Detailed information for compound 1112483

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 400.26 | Formula: C16H19Cl2N5O3
  • H donors: 2 H acceptors: 2 LogP: 3.64 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(OC(C)(C)C)/N=C(\NC1=NC(=O)CN1C)/Nc1ccc(c(c1)Cl)Cl
  • InChi: 1S/C16H19Cl2N5O3/c1-16(2,3)26-15(25)22-13(21-14-20-12(24)8-23(14)4)19-9-5-6-10(17)11(18)7-9/h5-7H,8H2,1-4H3,(H2,19,20,21,22,24,25)
  • InChiKey: LCVBOKNFCIQQPE-UHFFFAOYSA-N  

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
Echinococcus multilocularis Carboxy terminal domain RNA polymerase II 0.0012 0.0199 0.013
Loa Loa (eye worm) hypothetical protein 0.0055 0.3451 0.3451
Toxoplasma gondii phosphofructokinase PFKII 0.003 0.1504 0.3021
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0086 0.5822 0.7633
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0025 0.1147 0.224
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0141 1 1
Trypanosoma cruzi small ubiquitin protein, putative 0.0031 0.1605 0.1877
Echinococcus granulosus Chromobox protein 3 0.0011 0.0122 0.0052
Schistosoma mansoni DNA ligase I 0.0024 0.1083 0.1083
Entamoeba histolytica deoxycytidyl transferase, putative 0.0057 0.3579 0.4655
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0055 0.3451 0.3451
Trichomonas vaginalis 6-phosphofructokinase, putative 0.003 0.1504 0.1902
Trichomonas vaginalis nuclear lim interactor-interacting factor, putative 0.0012 0.0199 0.0171
Echinococcus granulosus flap endonuclease 1 0.0025 0.1168 0.1105
Echinococcus multilocularis G protein coupled receptor kinase 1 0.0084 0.5632 0.5601
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0109 0.7606 1
Trichomonas vaginalis nuclear lim interactor-interacting factor, putative 0.0012 0.0199 0.0171
Brugia malayi hypothetical protein 0.0011 0.0122 0.0122
Giardia lamblia DINP protein human, muc B family 0.0064 0.4135 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.0634 0.0577
Trypanosoma brucei DNA polymerase kappa, putative 0.0086 0.5822 0.7509
Trichomonas vaginalis Heterochromatin protein, putative 0.0011 0.0122 0.0068
Trypanosoma brucei DNA polymerase kappa, putative 0.0086 0.5822 0.7509
Toxoplasma gondii Dullard family phosphatase domain-containing protein 0.0012 0.0199 0.0171
Trypanosoma cruzi DNA ligase I, putative 0.0024 0.1083 0.118
Trypanosoma brucei DNA polymerase kappa, putative 0.0064 0.4135 0.5256
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.1605 0.2036
Plasmodium falciparum NLI interacting factor-like phosphatase, putative 0.0012 0.0199 0.0521
Trypanosoma cruzi DNA polymerase eta, putative 0.0071 0.4698 0.6009
Entamoeba histolytica phosphofructokinase, putative 0.0109 0.7606 1
Schistosoma mansoni hypothetical protein 0.0017 0.0576 0.0576
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0576 0.0576
Schistosoma mansoni DNA ligase I 0.0024 0.1083 0.1083
Onchocerca volvulus 0.0011 0.0122 0.0214
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0064 0.4135 0.5256
Schistosoma mansoni hypothetical protein 0.0017 0.0576 0.0576
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0634 0.0634
Onchocerca volvulus 0.0031 0.16 0.6355
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0141 1 1
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0576 0.0576
Loa Loa (eye worm) SMO-1 protein 0.0031 0.1605 0.1605
Trichomonas vaginalis dullard protein, putative 0.0012 0.0199 0.0171
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0011 0.0122 0.0068
Schistosoma mansoni DNA ligase IV 0.0011 0.0121 0.0121
Echinococcus granulosus chromobox protein 1 0.007 0.4604 0.4566
Plasmodium vivax small ubiquitin-related modifier, putative 0.0031 0.1605 1
