Detailed information for compound 213458

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 401.816 | Formula: C17H20ClF2N4O3-
  • H donors: 2 H acceptors: 4 LogP: 0.63 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: FCC(n1cc(C(=O)O)c(=O)c2c1nc(N1CCNCC1)c(c2)F)(C)C.[Cl-]
  • InChi: 1S/C17H20F2N4O3.ClH/c1-17(2,9-18)23-8-11(16(25)26)13(24)10-7-12(19)15(21-14(10)23)22-5-3-20-4-6-22;/h7-8,20H,3-6,9H2,1-2H3,(H,25,26);1H/p-1
  • InChiKey: RTNANELTCWYRJO-UHFFFAOYSA-M  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

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

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.0659 0.0554
Plasmodium vivax multidomain scavenger receptor, putative 0.002 0.0573 0.1796
Toxoplasma gondii aldo/keto reductase family oxidoreductase 0.0057 0.1855 0.2634
Brugia malayi NADH-dependent xylose reductase 0.0057 0.1855 0.1764
Plasmodium falciparum LCCL domain-containing protein 0.002 0.0573 0.1796
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0007 0.011 0.0087
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0659 0.0823
Loa Loa (eye worm) hypothetical protein 0.002 0.0573 0.0564
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0008 0.0135 0.0026
Brugia malayi Probable ClpP-like protease 0.008 0.2665 0.2584
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0457 0.035
Entamoeba histolytica alcohol dehydrogenase, putative 0.0057 0.1855 0.1281
Toxoplasma gondii aldose reductase, putative 0.0196 0.6723 1
Echinococcus multilocularis Kelch repeat type 1 0.0094 0.3151 0.3074
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0196 0.6723 0.6687
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0659 0.0823
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.029 1 1
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0659 0.0823
Loa Loa (eye worm) hypothetical protein 0.0053 0.1723 0.1968
Schistosoma mansoni aldo-keto reductase 0.0196 0.6723 0.6715
Trichomonas vaginalis conserved hypothetical protein 0.0057 0.1855 0.2759
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0028 0.0833 0.2816
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0.0659 0.0823
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0065 0.2135 0.2116
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0196 0.6723 0.6687
Schistosoma mansoni amine GPCR 0.0007 0.011 0.0087
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0196 0.6723 0.6687
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0007 0.011 0.0087
Mycobacterium ulcerans hypothetical protein 0.0057 0.1855 0.2634
Loa Loa (eye worm) oxidoreductase 0.0196 0.6723 0.8066
Schistosoma mansoni amine GPCR 0.0007 0.011 0.0087
Echinococcus granulosus dna polymerase kappa 0.0023 0.0659 0.0554
Entamoeba histolytica hypothetical protein 0.029 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0196 0.6723 0.6687
Echinococcus multilocularis GPCR, family 2 0.0017 0.0457 0.035
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0457 0.035
Schistosoma mansoni DNA polymerase IV / kappa 0.0007 0.0115 0.0092
Loa Loa (eye worm) hypothetical protein 0.0023 0.0659 0.0669
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.0573 0.0468
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0201 0.0091
Echinococcus granulosus kelch ECH associated protein 1 like 0.0094 0.3142 0.3065
Schistosoma mansoni neuropeptide F-like receptor 0.0007 0.011 0.0087
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.0659 0.0669
Trichomonas vaginalis aldo-keto reductase, putative 0.0057 0.1855 0.2759
Schistosoma mansoni biogenic amine (5HT) receptor 0.0007 0.011 0.0087
Trypanosoma brucei unspecified product 0.0023 0.0659 0.0823
Schistosoma mansoni potassium channel beta 0.0057 0.1855 0.1836
Echinococcus multilocularis geminin 0.0164 0.5611 0.5562
Schistosoma mansoni neuropeptide F-like receptor 0.0007 0.011 0.0087
Onchocerca volvulus 0.002 0.0573 0.07
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0112 0.0167
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0659 0.0823
Echinococcus granulosus Polycystic kidney disease protein 0.002 0.0573 0.0468
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0659 0.0823
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0028 0.0833 0.2816
Onchocerca volvulus 0.002 0.0573 0.07
