Detailed information for compound 1576679

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 386.471 | Formula: C18H22N6O2S
  • H donors: 1 H acceptors: 3 LogP: 2.99 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(c1snc(n1)n1cncc1)CCCNCCc1ccc2c(c1)OCO2
  • InChi: 1S/C18H22N6O2S/c1-23(18-21-17(22-27-18)24-10-8-20-12-24)9-2-6-19-7-5-14-3-4-15-16(11-14)26-13-25-15/h3-4,8,10-12,19H,2,5-7,9,13H2,1H3
  • InChiKey: JSASQCYGFSWXTP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nitric oxide synthase 2, inducible Starlite/ChEMBL References

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
Leishmania major phosphopantetheinyl transferase-like protein 0.0023 0.0031 0.2206
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0068 0.0068
Schistosoma mansoni cpg binding protein 0.0032 0.0057 0.0057
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0019 0.0063
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0018 0.0014 0.0014
Echinococcus granulosus EGFP:Bcl2 fusion protein 0.0082 0.0205 0.0205
Trichomonas vaginalis rotamase, putative 0.0033 0.006 0.0517
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0023 0.0031 0.0185
Echinococcus granulosus epidermal growth factor receptor 0.0058 0.0134 0.0134
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0061 0.0142 0.0142
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0019 0.1356
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0061 0.014 0.014
Brugia malayi Bromodomain containing protein 0.0076 0.0187 0.0187
Loa Loa (eye worm) hypothetical protein 0.007 0.0169 0.017
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0019 0.0019
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0061 0.014 0.014
Onchocerca volvulus 0.0029 0.0047 0.1152
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0058 0.0134 0.0134
Trypanosoma brucei DNA topoisomerase ii 0.0061 0.014 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0068 0.0068
Echinococcus multilocularis expressed protein 0.0033 0.006 0.006
Schistosoma mansoni bcl-2 homologous antagonist/killer (bak) 0.0082 0.0205 0.0205
Treponema pallidum fructose-bisphosphate aldolase 0.0291 0.0817 0.4779
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0023 0.0031 0.0185
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0142 0.038 0.2268
Schistosoma mansoni bromodomain containing protein 0.0065 0.0152 0.0152
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0188 0.0514 0.307
Echinococcus granulosus histone lysine methyltransferase setb 0.0018 0.0014 0.0014
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.006 0.0517
Loa Loa (eye worm) hypothetical protein 0.0061 0.014 0.0141
Toxoplasma gondii DNA topoisomerase 2, putative 0.0061 0.014 0.0838
Brugia malayi Apoptosis regulator proteins, Bcl-2 family protein 0.0082 0.0205 0.0205
Loa Loa (eye worm) STE/STE11/ASK protein kinase 0.1035 0.3 0.3004
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0023 0.0031 0.0185
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.0033 0.0033
Plasmodium falciparum DNA gyrase subunit A 0.0584 0.1675 1
Echinococcus granulosus methionine synthase reductase 0.002 0.0021 0.0021
Brugia malayi FAD binding domain containing protein 0.0032 0.0057 0.0057
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0142 0.038 0.2268
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0019 0.0114
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0061 0.014 0.014
Loa Loa (eye worm) hypothetical protein 0.0018 0.0014 0.0014
Echinococcus multilocularis dna polymerase eta 0.0045 0.0094 0.0094
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0019 0.0114
Mycobacterium leprae Probable DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) 0.0278 0.0779 1
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0019 0.0019
Schistosoma mansoni hypothetical protein 0.0082 0.0205 0.0205
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0142 0.038 0.4877
Echinococcus granulosus expressed protein 0.0033 0.006 0.006
Loa Loa (eye worm) hypothetical protein 0.0045 0.0094 0.0094
Plasmodium vivax DNA gyrase subunit A, putative 0.0584 0.1675 1
Trypanosoma brucei unspecified product 0.0013 0.0002 0.011
