Detailed information for compound 1074639

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 503.593 | Formula: C26H21N3O4S2
  • H donors: 1 H acceptors: 4 LogP: 4.61 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1ccc(cc1)C1Sc2ccccc2C(=O)N1c1ccc(cc1)S(=O)(=O)Nc1ccccn1
  • InChi: 1S/C26H21N3O4S2/c1-33-20-13-9-18(10-14-20)26-29(25(30)22-6-2-3-7-23(22)34-26)19-11-15-21(16-12-19)35(31,32)28-24-8-4-5-17-27-24/h2-17,26H,1H3,(H,27,28)
  • InChiKey: SLCBBINUUITQFO-UHFFFAOYSA-N  


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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

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

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0339 0.4125
Trypanosoma cruzi DNA polymerase eta, putative 0.0019 0.0342 0.4162
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0342 0.0541
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0008 0.0025 0.0038
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0342 0.4162
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0823 1
Mycobacterium leprae Probable lipase LipE 0.0036 0.0823 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0342 0.0342
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0339 0.2146
Mycobacterium ulcerans bacterioferritin BfrB 0.0008 0.0041 0.0261
Brugia malayi Calcitonin receptor-like protein seb-1 0.0306 0.859 1
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0342 0.0342
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.048 1
Echinococcus granulosus GPCR family 2 0.0097 0.2581 0.2581
Loa Loa (eye worm) hypothetical protein 0.003 0.0656 0.0763
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0097 0.2581 0.2581
Loa Loa (eye worm) hypothetical protein 0.0018 0.0308 0.0359
Mycobacterium ulcerans beta-lactamase 0.0036 0.0823 0.5203
Echinococcus multilocularis Smad4 0.0009 0.0062 0.0062
Loa Loa (eye worm) hypothetical protein 0.0036 0.0823 0.0958
Brugia malayi guanine nucleotide-binding protein alpha-7 subunit, putative 0.0008 0.0025 0.0029
Echinococcus multilocularis guanine nucleotide binding protein (G protein) 0.0008 0.0025 0.0025
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0624 0.0624
Echinococcus granulosus guanine nucleotide binding protein G protein 0.0008 0.0025 0.0025
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.1581 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0823 0.0823
Trichomonas vaginalis ferritin, putative 0.0008 0.0041 0.0063
Loa Loa (eye worm) hypothetical protein 0.0036 0.0823 0.0958
Brugia malayi GTP-binding regulatory protein alpha chain - starfish, putative 0.0008 0.0025 0.0029
Onchocerca volvulus Huntingtin homolog 0.0127 0.3437 0.5218
Brugia malayi AMP-binding enzyme family protein 0.0024 0.048 0.0559
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0656 0.0656
Brugia malayi beta-lactamase family protein 0.0036 0.0823 0.0958
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0823 0.0958
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0823 1
Loa Loa (eye worm) hypothetical protein 0.0008 0.0025 0.0029
Trichomonas vaginalis GTP-binding protein (O) alpha subunit, gnao, putative 0.0008 0.0025 0.0038
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0339 0.0515
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.048 0.3034
Echinococcus multilocularis expressed protein 0.0008 0.0025 0.0025
Giardia lamblia DINP protein human, muc B family 0.0019 0.0342 1
Plasmodium vivax acyl-CoA synthetase, putative 0.0018 0.0308 0.3745
Brugia malayi MH2 domain containing protein 0.0134 0.3634 0.4231
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0342 0.0342
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0342 0.0399
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.0823 0.13
Loa Loa (eye worm) hypothetical protein 0.0127 0.3437 0.4002
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0208 0.5763 0.6709
Brugia malayi guanine nucleotide-binding protein G-o protein alpha subunit 0.0008 0.0025 0.0029
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0182 0.5033 0.5859
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0342 0.4162
Loa Loa (eye worm) heterotrimeric G protein alpha subunit 0.0008 0.0025 0.0029
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0823 0.1249
Trichomonas vaginalis set domain proteins, putative 0.0237 0.6587 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0018 0.0308 0.1948
Schistosoma mansoni DNA polymerase eta 0.0019 0.0342 0.0342
Loa Loa (eye worm) hypothetical protein 0.0024 0.048 0.0559
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.1581 0.1581
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0342 0.4162