Echinococcus granulosus aldo keto reductase 0.0196 0.6723 0.6687
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.1505 0.1702
Trypanosoma brucei aldo-keto reductase, putative 0.0196 0.6723 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0196 0.6723 0.6687
Trichomonas vaginalis aldo-keto reductase, putative 0.0196 0.6723 1
Toxoplasma gondii aldo-keto reductase 0.0057 0.1855 0.2634
Trypanosoma brucei prostaglandin f synthase 0.0196 0.6723 1
Brugia malayi Doublecortin family protein 0.002 0.0573 0.0468
Echinococcus multilocularis cpg binding protein 0.0032 0.0999 0.0898
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.008 0.2665 0.5
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.0573 0.0468
Schistosoma mansoni hypothetical protein 0.002 0.0573 0.0551
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.1505 0.1411
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.1137 0.1038
Echinococcus granulosus voltage gated potassium channel subunit 0.0057 0.1855 0.1764
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0196 0.6723 0.6687
Echinococcus granulosus aldo keto reductase 0.0196 0.6723 0.6687
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.008 0.2665 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0112 0.0167
Toxoplasma gondii hypothetical protein 0.0028 0.0833 0.1087
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.008 0.2665 0.3859
Loa Loa (eye worm) CXXC zinc finger family protein 0.0031 0.0938 0.101
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0112 0.0167
Schistosoma mansoni myosin xvIII 0.0007 0.011 0.0087
Onchocerca volvulus 0.0031 0.0938 0.1252
Schistosoma mansoni biogenic amine receptor 0.0007 0.011 0.0087
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0659 0.0823
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0196 0.6723 0.6687
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.0573 0.0468
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0196 0.6723 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.1505 0.1411
Loa Loa (eye worm) hypothetical protein 0.0036 0.1137 0.1252
Echinococcus multilocularis aldehyde reductase 0.0139 0.4738 0.468
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0659 0.0823
Onchocerca volvulus 0.0196 0.6723 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0241 0.8308 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0196 0.6723 0.6687
Schistosoma mansoni hypothetical protein 0.0164 0.5611 0.56
Echinococcus multilocularis Polycystic kidney disease protein 0.002 0.0573 0.0468
Onchocerca volvulus 0.0196 0.6723 1
Schistosoma mansoni histamine h1 receptor 0.0007 0.011 0.0087
Schistosoma mansoni cpg binding protein 0.0032 0.0999 0.0978
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0659 0.0823
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1505 0.1485
Schistosoma mansoni biogenic amine (5HT) receptor 0.0007 0.011 0.0087
Schistosoma mansoni neuropeptide receptor 0.0007 0.011 0.0087
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0659 0.0554
Trichomonas vaginalis aldo-keto reductase, putative 0.0196 0.6723 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0112 0.0167
Entamoeba histolytica hypothetical protein 0.029 1 1
Schistosoma mansoni adenoreceptor 0.0007 0.011 0.0087
Entamoeba histolytica hypothetical protein 0.029 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0196 0.6723 0.6687
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0659 0.0823
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0659 0.0823
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0196 0.6723 1
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0201 0.011
Trichomonas vaginalis aldo-keto reductase, putative 0.0196 0.6723 1
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0457 0.035
Schistosoma mansoni biogenic amine receptor 0.0007 0.011 0.0087
Schistosoma mansoni hypothetical protein 0.0007 0.011 0.0087
Leishmania major prostaglandin f synthase, putative 0.0196 0.6723 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0007 0.011 0.0087
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0052 0.1702 0.1476
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0112 0.0167
Echinococcus multilocularis kelch ECH associated protein 1 0.0094 0.3142 0.3065