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0025 0.1168 0.2287
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0057 0.3579 0.3533
Brugia malayi Ubiquitin-like protein SMT3 0.0031 0.1605 0.1605
Trypanosoma brucei DNA polymerase kappa, putative 0.0046 0.279 0.346
Echinococcus granulosus DNA ligase 3 0.0011 0.0121 0.0051
Echinococcus multilocularis GPCR, family 2 0.0017 0.0576 0.0509
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0576 0.0509
Loa Loa (eye worm) hypothetical protein 0.0047 0.2833 0.2833
Plasmodium vivax NLI interacting factor-like phosphatase, putative 0.0012 0.0199 0.0521
Trichomonas vaginalis DNA polymerase eta, putative 0.0086 0.5822 0.7633
Entamoeba histolytica Flap nuclease, putative 0.0025 0.1168 0.1456
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0011 0.0122 0.0068
Trypanosoma cruzi DNA polymerase kappa, putative 0.0086 0.5822 0.7509
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0011 0.0122 0.0068
Trypanosoma brucei DNA polymerase kappa, putative 0.0046 0.279 0.346
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0141 1 1
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.003 0.1504 0.1248
Trypanosoma brucei DNA polymerase IV, putative 0.0086 0.5822 0.7509
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.003 0.1504 0.9319
Onchocerca volvulus DNA ligase 3 homolog 0.0011 0.0121 0.021
Entamoeba histolytica DNA ligase, putative 0.0024 0.1083 0.1344
Onchocerca volvulus 0.0011 0.0122 0.0214
Loa Loa (eye worm) helicase 0.0011 0.0122 0.0122
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.212 0.212
Trypanosoma brucei DNA polymerase kappa, putative 0.0086 0.5822 0.7509
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.1372 0.1727
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0634 0.0747
Trichomonas vaginalis conserved hypothetical protein 0.0011 0.0122 0.0068
Loa Loa (eye worm) hypothetical protein 0.0011 0.0122 0.0122
Trichomonas vaginalis conserved hypothetical protein 0.0011 0.0122 0.0068
Echinococcus multilocularis Chromo domain 0.0011 0.0122 0.0052
Loa Loa (eye worm) hypothetical protein 0.0011 0.0122 0.0122
Echinococcus multilocularis dna polymerase kappa 0.0086 0.5822 0.5792
Giardia lamblia Flap structure-specific endonuclease 0.0025 0.1168 0.2461
Trichomonas vaginalis chromobox protein, putative 0.0042 0.2477 0.3194
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0576 0.0509
Echinococcus granulosus chromobox protein 1 0.007 0.4604 0.4566
Schistosoma mansoni terminal deoxycytidyl transferase 0.0057 0.3579 0.3579
Echinococcus multilocularis dna polymerase eta 0.011 0.7687 0.7671
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.003 0.1504 0.5
Trypanosoma cruzi DNA polymerase eta, putative 0.011 0.7687 1
Entamoeba histolytica phosphofructokinase, putative 0.0109 0.7606 1
Toxoplasma gondii chromodomain helicase DNA binding protein CHD1/SWI2/SNF2 0.0011 0.0122 0.0002
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.2477 1
Trypanosoma brucei unspecified product 0.0039 0.2234 0.2717
Trichomonas vaginalis conserved hypothetical protein 0.0011 0.0122 0.0068
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.1504 0.1902
Toxoplasma gondii 'chromo' (CHRromatin Organization MOdifier) domain-containing protein 0.0011 0.0122 0.0002
Schistosoma mansoni flap endonuclease-1 0.0023 0.0983 0.0983
Trichomonas vaginalis conserved hypothetical protein 0.0011 0.0122 0.0068
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0093 0.637 0.637
Trichomonas vaginalis dullard protein, putative 0.0012 0.0199 0.0171
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0011 0.0122 0.0068
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0109 0.7606 0.9892
