Detailed information for compound 596201

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 868.845 | Formula: C43H45F5N6O8
  • H donors: 4 H acceptors: 9 LogP: 2.12 Rotable bonds: 19
    Rule of 5 violations (Lipinski): 2
  • SMILES: O[C@H]([C@@H](C(=O)O)O)C(=O)O.CCN(CCN(C(=O)Cn1cc(Cc2cnn(c2)C)c(=O)nc1C=Cc1cccc(c1F)F)Cc1ccc(cc1)c1ccc(cc1)C(F)(F)F)CC
  • InChi: 1S/C39H39F5N6O2.C4H6O6/c1-4-48(5-2)19-20-49(24-27-9-11-29(12-10-27)30-13-16-33(17-14-30)39(42,43)44)36(51)26-50-25-32(21-28-22-45-47(3)23-28)38(52)46-35(50)18-15-31-7-6-8-34(40)37(31)41;5-1(3(7)8)2(6)4(9)10/h6-18,22-23,25H,4-5,19-21,24,26H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/b18-15+;/t;1-,2-/m.1/s1
  • InChiKey: QFNOKMWGPPRVOB-IHDVYZANSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

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

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0043 0.045 0.4614
Loa Loa (eye worm) inositol-1 0.0043 0.045 0.1037
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0022 0.0158 0.5879
Schistosoma mansoni hypothetical protein 0.0048 0.0513 0.1182
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0043 0.045 0.3133
Trypanosoma cruzi ISWI complex protein 0.0016 0.0073 0.0508
Schistosoma mansoni hypothetical protein 0.0078 0.0934 0.2153
Echinococcus multilocularis snurportin 1 0.0325 0.4341 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.0499 0.1151
Loa Loa (eye worm) hypothetical protein 0.0043 0.0446 0.1028
Toxoplasma gondii ABC1 family protein 0.0115 0.1438 0.8876
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0048 0.0513 0.1994
Echinococcus multilocularis beta LACTamase domain containing family member 0.0115 0.1438 0.3312
Entamoeba histolytica hypothetical protein 0.0025 0.019 0.1716
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0012 0.0013 0.0029
Trypanosoma brucei glycosyl hydrolase-like protein 0.0014 0.0036 0.0249
Mycobacterium tuberculosis Probable lipase LipD 0.0115 0.1438 0.1341
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0036 0.0351 0.0808
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.009 0.1091 0.2514
Schistosoma mansoni cpg binding protein 0.0036 0.0346 0.0797
Loa Loa (eye worm) hypothetical protein 0.0144 0.1844 0.4248
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0078 0.0934 0.2153
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0151 0.1934 0.4456
Entamoeba histolytica hypothetical protein 0.0078 0.0934 1
Loa Loa (eye worm) cyclic AMP specific phosphodiesterase PDE4D5A 0.0079 0.094 0.2165
Trichomonas vaginalis alpha-glucosidase, putative 0.0014 0.0036 0.0249
Schistosoma mansoni ferritin light chain 0.0019 0.0111 0.0256
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0151 0.1934 0.4456
Onchocerca volvulus 0.0115 0.1438 0.7752
Trypanosoma cruzi importin beta-1 subunit, putative 0.0025 0.019 0.1321
Loa Loa (eye worm) hypothetical protein 0.0115 0.1438 0.3312
Loa Loa (eye worm) hypothetical protein 0.0115 0.1438 0.3312
Entamoeba histolytica hypothetical protein 0.0078 0.0934 1
Echinococcus multilocularis zinc finger protein 0.0023 0.0161 0.0371
Echinococcus granulosus GTP binding nuclear protein Ran 0.0022 0.0158 0.0365
Echinococcus granulosus methyl CpG binding domain protein 2 0.0018 0.0099 0.0228
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0115 0.1438 0.3312
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.009 0.1091 0.6737
Mycobacterium ulcerans beta-lactamase 0.0115 0.1438 0.8793
Brugia malayi MAP kinase sur-1 0.006 0.0679 0.2637
Schistosoma mansoni hypothetical protein 0.0048 0.0513 0.1182
Leishmania major hypothetical protein, conserved 0.0026 0.0214 0.1323
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0151 0.1934 0.4456
Schistosoma mansoni tar DNA-binding protein 0.0197 0.2574 0.5929
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0048 0.0513 0.1182
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0039 0.0387 0.0279
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0115 0.1438 0.1341
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0152 0.1949 0.449
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0351 0.3506
Echinococcus multilocularis GPCR, family 2 0.0048 0.0513 0.1182
Mycobacterium ulcerans aldehyde dehydrogenase 0.0128 0.162 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0385 0.0887
Trichomonas vaginalis D-aminoacylase, putative 0.0115 0.1438 1
Echinococcus multilocularis neutral alpha glucosidase AB 0.0036 0.0351 0.0808
Echinococcus multilocularis tar DNA binding protein 0.0197 0.2574 0.5929
Echinococcus multilocularis mitogen activated protein kinase 3 0.006 0.0679 0.1564
Loa Loa (eye worm) hypothetical protein 0.0041 0.0411 0.0948