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.008 0.2665 0.2584
Toxoplasma gondii oxidoreductase, aldo/keto reductase family protein 0.0057 0.1855 0.2634
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0196 0.6723 0.6687
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0457 0.035
Echinococcus granulosus kelch ECH associated protein 1 like 0.0094 0.3142 0.3065
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0057 0.1855 0.6824
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0007 0.011 0.0087
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0196 0.6723 0.6687
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0196 0.6723 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0196 0.6723 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0659 0.0823
Schistosoma mansoni hypothetical protein 0.0017 0.0457 0.0434
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0196 0.6723 0.6687
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.008 0.2665 1
Schistosoma mansoni peptidase Clp (S14 family) 0.008 0.2665 0.2648
Trypanosoma cruzi aldo/keto reductase, putative 0.0196 0.6723 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0135 0.0112
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0201 0.0091
Entamoeba histolytica hypothetical protein 0.029 1 1
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.0659 0.0823
Echinococcus multilocularis aldo keto reductase 0.0196 0.6723 0.6687
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0007 0.011 0.0087
Schistosoma mansoni hypothetical protein 0.0007 0.011 0.0087
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0196 0.0087
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0007 0.011 0.0087
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.0659 0.0554
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0008 0.0135 0.0026
Echinococcus multilocularis aldo keto reductase 0.0196 0.6723 0.6687
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0196 0.6723 0.6687
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0414 0.0452
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0007 0.011 0.0087
Loa Loa (eye worm) oxidoreductase 0.0196 0.6723 0.8066
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.0659 0.0637
Trichomonas vaginalis helicase, putative 0.0007 0.0112 0.0167
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0659 0.0823
Schistosoma mansoni DNA polymerase eta 0.0023 0.0659 0.0637
Schistosoma mansoni amine GPCR 0.0007 0.011 0.0087
Schistosoma mansoni hypothetical protein 0.0164 0.5611 0.56
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0112 0.0167
Loa Loa (eye worm) oxidoreductase 0.0196 0.6723 0.8066
Echinococcus granulosus geminin 0.0164 0.5611 0.5562
Leishmania major DNA polymerase eta, putative 0.0023 0.0659 0.0823
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0112 0.0167
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0196 0.6723 0.6687
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0112 0.0167
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0196 0.6723 0.6687
Schistosoma mansoni pol-related 0.0196 0.6723 0.6715
Trichomonas vaginalis aldo-keto reductase, putative 0.0196 0.6723 1
Giardia lamblia DINP protein human, muc B family 0.0023 0.0659 0.0823
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0057 0.1855 0.2129
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.008 0.2665 1
Loa Loa (eye worm) oxidoreductase 0.0196 0.6723 0.8066
Trichomonas vaginalis aldo-keto reductase, putative 0.0196 0.6723 1
Mycobacterium leprae Possible oxidoreductase 0.0057 0.1855 0.1735
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.008 0.2665 0.3859
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0112 0.0167
Loa Loa (eye worm) hypothetical protein 0.0196 0.6723 0.8066
Echinococcus granulosus mixed lineage leukemia protein mll 0.0008 0.0135 0.0026
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0056 0.1838 0.1747
Mycobacterium ulcerans oxidoreductase 0.0196 0.6723 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.0659 0.0637
Schistosoma mansoni transcription factor LCR-F1 0.029 1 1
Schistosoma mansoni opsin-like receptor 0.0007 0.011 0.0087
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0007 0.011 0.0087
Schistosoma mansoni hypothetical protein 0.029 1 1