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0011 0.0122 0.0122
Trichomonas vaginalis phosphofructokinase, putative 0.0109 0.7606 1
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.2249 0.2891
Trichomonas vaginalis dullard protein, putative 0.0012 0.0199 0.0171
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0011 0.0122 0.0052
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0576 0.0576
Trypanosoma brucei DNA polymerase kappa, putative 0.0086 0.5822 0.7509
Echinococcus multilocularis Small ubiquitin modifier 2 0.0031 0.1605 0.1545
Brugia malayi SET domain containing protein 0.0011 0.0122 0.0122
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0011 0.0122 0.0122
Trypanosoma brucei DNA polymerase kappa, putative 0.0046 0.279 0.346
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.1504 0.1902
Plasmodium falciparum flap endonuclease 1 0.0025 0.1168 0.7054
Loa Loa (eye worm) heterochromatin protein 1 0.007 0.4604 0.4604
Loa Loa (eye worm) hypothetical protein 0.0011 0.0122 0.0122
Trichomonas vaginalis conserved hypothetical protein 0.0011 0.0122 0.0068
Schistosoma mansoni serine/threonine protein kinase 0.0093 0.637 0.637
Plasmodium falciparum small ubiquitin-related modifier 0.0031 0.1605 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0634 0.0567
Loa Loa (eye worm) hypothetical protein 0.0012 0.0188 0.0188
Leishmania major small ubiquitin protein, putative 0.0031 0.1605 0.1877
Echinococcus multilocularis chromobox protein 1 0.007 0.4604 0.4566
Schistosoma mansoni 6-phosphofructokinase 0.0109 0.7606 0.7606
Giardia lamblia Sentrin 0.0031 0.1605 0.3571
Trypanosoma brucei DNA polymerase IV, putative 0.0086 0.5822 0.7509
Toxoplasma gondii 6-phosphofructokinase 0.003 0.1504 0.3021
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0109 0.7606 1
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.1504 0.1902
Trichomonas vaginalis flap endonuclease-1, putative 0.0025 0.1168 0.1456
Trypanosoma cruzi DNA polymerase kappa, putative 0.0086 0.5822 0.7509
Leishmania major DNA polymerase kappa, putative 0.0018 0.059 0.0522
Trypanosoma cruzi DNA polymerase kappa, putative 0.0086 0.5822 0.7509
Echinococcus granulosus 6 phosphofructokinase 0.0109 0.7606 0.7589
Loa Loa (eye worm) hypothetical protein 0.0011 0.0122 0.0122
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0018 0.0634 0.0747
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.003 0.1504 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0086 0.5822 0.7509
Brugia malayi M-phase phosphoprotein, mpp8 0.0011 0.0122 0.0122
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0011 0.0122 0.0122
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.0634 0.058
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0039 0.2249 0.9052
Loa Loa (eye worm) hypothetical protein 0.0031 0.16 0.16
Entamoeba histolytica hypothetical protein 0.0011 0.0122 0.0068
Brugia malayi phosphofructokinase 0.0109 0.7606 0.7606
Loa Loa (eye worm) flap endonuclease-1 0.0025 0.1168 0.1168
Echinococcus granulosus dna polymerase eta 0.011 0.7687 0.7671
Echinococcus granulosus Carboxy terminal domain RNA polymerase II 0.0012 0.0199 0.013
Brugia malayi ImpB/MucB/SamB family protein 0.011 0.7687 0.7687
Echinococcus granulosus Small ubiquitin modifier 2 0.0031 0.1605 0.1545
Plasmodium vivax 6-phosphofructokinase, putative 0.003 0.1504 0.9319
Echinococcus multilocularis hypothetical protein 0.0011 0.0121 0.0051
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.2833 0.3518
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0011 0.0122 0.0122
Brugia malayi Type III restriction enzyme, res subunit family protein 0.0011 0.0122 0.0122