Leishmania major cytochrome P450 reductase, putative 0.0029 0.0047 0.3317
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0061 0.014 0.3475
Schistosoma mansoni glutaminase 0.0272 0.0762 0.0762
Schistosoma mansoni tyrosine kinase 0.0057 0.0131 0.0131
Loa Loa (eye worm) apoptosis regulator protein 0.0082 0.0205 0.0205
Brugia malayi flavodoxin family protein 0.0032 0.0057 0.0057
Loa Loa (eye worm) hypothetical protein 0.0041 0.0082 0.0082
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0019 0.0019
Echinococcus multilocularis methionine synthase reductase 0.002 0.0021 0.0021
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 0.0817 1
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0032 0.0057 0.0342
Leishmania major DNA polymerase eta, putative 0.0031 0.0055 0.3887
Trypanosoma brucei DNA topoisomerase II alpha, putative 0.0061 0.014 1
Chlamydia trachomatis sulfite reductase 0.002 0.0021 0.0126
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0019 0.1356
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0002 0.011
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0061 0.014 0.0468
Loa Loa (eye worm) bromodomain containing protein 0.0018 0.0014 0.0014
Trichomonas vaginalis glutaminase, putative 0.0272 0.0762 0.9307
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.1035 0.3 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0019 0.0063
Loa Loa (eye worm) hypothetical protein 0.0044 0.0092 0.0092
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.0019 0.1356
Echinococcus granulosus epidermal growth factor receptor 0.0058 0.0134 0.0134
Echinococcus multilocularis insulin receptor 0.0128 0.0339 0.0339
Echinococcus granulosus insulin receptor 0.0128 0.0339 0.0339
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0083 0.0206 0.0206
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0083 0.0206 0.0206
Echinococcus granulosus dnaJ subfamily B 0.0407 0.1158 0.1158
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0032 0.0058 0.4127
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0023 0.0023
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0032 0.0057 0.0191
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0188 0.0514 0.307
Schistosoma mansoni diflavin oxidoreductase 0.0016 0.001 0.001
Trypanosoma cruzi ISWI complex protein 0.0015 0.0007 0.0025
Schistosoma mansoni tyrosine kinase 0.0128 0.0339 0.0339
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0188 0.0514 0.6601
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0023 0.0031 0.0185
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 0.0817 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0075 0.0075
Loa Loa (eye worm) hypothetical protein 0.0083 0.0206 0.0206
Loa Loa (eye worm) glutaminase 2 0.0272 0.0762 0.0763
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.0032 0.0057 0.0191
Trichomonas vaginalis DNA topoisomerase II, putative 0.0061 0.014 0.1522
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.0082 0.0205 0.0205
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0019 0.0019
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 0.0817 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0018 0.0014 0.0014
Loa Loa (eye worm) hypothetical protein 0.0032 0.0057 0.0057
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.0019 0.0114
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0019 0.0114
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0019 0.0019
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.0033 0.0033
Plasmodium vivax flavodoxin domain containing protein 0.0029 0.0047 0.0278
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0019 0.0019
Schistosoma mansoni NADPH flavin oxidoreductase 0.0016 0.001 0.001
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0012 0.0012
Echinococcus granulosus zinc finger protein 0.0021 0.0025 0.0025
Echinococcus multilocularis epidermal growth factor receptor 0.0058 0.0134 0.0134
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0032 0.0057 0.0191
Brugia malayi Furin-like cysteine rich region family protein 0.0058 0.0134 0.0134