Echinococcus granulosus dna polymerase eta 0.0023 0.0659 0.0554
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0007 0.011 0.0087
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0007 0.011 0.0087
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0057 0.1855 0.1764
Brugia malayi follicle stimulating hormone receptor 0.0241 0.8308 0.829
Trichomonas vaginalis aldo-keto reductase, putative 0.0057 0.1855 0.2759
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0007 0.011 0.0087
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0007 0.011 0.0087
Echinococcus multilocularis aldo keto reductase 0.0196 0.6723 0.6687
Schistosoma mansoni growth hormone secretagogue receptor 0.0007 0.011 0.0087
Schistosoma mansoni opsin-like receptor 0.0007 0.011 0.0087
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0112 0.0167
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0457 0.035
Schistosoma mansoni cpg binding protein 0.0032 0.0999 0.0978
Schistosoma mansoni lipoxygenase 0.0056 0.1838 0.1819
Schistosoma mansoni neuropeptide receptor 0.0007 0.011 0.0087
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0007 0.011 0.0087
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0659 0.0823
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.008 0.2665 1
Echinococcus granulosus aldo keto reductase 0.0196 0.6723 0.6687
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0007 0.011 0.0087
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.008 0.2665 0.3859
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0196 0.6723 1
Entamoeba histolytica aldose reductase, putative 0.0196 0.6723 0.6492
Onchocerca volvulus 0.0057 0.1855 0.2639
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.1505 0.1411
Trypanosoma cruzi DNA polymerase eta, putative 0.0023 0.0659 0.0823
Trichomonas vaginalis aldo-keto reductase, putative 0.0196 0.6723 1
Schistosoma mansoni polycystin 1-related 0.002 0.0573 0.0551
Echinococcus multilocularis kelch ECH associated protein 1 0.0094 0.3142 0.3065
Onchocerca volvulus 0.0196 0.6723 1
Schistosoma mansoni hypothetical protein 0.0007 0.011 0.0087
Trichomonas vaginalis aldo-keto reductase, putative 0.0196 0.6723 1
Plasmodium vivax aldehyde reductase, putative 0.0057 0.1855 0.6824
Plasmodium falciparum aldehyde reductase, putative 0.0057 0.1855 0.6824
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0196 0.6723 1
Brugia malayi hypothetical protein 0.002 0.0573 0.0468
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0414 0.0452
Trichomonas vaginalis aldo-keto reductase, putative 0.0196 0.6723 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0008 0.0135 0.0026
Entamoeba histolytica aldose reductase, putative 0.0196 0.6723 0.6492
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0007 0.011 0.0087
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0659 0.0823
Schistosoma mansoni rab6-interacting 0.002 0.0573 0.0551
Mycobacterium tuberculosis Probable oxidoreductase 0.0196 0.6723 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.1723 0.1631
Trichomonas vaginalis aldo-keto reductase, putative 0.0196 0.6723 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0196 0.6723 1
Echinococcus multilocularis voltage gated potassium channel subunit 0.0057 0.1855 0.1764
Echinococcus multilocularis peptidase Clp (S14 family) 0.0052 0.1702 0.161
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0659 0.0823
Trypanosoma brucei unspecified product 0.0016 0.0414 0.0452
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0112 0.0167
Loa Loa (eye worm) oxidoreductase 0.0196 0.6723 0.8066
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0659 0.0823
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.0659 0.098
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0057 0.1855 0.1764
Echinococcus multilocularis dna polymerase eta 0.0023 0.0659 0.0554
Schistosoma mansoni hypothetical protein 0.0017 0.0457 0.0434
Mycobacterium tuberculosis Conserved protein 0.0057 0.1855 0.1973
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0196 0.6723 0.6687
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0007 0.011 0.0087
Schistosoma mansoni hypothetical protein 0.0017 0.0457 0.0434
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0196 0.6723 0.6687