Trypanosoma brucei hypothetical protein, conserved 0.0018 0.059 0.0522
Loa Loa (eye worm) hypothetical protein 0.0011 0.0122 0.0122
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0057 0.3579 0.3579
Trypanosoma brucei DNA polymerase kappa, putative 0.0086 0.5822 0.7509
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0109 0.7606 0.9892
Trichomonas vaginalis conserved hypothetical protein 0.0011 0.0122 0.0068
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0634 0.3451
Echinococcus multilocularis chromobox protein 1 0.007 0.4604 0.4566
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0011 0.0122 0.0068
Plasmodium vivax 6-phosphofructokinase, putative 0.003 0.1504 0.9319
Echinococcus granulosus chromobox protein 2 0.0011 0.0122 0.0052
Loa Loa (eye worm) 6-phosphofructokinase 0.0109 0.7606 0.7606
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0018 0.059 0.1024
Entamoeba histolytica ubiquitin like protein 0.0031 0.1605 0.2036
Toxoplasma gondii exonuclease III APE 0.0018 0.0634 0.112
Brugia malayi Carboxy-terminal domain RNA polymerase II polypeptide A smallphosphatase 1 0.0012 0.0199 0.0199
Trypanosoma brucei DNA damage repair protein, putative 0.0018 0.059 0.0522
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0634 0.0634
Echinococcus granulosus chromodomain helicase DNA binding protein 1 0.0011 0.0122 0.0052
Schistosoma mansoni chromobox protein 0.0011 0.0122 0.0122
Echinococcus multilocularis DNA ligase 3 0.0011 0.0121 0.0051
Brugia malayi 6-phosphofructokinase 0.0109 0.7606 0.7606
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0634 0.3451
Toxoplasma gondii phosphofructokinase domain-containing protein 0.003 0.1504 0.3021
Trypanosoma brucei unspecified product 0.0039 0.2234 0.2717
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0141 1 1
Echinococcus multilocularis chromobox protein 2 0.0011 0.0122 0.0052
Plasmodium vivax flap endonuclease 1, putative 0.0025 0.1168 0.7054
Echinococcus granulosus dna ligase 4 0.0011 0.0121 0.0051
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0576 0.0509
Echinococcus granulosus G protein coupled receptor kinase 1 0.0084 0.5632 0.5601
Schistosoma mansoni nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if) 0.0012 0.0199 0.0199
Trypanosoma brucei unspecified product 0.0079 0.5265 0.6766
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0011 0.0122 0.0068
Schistosoma mansoni hypothetical protein 0.0017 0.0576 0.0576
Leishmania major DNA damage repair protein, putative 0.0018 0.059 0.0522
Plasmodium vivax DNA ligase I, putative 0.0024 0.1083 0.6482
Schistosoma mansoni serine/threonine protein kinase 0.0093 0.637 0.637
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0011 0.0122 0.0068
Schistosoma mansoni ap endonuclease 0.0018 0.0634 0.0634
Brugia malayi Valyl-tRNA synthetase 0.0011 0.0122 0.0122
Loa Loa (eye worm) phosphofructokinase 0.0109 0.7606 0.7606
Brugia malayi DNA ligase 0.0024 0.1083 0.1083
Loa Loa (eye worm) hypothetical protein 0.0017 0.0576 0.0576
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0011 0.0122 0.0068
Trichomonas vaginalis conserved hypothetical protein 0.0011 0.0122 0.0068
Toxoplasma gondii small ubiquitin family modifier, putative 0.0031 0.1605 0.3241
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.003 0.1504 0.9319
Brugia malayi chromobox protein homolog 3 0.0039 0.2249 0.2249
Trichomonas vaginalis conserved hypothetical protein 0.0011 0.0122 0.0068
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0057 0.3579 0.3533
Trichomonas vaginalis phosphofructokinase, putative 0.0109 0.7606 1
Schistosoma mansoni hypothetical protein 0.0012 0.0188 0.0188