Loa Loa (eye worm) G protein alpha subunit 3 0.0008 0.0025 0.0029
Onchocerca volvulus 0.0036 0.0823 0.1249
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0342 0.4162
Echinococcus granulosus guanine nucleotide binding protein G protein 0.0008 0.0025 0.0025
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.048 0.0758
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.048 0.3034
Schistosoma mansoni GTP-binding protein (I) alpha-1subunit gnai1 0.0008 0.0025 0.0025
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0009 0.0062 0.0062
Brugia malayi MH1 domain containing protein 0.0009 0.0062 0.0072
Schistosoma mansoni GTP-binding protein alpha subunit gna 0.0008 0.0025 0.0025
Echinococcus granulosus dna polymerase eta 0.0019 0.0342 0.0342
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0656 0.0656
Echinococcus granulosus mothers against decapentaplegic 5 0.0009 0.0062 0.0062
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0306 0.859 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0182 0.5033 0.5033
Brugia malayi MH1 domain containing protein 0.0009 0.0062 0.0072
Schistosoma mansoni ferritin light chain 0.0008 0.0041 0.0041
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0656 0.0656
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0823 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0097 0.2581 0.2581
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.048 1
Loa Loa (eye worm) hypothetical protein 0.0008 0.0025 0.0029
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0182 0.5033 0.5033
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0339 0.0395
Echinococcus multilocularis smad 0.0009 0.0062 0.0062
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.0342 0.4162
Onchocerca volvulus 0.0008 0.0025 0.0038
Mycobacterium ulcerans lipase LipD 0.0036 0.0823 0.5203
Loa Loa (eye worm) MH2 domain-containing protein 0.0009 0.0062 0.0072
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0339 0.0395
Brugia malayi Guanine nucleotide-binding protein alpha-12 subunit, putative 0.0008 0.0025 0.0029
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.048 0.3034
Onchocerca volvulus 0.0008 0.0025 0.0038
Echinococcus granulosus tar DNA binding protein 0.0062 0.1579 0.1579
Loa Loa (eye worm) hypothetical protein 0.0036 0.0823 0.0958
Loa Loa (eye worm) GTP-binding regulatory protein alpha chain 0.0008 0.0025 0.0029
Loa Loa (eye worm) hypothetical protein 0.0018 0.0308 0.0359
Schistosoma mansoni GTP-binding protein (q) alpha-11 subunit gna11 0.0008 0.0025 0.0025
Leishmania major DNA polymerase kappa, putative 0.0019 0.0342 0.2166
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.0342 0.2166
Schistosoma mansoni smad1 5 8 and 0.0009 0.0062 0.0062
Loa Loa (eye worm) hypothetical protein 0.0127 0.3437 0.4002
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0823 0.5203
Schistosoma mansoni hypothetical protein 0.0097 0.2581 0.2581
Loa Loa (eye worm) hypothetical protein 0.0019 0.0342 0.0399
Loa Loa (eye worm) hypothetical protein 0.0036 0.0823 0.0958
Echinococcus granulosus ferritin 0.0008 0.0041 0.0041
Echinococcus multilocularis mothers against decapentaplegic 5 0.0009 0.0062 0.0062
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0339 0.7073
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.1579 0.1839
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0339 0.0536
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0342 0.4162
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0823 0.1249
Brugia malayi latrophilin 2 splice variant baaae 0.021 0.5809 0.6762
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0342 0.4162
Trichomonas vaginalis G protein (olf) alpha subunit, gnal, putative 0.0008 0.0025 0.0038
Brugia malayi hypothetical protein 0.0127 0.3437 0.4002
Plasmodium falciparum acyl-CoA synthetase 0.0018 0.0308 0.9078
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1579 0.1579
Trichomonas vaginalis GTP-binding protein (q) alpha-11 subunit, gna11, putative 0.0008 0.0025 0.0038
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0656 0.4147
Loa Loa (eye worm) RNA binding protein 0.0062 0.1579 0.1839
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.0342 0.0541
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.048 0.3034
Brugia malayi MH2 domain containing protein 0.0009 0.0062 0.0072
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0182 0.5033 0.5033
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0339 0.2146
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.0823 0.13
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.048 0.5831