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0196 0.6723 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0196 0.6723 0.6687
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0457 0.0423
Leishmania major aldo/keto reductase, putative,aldo/keto reductase family-like protein 0.0057 0.1855 0.2634
Schistosoma mansoni hypothetical protein 0.0036 0.1137 0.1116
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0196 0.6723 0.6687
Plasmodium falciparum aldo-keto reductase, putative 0.0057 0.1855 0.6824
Brugia malayi hypothetical protein 0.002 0.0573 0.0468
Echinococcus granulosus hypothetical protein 0.0196 0.6723 0.6687
Schistosoma mansoni amine GPCR 0.0007 0.011 0.0087
Loa Loa (eye worm) hypothetical protein 0.002 0.0573 0.0564
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0112 0.0167
Loa Loa (eye worm) hypothetical protein 0.008 0.2665 0.3117
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0112 0.0167
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0659 0.0823
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.008 0.2665 0.2584
Schistosoma mansoni biogenic amine receptor 0.0007 0.011 0.0087
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0007 0.011 0.0087
Schistosoma mansoni loxhd1 0.002 0.0573 0.0551
Onchocerca volvulus 0.0196 0.6723 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0196 0.6723 0.6687
Brugia malayi polk-prov protein 0.0007 0.0115 0.0005
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0196 0.6723 0.6687
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0196 0.6723 0.6687
Entamoeba histolytica alcohol dehydrogenase, putative 0.0057 0.1855 0.1281
Giardia lamblia Aldose reductase 0.0196 0.6723 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.008 0.2665 0.5
Echinococcus multilocularis dna polymerase kappa 0.0023 0.0659 0.0554
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0007 0.011 0.0087
Schistosoma mansoni hypothetical protein 0.0094 0.3151 0.3135
Trichomonas vaginalis aldo-keto reductase, putative 0.0196 0.6723 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0196 0.6723 0.6687
Trichomonas vaginalis aldo/keto reductase, putative 0.0196 0.6723 1
Giardia lamblia Aldose reductase 0.0196 0.6723 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0007 0.011 0.0087
Trypanosoma brucei unspecified product 0.0016 0.0414 0.0452
Toxoplasma gondii histone lysine methyltransferase SET1 0.0058 0.1893 0.269
Onchocerca volvulus 0.0196 0.6723 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0196 0.6723 0.6687
Schistosoma mansoni neuropeptide receptor 0.0007 0.011 0.0087
Schistosoma mansoni aldo-keto reductase 0.0196 0.6723 0.6715
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0414 0.0452
Leishmania major DNA polymerase kappa, putative 0.0023 0.0659 0.0823
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0659 0.0554
Loa Loa (eye worm) doublecortin family protein 0.002 0.0573 0.0564
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0112 0.0167
Echinococcus granulosus peptidase Clp S14 family 0.0052 0.1702 0.161
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0457 0.035
Echinococcus granulosus kelch ECH associated protein 1 0.0094 0.3142 0.3065
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1505 0.1485
Trichomonas vaginalis aldo-keto reductase, putative 0.0196 0.6723 1
Schistosoma mansoni amine GPCR 0.0007 0.011 0.0087
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.0573 0.0468
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0007 0.011 0.0087
Trichomonas vaginalis aldo-keto reductase, putative 0.0057 0.1855 0.2759
Echinococcus granulosus GPCR family 2 0.0017 0.0457 0.035
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0112 0.0167
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.008 0.2665 0.3859
Echinococcus multilocularis RUN 0.002 0.0573 0.0468
Echinococcus granulosus RUN 0.002 0.0573 0.0468
Schistosoma mansoni neuropeptide receptor 0.0007 0.011 0.0087
Brugia malayi CXXC zinc finger family protein 0.0031 0.0938 0.0837
Schistosoma mansoni neuropeptide f receptor 76f 0.0007 0.011 0.0087
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.1723 0.1968
Schistosoma mansoni cpg binding protein 0.0031 0.0938 0.0917
Onchocerca volvulus 0.0196 0.6723 1