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.342 1 1
Brugia malayi Protein kinase domain containing protein 0.0128 0.0339 0.0339
Echinococcus multilocularis 0.0017 0.0012 0.0012
Schistosoma mansoni protein kinase 0.342 1 1
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.1035 0.3 1
Trypanosoma brucei unspecified product 0.0019 0.0019 0.1356
Toxoplasma gondii flavodoxin domain-containing protein 0.0016 0.001 0.0058
Mycobacterium leprae conserved hypothetical protein 0.0023 0.0031 0.0398
Loa Loa (eye worm) hypothetical protein 0.103 0.2985 0.2989
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0019 0.1356
Loa Loa (eye worm) hypothetical protein 0.0061 0.014 0.0141
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0019 0.0063
Trypanosoma cruzi DNA polymerase eta, putative 0.0045 0.0094 0.0312
Mycobacterium ulcerans DNA gyrase subunit A 0.0584 0.1675 1
Leishmania major p450 reductase, putative 0.0032 0.0057 0.4084
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0061 0.0142 0.0142
Chlamydia trachomatis enoyl-acyl-carrier protein reductase 0.0188 0.0514 0.307
Mycobacterium ulcerans glutaminase 0.0272 0.0762 0.4546
Loa Loa (eye worm) hypothetical protein 0.3415 0.9985 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0019 0.0063
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 0.0817 1
Plasmodium falciparum nitric oxide synthase, putative 0.0032 0.0057 0.0342
Trichomonas vaginalis hypothetical protein 0.0188 0.0514 0.6207
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0291 0.0817 1
Brugia malayi glutaminase DH11.1 0.0272 0.0762 0.0762
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.342 1 1
Giardia lamblia Hypothetical protein 0.0029 0.0047 0.0345
Trypanosoma cruzi DNA topoisomerase II, putative 0.0061 0.014 0.0468
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0019 0.1356
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0128 0.0339 0.0339
Schistosoma mansoni cpg binding protein 0.0032 0.0057 0.0057
Entamoeba histolytica hypothetical protein 0.0023 0.0031 0.0379
Schistosoma mansoni cytochrome P450 reductase 0.0032 0.0057 0.0057
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 0.0817 1
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0061 0.014 0.014
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0061 0.0141 0.0141
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 0.0817 1
Loa Loa (eye worm) TOPoisomerase family member 0.0061 0.014 0.0141
Mycobacterium tuberculosis DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.0584 0.1675 1
Wolbachia endosymbiont of Brugia malayi DNA gyrase subunit A 0.0584 0.1675 1
Giardia lamblia Nitric oxide synthase, inducible 0.0029 0.0047 0.0345
Echinococcus granulosus NADPH cytochrome P450 reductase 0.0032 0.0057 0.0057
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0019 0.1356
Loa Loa (eye worm) TK/INSR protein kinase 0.0128 0.0339 0.0339
Trypanosoma brucei ISWI complex protein 0.0015 0.0007 0.0524
Leishmania major DNA topoisomerase ii 0.0061 0.014 1
Toxoplasma gondii peptidylprolyl isomerase 0.0032 0.0058 0.0346
Schistosoma mansoni tyrosine kinase 0.0057 0.0131 0.0131
Toxoplasma gondii DNA gyrase/topoisomerase IV, A subunit domain-containing protein 0.0584 0.1675 1
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0031 0.0055 0.0326
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0188 0.0514 0.307
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.0032 0.0057 0.0342
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0032 0.0057 0.0057
Plasmodium vivax DNA topoisomerase II, putative 0.0061 0.014 0.0838
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0032 0.0057 0.0057
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0019 0.1356
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0018 0.0014 0.0014
Brugia malayi ImpB/MucB/SamB family protein 0.0045 0.0094 0.0094
Chlamydia trachomatis DNA gyrase subunit A 0.0584 0.1675 1
Loa Loa (eye worm) glutaminase 0.0272 0.0762 0.0763
Plasmodium falciparum DNA topoisomerase 2 0.0061 0.014 0.0838
Schistosoma mansoni tyrosine kinase 0.0058 0.0134 0.0134
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0033 0.006 0.006