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0342 0.0342
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.0342 0.052
Leishmania major hypothetical protein, conserved 0.0036 0.0823 0.5203
Schistosoma mansoni ferritin light chain 0.0008 0.0041 0.0041
Echinococcus multilocularis guanine nucleotide binding protein (G protein) 0.0008 0.0025 0.0025
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1579 0.1579
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0182 0.5033 0.5033
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0228 0.6331 1
Brugia malayi G-protein alpha subunit 0.0008 0.0025 0.0029
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0342 0.4162
Brugia malayi RNA binding protein 0.0062 0.1579 0.1839
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.048 0.3034
Trypanosoma brucei unspecified product 0.0019 0.0342 0.4162
Echinococcus granulosus expressed protein 0.0008 0.0041 0.0041
Echinococcus granulosus smad 0.0009 0.0062 0.0062
Loa Loa (eye worm) hypothetical protein 0.0097 0.2581 0.3005
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.048 0.3034
Mycobacterium ulcerans hypothetical protein 0.0036 0.0823 0.5203
Brugia malayi guanine nucleotide-binding protein alpha-3 subunit, putative 0.0008 0.0025 0.0029
Brugia malayi Latrophilin receptor protein 2 0.0097 0.2581 0.3005
Loa Loa (eye worm) hypothetical protein 0.0018 0.0308 0.0359
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.048 0.3034
Mycobacterium ulcerans bacterioferritin BfrA 0.0008 0.0041 0.0261
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0823 0.0823
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.0823 0.13
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0339 0.4125
Schistosoma mansoni smad 0.0009 0.0062 0.0062
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0339 0.0339
Loa Loa (eye worm) hypothetical protein 0.0024 0.048 0.0559
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0823 0.1249
Echinococcus granulosus gtp binding protein I alpha 1subunit 0.0008 0.0025 0.0025
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0342 0.0399
Echinococcus granulosus Smad4 0.0009 0.0062 0.0062
Loa Loa (eye worm) guanine nucleotide-binding protein alpha-6 subunit 0.0008 0.0025 0.0029
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0062 0.1581 0.1581
Echinococcus multilocularis dna polymerase eta 0.0019 0.0342 0.0342
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0008 0.0025 0.0025
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0656 0.0656
Schistosoma mansoni hypothetical protein 0.0097 0.2581 0.2581
Loa Loa (eye worm) hypothetical protein 0.0008 0.0025 0.0029
Brugia malayi TAR-binding protein 0.0062 0.1579 0.1839
Schistosoma mansoni ferritin 0.0008 0.0041 0.0041
Schistosoma mansoni smad1 5 8 and 0.0009 0.0062 0.0062
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0008 0.0025 0.0038
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0823 0.1249
Brugia malayi beta-lactamase 0.0036 0.0823 0.0958
Echinococcus multilocularis guanine nucleotide binding protein subunit 0.0008 0.0025 0.0025
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0097 0.2581 0.3005
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1579 0.1579
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0339 0.4125
Loa Loa (eye worm) hypothetical protein 0.0306 0.859 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0174 0.2118
Schistosoma mansoni ferritin 0.0008 0.0041 0.0041
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.0823 0.13
Echinococcus multilocularis GPCR, family 2 0.0097 0.2581 0.2581
Onchocerca volvulus 0.0008 0.0025 0.0038
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0182 0.5033 0.5033
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.0342 0.052
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.0008 0.0041 0.0065
Mycobacterium tuberculosis Conserved protein 0.0036 0.0823 0.13
Loa Loa (eye worm) TAR-binding protein 0.0062 0.1579 0.1839
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0339 1
Loa Loa (eye worm) Smad1 0.0009 0.0062 0.0072
Schistosoma mansoni GTP-binding protein (I) alpha-1subunit gnai1 0.0008 0.0025 0.0025
Toxoplasma gondii ABC1 family protein 0.0036 0.0823 0.5203
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0182 0.5033 0.5033
Onchocerca volvulus 0.0237 0.6587 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0339 1
Brugia malayi Pre-SET motif family protein 0.0208 0.5763 0.6709
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0342 0.0342
Schistosoma mansoni hypothetical protein 0.0097 0.2581 0.2581
Echinococcus granulosus dna polymerase kappa 0.0019 0.0342 0.0342