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0043 0.045 0.2248
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0019 0.0109 0.025
Loa Loa (eye worm) TAR-binding protein 0.0197 0.2574 0.5929
Echinococcus granulosus histone lysine methyltransferase setb 0.0019 0.0109 0.025
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0022 0.0158 0.0616
Schistosoma mansoni importin beta-1 0.003 0.027 0.0621
Echinococcus multilocularis mitogen activated protein kinase 0.006 0.0679 0.1564
Loa Loa (eye worm) PHD-finger family protein 0.0022 0.0151 0.0349
Schistosoma mansoni bromodomain containing protein 0.0069 0.0802 0.1848
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0019 0.0109 0.025
Onchocerca volvulus 0.0095 0.1157 0.6202
Echinococcus granulosus inositol monophosphatase 1 0.0043 0.045 0.1037
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.0099 0.0228
Schistosoma mansoni cpg binding protein 0.0032 0.0293 0.0674
Echinococcus multilocularis lysosomal alpha glucosidase 0.0164 0.2111 0.4864
Schistosoma mansoni alpha glucosidase 0.0036 0.0351 0.0808
Schistosoma mansoni hypothetical protein 0.0016 0.0073 0.0168
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0325 0.4341 1
Loa Loa (eye worm) hypothetical protein 0.003 0.027 0.0621
Brugia malayi RNA, U transporter 1 0.0086 0.1045 0.4061
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0039 0.0385 0.2678
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0164 0.2111 0.4864
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0039 0.0385 0.2678
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0022 0.0158 0.0365
Loa Loa (eye worm) hypothetical protein 0.0075 0.0886 0.2041
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0151 0.1934 0.4456
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0079 0.094 0.2165
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.009 0.1091 0.2514
Schistosoma mansoni ran 0.0022 0.0158 0.0365
Trichomonas vaginalis alpha-glucosidase, putative 0.0014 0.0036 0.0249
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0351 0.3506
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0039 0.0385 0.0887
Echinococcus granulosus GPCR family 2 0.0048 0.0513 0.1182
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0019 0.0109 0.025
Toxoplasma gondii HEAT repeat-containing protein 0.003 0.027 0.1664
Loa Loa (eye worm) hypothetical protein 0.009 0.1091 0.2514
Onchocerca volvulus 0.0115 0.1438 0.7752
Trichomonas vaginalis ran, putative 0.0022 0.0158 0.1102
Mycobacterium leprae Probable lipase LipE 0.0115 0.1438 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0065 0.075 0.1727
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0043 0.045 0.3133
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0151 0.1934 0.4456
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0214 0.1491
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0043 0.045 0.278
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0351 0.244
Echinococcus granulosus fetal alzheimer antigen falz 0.0026 0.0205 0.0471
Loa Loa (eye worm) hypothetical protein 0.0019 0.0109 0.025
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0151 0.1934 0.7515
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0043 0.045 0.3133
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.009 0.1091 1
Trypanosoma brucei protein kinase, putative 0.006 0.0679 0.4721
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0014 0.0036 0.0249
Brugia malayi Importin beta-1 subunit 0.003 0.027 0.1047
Trypanosoma cruzi hypothetical protein, conserved 0.0115 0.1438 1
Mycobacterium tuberculosis Probable lipase LipE 0.0115 0.1438 0.1341
Brugia malayi RNA binding protein 0.0197 0.2574 1
Echinococcus multilocularis inositol monophosphatase 1 0.0043 0.045 0.1037
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0039 0.0385 0.0887
Mycobacterium tuberculosis Conserved protein 0.0115 0.1438 0.1341
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.019 0.1321
Brugia malayi Calcitonin receptor-like protein seb-1 0.0152 0.1949 0.7572
Schistosoma mansoni hypothetical protein 0.0048 0.0513 0.1182
Leishmania major glycosyl hydrolase-like protein 0.0014 0.0036 0.0221
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0039 0.0385 0.3529
Schistosoma mansoni hypothetical protein 0.0012 0.0013 0.0029
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0214 0.1491
Schistosoma mansoni aldehyde dehydrogenase 0.0128 0.162 0.3731
Brugia malayi Bromodomain containing protein 0.0081 0.0974 0.3784
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0128 0.162 0.3731
Echinococcus multilocularis cpg binding protein 0.0036 0.0346 0.0797
Giardia lamblia Kinase, CMGC MAPK 0.006 0.0679 0.622