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0032 0.0058 0.4127
Schistosoma mansoni cpg binding protein 0.0029 0.0047 0.0047
Schistosoma mansoni apoptosis regulator bax 0.0082 0.0205 0.0205
Brugia malayi Bromodomain containing protein 0.0038 0.0075 0.0075
Loa Loa (eye worm) FAD binding domain-containing protein 0.0032 0.0057 0.0057
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.0012 0.0012
Entamoeba histolytica DNA topoisomerase II, putative 0.0061 0.014 0.172
Schistosoma mansoni DNA topoisomerase II 0.0061 0.014 0.014
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0019 0.1356
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0033 0.006 0.006
Schistosoma mansoni 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.002 0.0021 0.0021
Schistosoma mansoni hypothetical protein 0.0021 0.0023 0.0023
Brugia malayi Protein kinase domain containing protein 0.0071 0.0171 0.0171
Schistosoma mansoni rotamase 0.0033 0.006 0.006
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0023 0.0031 0.0185
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0188 0.0514 0.307
Trichomonas vaginalis NADPH fad oxidoreductase, putative 0.0029 0.0047 0.0345
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0128 0.0339 0.0339
Schistosoma mansoni hypothetical protein 0.0082 0.0205 0.0205
Leishmania major DNA polymerase kappa, putative 0.0019 0.0019 0.1356
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0032 0.0057 0.0057
Onchocerca volvulus 0.015 0.0404 1
Leishmania major mitochondrial DNA topoisomerase II 0.0061 0.014 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 0.0817 1
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0032 0.0057 0.4084
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0023 0.0031 0.0185
Trypanosoma brucei DNA topoisomerase II beta, putative 0.0061 0.014 1
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.0012 0.0012
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0032 0.0058 0.0193
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0032 0.0058 0.0193
Schistosoma mansoni DNA polymerase eta 0.0045 0.0094 0.0094
Trypanosoma cruzi DNA topoisomerase II, putative 0.0061 0.014 0.0468
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.0082 0.0205 0.0205
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0019 0.1356
Schistosoma mansoni zinc finger protein 0.0021 0.0025 0.0025
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0019 0.0019
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0061 0.014 0.0468
Loa Loa (eye worm) hypothetical protein 0.007 0.0168 0.0168
Brugia malayi Probable DNA topoisomerase II 0.0061 0.014 0.014
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0188 0.0514 0.307
Brugia malayi CXXC zinc finger family protein 0.0029 0.0047 0.0047
Schistosoma mansoni hypothetical protein 0.0082 0.0205 0.0205
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0032 0.0058 0.071
Echinococcus multilocularis epidermal growth factor receptor 0.0058 0.0134 0.0134
Entamoeba histolytica deoxycytidyl transferase, putative 0.0019 0.0019 0.0233
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0019 0.1356
Loa Loa (eye worm) hypothetical protein 0.0082 0.0205 0.0205
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.0082 0.0205 0.0205
Toxoplasma gondii histone lysine methyltransferase SET1 0.0057 0.0129 0.0768
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.0033 0.0033
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0019 0.1356
Schistosoma mansoni tyrosine kinase 0.0058 0.0134 0.0134
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0002 0.011
Schistosoma mansoni tyrosine kinase 0.0057 0.0131 0.0131
Echinococcus granulosus dna polymerase eta 0.0045 0.0094 0.0094
Echinococcus granulosus cpg binding protein 0.0032 0.0057 0.0057
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0002 0.011
Trypanosoma brucei unspecified product 0.0013 0.0002 0.011
Trypanosoma brucei NADPH-dependent diflavin oxidoreductase 1 0.0032 0.0057 0.4084
Onchocerca volvulus 0.0083 0.0206 0.5087
Trypanosoma brucei hypothetical protein, conserved 0.0023 0.0031 0.2206