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0008 0.0025 0.0025
Schistosoma mansoni ap endonuclease 0.0019 0.0339 0.0339
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0008 0.0025 0.0038
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0062 0.1581 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.048 0.3034
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.048 0.0758
Echinococcus granulosus TGF beta signal transducer SmadC 0.0009 0.0062 0.0062
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0339 0.0515
Echinococcus multilocularis expressed protein 0.0008 0.0041 0.0041
Trichomonas vaginalis GTP-binding protein (z) alpha subunit, gnaz, putative 0.0008 0.0025 0.0038
Toxoplasma gondii exonuclease III APE 0.0019 0.0339 0.2146
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0339 0.4125
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0097 0.2581 0.2581
Onchocerca volvulus Huntingtin homolog 0.0127 0.3437 0.5218
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0342 0.0399
Trypanosoma brucei unspecified product 0.0013 0.0174 0.2118
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.0823 0.13
Brugia malayi hypothetical protein 0.0008 0.0025 0.0029
Mycobacterium ulcerans hypothetical protein 0.0024 0.048 0.3034
Schistosoma mansoni apoferritin-2 0.0008 0.0041 0.0041
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0009 0.0062 0.0062
Loa Loa (eye worm) hypothetical protein 0.0036 0.0823 0.0958
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0342 0.4162
Toxoplasma gondii aldehyde dehydrogenase 0.0062 0.1581 1
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.1581 0.1581
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.028 0.0443
Onchocerca volvulus 0.003 0.0656 0.0996
Brugia malayi Guanine nucleotide-binding protein alpha-3 subunit, putative 0.0008 0.0025 0.0029
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0823 0.5203
Brugia malayi Pre-SET motif family protein 0.003 0.0656 0.0763
Schistosoma mansoni GTP-binding protein alpha subunit gna 0.0008 0.0025 0.0025
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.028 0.0443
Loa Loa (eye worm) latrophilin receptor protein 2 0.0097 0.2581 0.3005
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.0308 0.5
Loa Loa (eye worm) hypothetical protein 0.0008 0.0025 0.0029
Entamoeba histolytica deoxycytidyl transferase, putative 0.0019 0.0342 0.7138
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0342 0.4162
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0097 0.2581 0.2581
Brugia malayi Guanine nucleotide-binding protein alpha-6 subunit, putative 0.0008 0.0025 0.0029
Echinococcus multilocularis guanine nucleotide binding protein subunit 0.0008 0.0025 0.0025
Brugia malayi guanine nucleotide-binding protein G(o), alpha subunit, putative 0.0008 0.0025 0.0029
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0174 0.2118
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0339 1
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0656 0.0656
Brugia malayi AMP-binding enzyme family protein 0.0024 0.048 0.0559
Loa Loa (eye worm) hypothetical protein 0.0024 0.048 0.0559
Brugia malayi MH2 domain containing protein 0.0009 0.0062 0.0072
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.048 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0342 0.4162
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.1581 1
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0823 1
Loa Loa (eye worm) guanine nucleotide-binding protein alpha-12 subunit 0.0008 0.0025 0.0029
Onchocerca volvulus 0.0036 0.0823 0.1249
Onchocerca volvulus 0.0036 0.0823 0.1249
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0174 0.2118
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0008 0.0025 0.0038
Brugia malayi Guanine nucleotide-binding protein alpha-3 subunit, putative 0.0008 0.0025 0.0029
Loa Loa (eye worm) transcription factor SMAD2 0.0134 0.3634 0.4231
Echinococcus granulosus guanine nucleotide binding protein subunit 0.0008 0.0025 0.0025
Plasmodium vivax SET domain protein, putative 0.003 0.0656 0.7971
Mycobacterium tuberculosis Conserved protein 0.0036 0.0823 0.13
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0182 0.5033 0.5859
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0342 0.4162
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.048 0.5831
Schistosoma mansoni hypothetical protein 0.0097 0.2581 0.2581
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0823 1
Echinococcus multilocularis ferritin 0.0008 0.0041 0.0041
Loa Loa (eye worm) hypothetical protein 0.0008 0.0025 0.0029
Schistosoma mansoni GTP-binding protein (q) alpha-11 subunit gna11 0.0008 0.0025 0.0025