Schistosoma mansoni opsin-like receptor 0.0007 0.011 0.0087
Trypanosoma brucei aldo/keto reductase, putative 0.0057 0.1855 0.2634
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.0659 0.098
Loa Loa (eye worm) hypothetical protein 0.0007 0.0115 0.0006
Schistosoma mansoni rab6-interacting 0.002 0.0573 0.0551
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0659 0.0823
Echinococcus granulosus cpg binding protein 0.0032 0.0999 0.0898
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0007 0.011 0.0087
Schistosoma mansoni hypothetical protein 0.0017 0.0457 0.0434
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.008 0.2665 0.3111
Loa Loa (eye worm) hypothetical protein 0.0017 0.0457 0.0423
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.029 1 1
Leishmania major aldo-keto reductase-like protein 0.0196 0.6723 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0112 0.0167
Echinococcus multilocularis aldo keto reductase 0.0196 0.6723 0.6687
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0052 0.1702 0.1721
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0052 0.1702 0.1721
Schistosoma mansoni lipoxygenase 0.002 0.0573 0.0551
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.1505 0.1411
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1505 0.1485
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0056 0.1838 0.1747
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0007 0.011 0.0087
Entamoeba histolytica aldose reductase, putative 0.0196 0.6723 0.6492
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0659 0.0823
Echinococcus granulosus aldehyde reductase 0.0139 0.4738 0.468
Schistosoma mansoni hypothetical protein 0.0007 0.011 0.0087
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.1723 0.1631
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0112 0.0167
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0057 0.1855 0.2759
Trypanosoma cruzi aldo-keto reductase 0.0196 0.6723 1
Trypanosoma cruzi aldo/keto reductase, putative 0.0057 0.1855 0.2634
Trichomonas vaginalis aldo-keto reductase, putative 0.0196 0.6723 1
Mycobacterium leprae Conserved hypothetical protein 0.0139 0.4738 0.663
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.1505 0.1411
Schistosoma mansoni alpha-1 adrenergic receptor 0.0007 0.011 0.0087

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 0.13 ug ml-1 In vitro antibacterial activity against Escherichia coli A 15119 ChEMBL. 1992128
MIC (functional) = 0.13 ug ml-1 In vitro antibacterial activity against Morganella morganii A 15153 ChEMBL. 1992128
MIC (functional) = 0.13 ug ml-1 In vitro antibacterial activity against Haemophilus influenzae A 21515 ChEMBL. 1992128
MIC (functional) = 0.25 ug ml-1 In vitro antibacterial activity (minimum inhibitory concentration, MIC) against Staphylococcus aureus A 9537. ChEMBL. 1992128
MIC (functional) = 0.25 ug ml-1 In vitro antibacterial activity against Klebsiella pneumoniae A 9664 ChEMBL. 1992128
MIC (functional) = 0.25 ug ml-1 In vitro antibacterial activity against Enterobacter cloacae A 9656 ChEMBL. 1992128
MIC (functional) = 0.25 ug ml-1 In vitro antibacterial activity (minimum inhibitory concentration, MIC) against Proteus mirabilis A 9900 ChEMBL. 1992128
MIC (functional) = 0.25 ug ml-1 In vitro antibacterial activity (minimum inhibitory concentration) against Serratia marcescens A 20019. ChEMBL. 1992128
MIC (functional) = 0.5 ug ml-1 In vitro antibacterial activity against Streptococcus pneumoniae A 9585 ChEMBL. 1992128
MIC (functional) = 0.5 ug ml-1 In vitro antibacterial activity against Staphylococcus aureus A 24227 ChEMBL. 1992128
MIC (functional) = 1 ug ml-1 Compound was tested in vitro for its antibacterial activity (minimum inhibitory concentration, MIC) against Pseudomonas aeruginosa A 9843 ChEMBL. 1992128
MIC (functional) = 2 ug ml-1 In vitro antibacterial activity against Enterococcus faecalis A 9809 ChEMBL. 1992128
MIC (functional) = 16 ug ml-1 Compound was tested in vitro for its antibacterial activity (minimum inhibitory concentration) against Bacteroides fragilis A 22862. ChEMBL. 1992128
S (ADMET) = 1.6 ug ml-1 Compound was tested for its solubility at 20 degrees C and isoelectric pH. ChEMBL. 1992128

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.