Leishmania major hypothetical protein, conserved 0.0015 0.0007 0.0524
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0019 0.1356
Giardia lamblia Fructose-bisphosphate aldolase 0.0291 0.0817 1
Plasmodium falciparum enoyl-acyl carrier reductase 0.0188 0.0514 0.307
Echinococcus granulosus L aminoadipate semialdehyde 0.0083 0.0206 0.0206
Schistosoma mansoni protein kinase 0.342 1 1
Echinococcus multilocularis cpg binding protein 0.0032 0.0057 0.0057
Echinococcus granulosus dna polymerase kappa 0.0019 0.0019 0.0019
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 0.0817 1
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0012 0.0012
Brugia malayi FAD binding domain containing protein 0.002 0.0021 0.0021
Echinococcus multilocularis dnaJ subfamily B 0.0407 0.1158 0.1158
Toxoplasma gondii flavodoxin domain-containing protein 0.0016 0.001 0.0058
Leishmania major DNA polymerase eta, putative 0.0045 0.0094 0.6656
Loa Loa (eye worm) hypothetical protein 0.015 0.0404 0.0405
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0019 0.1356
Treponema pallidum DNA gyrase, subunit A (gyrA) 0.0584 0.1675 1
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0023 0.0031 0.0185
Trypanosoma brucei DNA polymerase eta, putative 0.0045 0.0094 0.6656
Schistosoma mansoni hypothetical protein 0.0407 0.1158 0.1158
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0047 0.0047
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0291 0.0817 1
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0032 0.0057 0.4084
Trichomonas vaginalis rotamase, putative 0.0032 0.0058 0.0488
Brugia malayi hypothetical protein 0.015 0.0404 0.0404
Echinococcus multilocularis zinc finger protein 0.0021 0.0025 0.0025
Schistosoma mansoni hypothetical protein 0.0015 0.0007 0.0007
Chlamydia trachomatis DNA gyrase subunit A 0.0061 0.014 0.0838
Brugia malayi PHD-finger family protein 0.0026 0.004 0.004
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0023 0.0031 0.0185
Trypanosoma cruzi p450 reductase, putative 0.0032 0.0057 0.0191
Trichomonas vaginalis sulfite reductase, putative 0.0032 0.0057 0.048
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0023 0.0031 0.0185
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0032 0.0057 0.4084
Schistosoma mansoni tyrosine kinase 0.0058 0.0134 0.0134
Loa Loa (eye worm) TK/EGFR protein kinase 0.0058 0.0134 0.0134
Trypanosoma cruzi ISWI complex protein 0.0015 0.0007 0.0025
Loa Loa (eye worm) FAD binding domain-containing protein 0.002 0.0021 0.0021
Schistosoma mansoni zinc finger protein 0.0015 0.0007 0.0007
Echinococcus multilocularis L aminoadipate semialdehyde 0.0083 0.0206 0.0206
Giardia lamblia DNA topoisomerase II 0.0061 0.014 0.1522
Trypanosoma cruzi DNA polymerase eta, putative 0.0031 0.0055 0.0182
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0061 0.014 0.3475
Trypanosoma brucei NADPH-cytochrome p450 reductase, putative 0.0032 0.0057 0.4084
Schistosoma mansoni tyrosine kinase 0.0128 0.0339 0.0339
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0019 0.1356
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0061 0.014 0.3475

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) = 0.23 uM Inhibition of human iNOS expressed in human HEK293 cells assessed as nitrite accumulation after 18 hrs by 2,3-diaminonapthalene assay ChEMBL. 21986586
EC50 (binding) = 47 uM Inhibition of human nNOS expressed in HEK293 cells assessed as inhibition ionomycin-induced nitric oxide production incubated for 24 hrs measured after 18 hrs of ionomycin challenge by 2,3-diaminonaphthalene assay ChEMBL. 21986586
EC50 (binding) > 100 uM Inhibition of human eNOS expressed in HEK293 cells assessed as inhibition A23187-induced nitric oxide production incubated for 24 hrs measured after 18 hrs of A23187 challenge by 2,3-diaminonaphthalene assay ChEMBL. 21986586
Inhibition (binding) < 50 % Inhibition of human eNOS expressed in HEK293 cells assessed as inhibition A23187-induced nitric oxide production at 100 uM incubated for 24 hrs measured after 18 hrs of A23187 challenge by 2,3-diaminonaphthalene assay ChEMBL. 21986586

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.