Trypanosoma brucei unspecified product 0.0013 0.0174 0.2118
Loa Loa (eye worm) MH2 domain-containing protein 0.0134 0.3634 0.4231
Schistosoma mansoni smad1 5 8 and 0.0009 0.0062 0.0062
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0342 0.4162
Schistosoma mansoni GTP-binding protein (I) alpha subunit gnai 0.0008 0.0025 0.0025
Schistosoma mansoni trimeric G-protein alpha o subunit 0.0008 0.0025 0.0025
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.028 0.0443
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0342 0.4162
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0008 0.0025 0.0025
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.1579 0.1839
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1579 0.1579
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0342 0.4162
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0342 0.4162
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.048 0.3034
Schistosoma mansoni Smad4 0.0009 0.0062 0.0062
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0182 0.5033 0.5033
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.0008 0.0041 0.0502
Loa Loa (eye worm) beta-lactamase 0.0036 0.0823 0.0958
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0306 0.859 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0308 0.0359
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0062 0.1581 0.1581
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0823 0.0823
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0342 0.4162
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0656 0.0656
Loa Loa (eye worm) hypothetical protein 0.0036 0.0823 0.0958
Entamoeba histolytica G protein alpha subunit, putative 0.0008 0.0025 0.0528
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0062 0.1581 0.2498
Echinococcus multilocularis tar DNA binding protein 0.0062 0.1579 0.1579
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0342 0.2166
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0656 0.0656
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0339 0.0339
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.0823 0.13
Onchocerca volvulus 0.0024 0.048 0.0728
Schistosoma mansoni apoferritin-2 0.0008 0.0041 0.0041
Loa Loa (eye worm) hypothetical protein 0.0018 0.0308 0.0359
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.0823 0.13
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0823 0.0958
Loa Loa (eye worm) MH1 domain-containing protein 0.0009 0.0062 0.0072
Mycobacterium tuberculosis Bacterioferritin BfrB 0.0008 0.0041 0.0065
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0823 0.0823
Trichomonas vaginalis esterase, putative 0.0036 0.0823 0.1249
Schistosoma mansoni hypothetical protein 0.021 0.5809 0.5809
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0342 0.2166
Brugia malayi AMP-binding enzyme family protein 0.0024 0.048 0.0559
Schistosoma mansoni ferritin 0.0008 0.0041 0.0041
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0342 0.4162
Schistosoma mansoni GTP-binding protein alpha subunit 0.0008 0.0025 0.0025
Leishmania major DNA polymerase eta, putative 0.0019 0.0342 0.2166
Schistosoma mansoni ferritin 0.0008 0.0041 0.0041
Echinococcus granulosus guanine nucleotide binding protein subunit 0.0008 0.0025 0.0025
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.048 0.3034
Echinococcus granulosus expressed protein 0.0008 0.0025 0.0025
Schistosoma mansoni ap endonuclease 0.0019 0.0339 0.0339
Mycobacterium tuberculosis Conserved protein 0.0036 0.0823 0.13
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0823 0.1249
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1579 0.1579
Brugia malayi beta-lactamase family protein 0.0036 0.0823 0.0958
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0308 0.0487
Brugia malayi Smad1 0.0009 0.0062 0.0072
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.028 0.0443
Schistosoma mansoni GTP-binding protein alpha subunit 0.0008 0.0025 0.0025
Echinococcus multilocularis gtp binding protein (I) alpha 1subunit 0.0008 0.0025 0.0025
Loa Loa (eye worm) hypothetical protein 0.021 0.5809 0.6762
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.1581 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 1.48 microg/ml Cytotoxicity against human HeLa cells after 48 hrs by SRB assay ChEMBL. 19932530
IC50 (functional) = 1.61 microg/ml Cytotoxicity against human MCF7 cells after 48 hrs by SRB assay ChEMBL. 19932530

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 19932530

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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