
Brugia malayi beta-lactamase 0.004 0.0377 0.0363
Onchocerca volvulus Hexokinase homolog 0.0059 0.0584 0.1631
Loa Loa (eye worm) polyprenyl synthetase 0.0254 0.2727 0.2717
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0183 0.0169
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0033 0.0295 0.0281
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0057 0.0022
Brugia malayi hexokinase 0.0094 0.0968 0.0955
Brugia malayi Polyprenyl synthetase family protein 0.0254 0.2727 0.2717
Brugia malayi ImpB/MucB/SamB family protein 0.0022 0.0183 0.0169
Onchocerca volvulus 0.004 0.0377 0.1031
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 0.0491 0.0477
Schistosoma mansoni trans-prenyltransferase 0.0254 0.2727 0.2727
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0183 0.0169
Brugia malayi hexokinase type II 0.003 0.0265 0.0252
Echinococcus multilocularis cpg binding protein 0.0033 0.0301 0.0266
Onchocerca volvulus 0.0323 0.3477 1
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0011 0.0062 0.0048
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0036 0.0335 0.0322
Trypanosoma cruzi solanesyl-diphosphate synthase, putative 0.0254 0.2727 0.2717
Toxoplasma gondii histone lysine methyltransferase SET1 0.006 0.0601 0.0588
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0183 0.0169
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0107 0.0093
Loa Loa (eye worm) MH2 domain-containing protein 0.013 0.1364 0.1352
Mycobacterium ulcerans polyprenyl diphosphate synthetase, GrcC1 0.0254 0.2727 0.2717
Mycobacterium ulcerans beta-lactamase 0.004 0.0377 0.0363
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.0345 0.033
Echinococcus granulosus expressed protein 0.0037 0.0345 0.0311
Loa Loa (eye worm) CXXC zinc finger family protein 0.0031 0.0281 0.0267
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0057 0.0043
Trypanosoma cruzi DNA polymerase eta, putative 0.0022 0.0183 0.0169
Plasmodium falciparum hexokinase 0.0094 0.0968 0.0955
Plasmodium falciparum V-type K+-independent H+-translocating inorganic pyrophosphatase 0.0761 0.8284 0.8282
Trichomonas vaginalis geranylgeranyl diphosphate synthase, putative 0.0917 1 1
Trypanosoma cruzi polyprenyl synthase, putative 0.0348 0.3757 0.3748
Trypanosoma brucei unspecified product 0.0015 0.0107 0.0093
Onchocerca volvulus 0.0031 0.0281 0.0755
Toxoplasma gondii peptidylprolyl isomerase 0.0036 0.0335 0.0322
Brugia malayi MH1 domain containing protein 0.0009 0.0035 0.0021
Trypanosoma cruzi farnesyl pyrophosphate synthase, putative 0.0917 1 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0033 0.0295 0.0295
Trichomonas vaginalis DNA polymerase eta, putative 0.0022 0.0183 0.0168
Echinococcus granulosus dna polymerase kappa 0.0022 0.0183 0.0149
Plasmodium vivax hypothetical protein, conserved 0.004 0.0377 0.0363
Echinococcus granulosus beta LACTamase domain containing family member 0.004 0.0377 0.0343
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0011 0.0062 0.0048
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.0008 0.0026 0.0026
Loa Loa (eye worm) hypothetical protein 0.004 0.0377 0.0363
Echinococcus multilocularis hexokinase 0.0094 0.0968 0.0936
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0377 0.0377
Schistosoma mansoni hexokinase 0.0094 0.0968 0.0968
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0491 0.0457
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0183 0.0169
Loa Loa (eye worm) Smad1 0.0009 0.0035 0.0021
Loa Loa (eye worm) matrixin family protein 0.0008 0.0027 0.0013
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0107 0.0093
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0183 0.0169
Schistosoma mansoni rotamase 0.0037 0.0345 0.0345

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.011 uM l-1 In vitro antiproliferative activity against HeLa S3 cells. ChEMBL. 12565949
ILS (functional) = 56 % In vivo antitumor activity against lymphocytic leukemia P388 in mice expressed as maximal increase in life span at an optimal dose of 8 mg/kg. ChEMBL. 12565949

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 12565949

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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