Trypanosoma cruzi hypothetical protein, conserved 0.0018 0.059 0.0522
Brugia malayi ImpB/MucB/SamB family protein 0.0057 0.3579 0.3579
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0634 0.058
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0141 1 1
Trypanosoma brucei small ubiquitin-related modifier 0.0031 0.1605 0.1877
Schistosoma mansoni hypothetical protein 0.0011 0.0122 0.0122
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0011 0.0122 0.0068
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.0634 0.058
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0071 0.4698 1
Toxoplasma gondii DNA ligase 1, putative 0.0024 0.1083 0.2102
Schistosoma mansoni DNA polymerase eta 0.011 0.7687 0.7687
Toxoplasma gondii 'chromo' (CHRromatin Organization MOdifier) domain-containing protein 0.0011 0.0122 0.0002
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.2833 0.3518
Trypanosoma brucei hypothetical protein, conserved 0.0018 0.059 0.0522
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0141 1 1
Brugia malayi Protein cec-1. 0.0011 0.0122 0.0122
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0011 0.0122 0.0052
Echinococcus multilocularis 6 phosphofructokinase 0.0109 0.7606 0.7589
Schistosoma mansoni chromobox protein 0.0011 0.0122 0.0122
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.1504 0.1902
Trichomonas vaginalis conserved hypothetical protein 0.0011 0.0122 0.0068
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0634 0.0747
Trypanosoma brucei DNA polymerase eta, putative 0.011 0.7687 1
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0025 0.1168 0.1294
Leishmania major DNA polymerase eta, putative 0.011 0.7687 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0086 0.5822 0.7509
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0055 0.3451 0.3451
Brugia malayi hypothetical protein 0.0011 0.0071 0.0071
Trichomonas vaginalis nuclear lim interactor-interacting factor, putative 0.0012 0.0199 0.0171
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0141 1 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0011 0.0122 0.0068
Loa Loa (eye worm) CHromoDomain protein family member 0.0011 0.0122 0.0122
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0011 0.0122 0.0068
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0011 0.0122 0.0068
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.0634 0.0062
Trypanosoma brucei DNA polymerase kappa, putative 0.0086 0.5822 0.7509
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0011 0.0122 0.0122
Entamoeba histolytica hypothetical protein 0.0011 0.0122 0.0068
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.003 0.1504 0.1902
Trypanosoma brucei DNA polymerase IV, putative 0.0079 0.5265 0.6766
Echinococcus granulosus DNA ligase 1 0.0024 0.1083 0.102
Loa Loa (eye worm) DNA ligase III 0.0011 0.0121 0.0121
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0634 0.0567
Leishmania major DNA polymerase eta, putative 0.0071 0.4698 0.6009
Entamoeba histolytica hypothetical protein 0.0011 0.0122 0.0068
Brugia malayi polk-prov protein 0.0047 0.2833 0.2833
Loa Loa (eye worm) 6-phosphofructokinase 0.0109 0.7606 0.7606
Brugia malayi CHD4 protein 0.0011 0.0122 0.0122
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.003 0.1504 0.3314
Trichomonas vaginalis chromobox protein, putative 0.007 0.4604 0.6016
Brugia malayi DNA ligase III 0.0011 0.0121 0.0121
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0057 0.3579 0.3579
Plasmodium falciparum DNA repair protein REV1, putative 0.0018 0.059 0.3156
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0576 0.0509
Trichomonas vaginalis nuclear lim interactor-interacting factor, putative 0.0012 0.0199 0.0171
Loa Loa (eye worm) DNA ligase 0.0024 0.1083 0.1083
Brugia malayi Associated with TFs and helicases family protein 0.0011 0.0122 0.0122
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.1372 0.1727
Plasmodium vivax NLI interacting factor-like phosphatase, putative 0.0012 0.0199 0.0521
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0011 0.0122 0.0068
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.1504 0.1902
Echinococcus multilocularis chromodomain helicase DNA binding protein 1 0.0011 0.0122 0.0052
Trypanosoma brucei chrX additional, unordered contigs 0.0018 0.059 0.0522
Plasmodium vivax DNA repair protein REV1, putative 0.0018 0.059 0.3156
Echinococcus multilocularis DNA ligase 1 0.0024 0.1083 0.102
Schistosoma mansoni chromobox protein 0.007 0.4604 0.4604
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0634 0.5
Trypanosoma cruzi small ubiquitin protein, putative 0.0031 0.1605 0.1877
Loa Loa (eye worm) hypothetical protein 0.0039 0.2249 0.2249
Trichomonas vaginalis chromobox protein, putative 0.007 0.4604 0.6016
Trichomonas vaginalis chromobox protein, putative 0.0011 0.0122 0.0068
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0011 0.0122 0.0068
Trichomonas vaginalis hypothetical protein 0.0011 0.0122 0.0068
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0141 1 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0064 0.4135 0.5309
Giardia lamblia DNA damage repair protein 0.0018 0.059 0.0992
Trypanosoma brucei DNA damage repair protein, putative 0.0018 0.059 0.0522
Echinococcus multilocularis Chromobox protein 3 0.0011 0.0122 0.0052
Trichomonas vaginalis chromobox protein, putative 0.0011 0.0122 0.0068
Trichomonas vaginalis chromobox protein, putative 0.0042 0.2477 0.3194
Brugia malayi Heterochromatin protein 1 0.007 0.4604 0.4604
Brugia malayi Calcitonin receptor-like protein seb-1 0.0055 0.3451 0.3451
Schistosoma mansoni ubiquitin-like protein sumo/smt3-related 0.0031 0.1605 0.1605
Plasmodium falciparum DNA ligase I 0.0024 0.1083 0.6482
Schistosoma mansoni DNA polymerase IV / kappa 0.0018 0.059 0.059
Onchocerca volvulus 0.0011 0.0122 0.0214
Trichomonas vaginalis chromobox protein, putative 0.0011 0.0122 0.0068
Brugia malayi 6-phosphofructokinase 0.0109 0.7606 0.7606
Echinococcus multilocularis 0.0012 0.0199 0.013
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0025 0.1168 0.1294
Trichomonas vaginalis phosphofructokinase, putative 0.0109 0.7606 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0634 0.058
Trypanosoma cruzi DNA damage repair protein, putative 0.0018 0.059 0.0522
Leishmania major DNA ligase I, putative 0.0024 0.1083 0.118
Mycobacterium ulcerans DNA polymerase IV 0.0086 0.5822 0.7457
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0011 0.0122 0.0068
Trypanosoma brucei DNA polymerase kappa, putative 0.0086 0.5822 0.7509
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.0634 0.1104
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0025 0.1168 0.1294
Mycobacterium tuberculosis Conserved hypothetical protein 0.0057 0.3579 0.4557
Loa Loa (eye worm) hypothetical protein 0.0011 0.0122 0.0122
Entamoeba histolytica phosphofructokinase, putative 0.0109 0.7606 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0011 0.0122 0.0068
Loa Loa (eye worm) hypothetical protein 0.011 0.7687 0.7687
Echinococcus multilocularis flap endonuclease 1 0.0025 0.1168 0.1105
Schistosoma mansoni ap endonuclease 0.0018 0.0634 0.0634
Leishmania major DNA polymerase kappa, putative 0.0064 0.4135 0.5256
Trypanosoma cruzi DNA damage repair protein, putative 0.0018 0.059 0.0522
Loa Loa (eye worm) hypothetical protein 0.0011 0.0071 0.0071
Mycobacterium ulcerans 6-phosphofructokinase 0.0109 0.7606 1
Trichomonas vaginalis DNA ligase IV, putative 0.0024 0.1083 0.1344
Trypanosoma brucei DNA polymerase kappa, putative 0.0086 0.5822 0.7509
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.1504 0.1902
Trichomonas vaginalis phosphofructokinase, putative 0.0109 0.7606 1
Giardia lamblia DNA ligase 0.0024 0.1083 0.2245
Echinococcus granulosus Chromo domain 0.0011 0.0122 0.0052
Entamoeba histolytica NLI interacting factor-like phosphatase domain-containing protein 0.0012 0.0199 0.0171
Brugia malayi Flap endonuclease-1 0.0025 0.1168 0.1168
Loa Loa (eye worm) hypothetical protein 0.0012 0.0199 0.0199
Echinococcus multilocularis dna ligase 4 0.0011 0.0121 0.0051
Echinococcus granulosus beta-adrenergic receptor kinase 0.0093 0.637 0.6344
Echinococcus granulosus CTD small phosphatase protein like 0.0012 0.0199 0.013
Schistosoma mansoni nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if) 0.0012 0.0199 0.0199
Mycobacterium ulcerans DNA polymerase IV 0.0086 0.5822 0.7457
Loa Loa (eye worm) hypothetical protein 0.0038 0.212 0.212
Mycobacterium ulcerans ATP-dependent DNA ligase 0.0024 0.1083 0.0703
Leishmania major ATP-dependent phosphofructokinase 0.0109 0.7606 0.9892
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.2249 0.2891
Trypanosoma cruzi DNA ligase I, putative 0.0024 0.1083 0.118
Schistosoma mansoni hypothetical protein 0.0038 0.212 0.212
Trypanosoma cruzi hypothetical protein, conserved 0.0018 0.059 0.0522
Schistosoma mansoni hypothetical protein 0.0017 0.0576 0.0576
Schistosoma mansoni 6-phosphofructokinase 0.0109 0.7606 0.7606
Loa Loa (eye worm) hypothetical protein 0.0011 0.0122 0.0122
Echinococcus granulosus GPCR family 2 0.0017 0.0576 0.0509
Schistosoma mansoni chromobox protein 0.007 0.4604 0.4604
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0109 0.7606 0.5
Echinococcus granulosus dna polymerase kappa 0.0086 0.5822 0.5792
Echinococcus multilocularis beta adrenergic receptor kinase 0.0093 0.637 0.6344
Trypanosoma brucei DNA ligase I, putative 0.0024 0.1083 0.118

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 1.26 ug ml-1 Antimalarial activity against blood stage Plasmodium falciparum D6 assessed as [3H]-hypoxanthine uptake after 24 hrs by scintillation counting ChEMBL. 21627120
IC50 (functional) = 1.72 ug ml-1 Antimalarial activity against blood stage Plasmodium falciparum W2 assessed as [3H]-hypoxanthine uptake after 24 hrs by scintillation counting ChEMBL. 21627120
IC50 (functional) = 2.54 ug ml-1 Antimalarial activity against blood stage Plasmodium falciparum TM91C235 assessed as [3H]-hypoxanthine uptake after 24 hrs by scintillation counting ChEMBL. 21627120
T1/2 (ADMET) < 10 min Metabolic stability in human assessed as half life at 160 mg/kg, po by LC-MS/MS analysis ChEMBL. 21627120
T1/2 (ADMET) < 10 min Metabolic stability in mouse assessed as half life at 160 mg/kg, po by LC-MS/MS analysis ChEMBL. 21627120
Time (functional) = 1 day Antimalarial activity against Plasmodium berghei infected erythrocytic mouse model assessed as delay in patency time at 160 mg/kg, po administered one day before infection, on day of infection and one day post infection ChEMBL. 21627120
Time (functional) = 2 day Antimalarial activity against Plasmodium berghei infected erythrocytic mouse model assessed as delay in patency time at 40 mg/kg, po administered one day before infection, on day of infection and one day post infection ChEMBL. 21627120

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 21627120

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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