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0043 0.045 1
Schistosoma mansoni tar DNA-binding protein 0.0197 0.2574 0.5929
Echinococcus granulosus beta LACTamase domain containing family member 0.0115 0.1438 0.3312
Trypanosoma brucei glucosidase, putative 0.0036 0.0351 0.244
Echinococcus granulosus mitogen activated protein kinase 3 0.006 0.0679 0.1564
Mycobacterium ulcerans hypothetical protein 0.0115 0.1438 0.8793
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.019 0.1321
Echinococcus granulosus ubiquitin specific protease 41 0.0039 0.0385 0.0887
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0048 0.0513 0.1182
Echinococcus multilocularis lysosomal alpha glucosidase 0.0164 0.2111 0.4864
Schistosoma mansoni tar DNA-binding protein 0.0197 0.2574 0.5929
Brugia malayi MH2 domain containing protein 0.012 0.1507 0.5854
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0214 0.1323
Loa Loa (eye worm) latrophilin receptor protein 2 0.0048 0.0513 0.1182
Entamoeba histolytica Ran family GTPase 0.0022 0.0158 0.1365
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0128 0.162 0.1526
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.006 0.0679 0.4721
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0039 0.0385 0.2377
Trichomonas vaginalis maltase-glucoamylase, putative 0.0014 0.0036 0.0249
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0151 0.1934 0.4456
Trichomonas vaginalis maltase-glucoamylase, putative 0.0036 0.0351 0.244
Loa Loa (eye worm) hypothetical protein 0.0115 0.1438 0.3312
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0022 0.0158 0.1102
Trichomonas vaginalis CMGC family protein kinase 0.006 0.0679 0.4721
Brugia malayi hypothetical protein 0.0144 0.1844 0.7165
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.027 0.1875
Echinococcus multilocularis ubiquitin specific protease 41 0.0039 0.0385 0.0887
Echinococcus granulosus importin subunit beta 1 0.003 0.027 0.0621
Trichomonas vaginalis alpha-glucosidase, putative 0.0014 0.0036 0.0249
Trichomonas vaginalis esterase, putative 0.0115 0.1438 1
Brugia malayi beta-lactamase 0.0115 0.1438 0.5586
Schistosoma mansoni serine/threonine protein kinase 0.006 0.0679 0.1564
Plasmodium vivax hypothetical protein, conserved 0.0115 0.1438 1
Trichomonas vaginalis CMGC family protein kinase 0.006 0.0679 0.4721
Trichomonas vaginalis inositol monophosphatase, putative 0.0043 0.045 0.3133
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0048 0.0513 0.1182
Trypanosoma cruzi ISWI complex protein 0.0016 0.0073 0.0508
Mycobacterium tuberculosis Probable esterase LipL 0.0115 0.1438 0.1341
Plasmodium vivax importin-beta 2, putative 0.003 0.027 0.1875
Loa Loa (eye worm) hypothetical protein 0.0048 0.0513 0.1182
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0158 0.1102
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0018 0.0099 0.0228
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0128 0.162 1
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0022 0.0158 0.0365
Schistosoma mansoni transcription factor LCR-F1 0.0078 0.0934 0.2153
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0151 0.1934 0.4456
Schistosoma mansoni zinc finger protein 0.0016 0.0073 0.0168
Loa Loa (eye worm) hypothetical protein 0.0026 0.0214 0.0494
Toxoplasma gondii aldehyde dehydrogenase 0.0128 0.162 1
Loa Loa (eye worm) beta-lactamase 0.0115 0.1438 0.3312
Leishmania major hypothetical protein, conserved 0.0115 0.1438 0.8876
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0214 0.1491
Brugia malayi hypothetical protein 0.0026 0.0214 0.0833
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0115 0.1438 0.8793
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0351 0.244
Echinococcus granulosus ferritin 0.0019 0.0111 0.0256
Mycobacterium ulcerans esterase/lipase LipP 0.0115 0.1438 0.8793
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0038 0.0376 0.0865
Echinococcus granulosus snurportin 1 0.0325 0.4341 1
Brugia malayi TAR-binding protein 0.0197 0.2574 1
Schistosoma mansoni hypothetical protein 0.0048 0.0513 0.1182
Schistosoma mansoni zinc finger protein 0.0023 0.0161 0.0371
Schistosoma mansoni ran 0.0022 0.0158 0.0365
Schistosoma mansoni alpha-glucosidase 0.0141 0.1796 0.4138
Trichomonas vaginalis D-aminoacylase, putative 0.0115 0.1438 1
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.006 0.0679 0.419
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0022 0.0158 0.1452
Loa Loa (eye worm) CXXC zinc finger family protein 0.0032 0.0293 0.0674
Brugia malayi latrophilin 2 splice variant baaae 0.0104 0.1284 0.499
Brugia malayi beta-lactamase family protein 0.0115 0.1438 0.5586
Echinococcus granulosus cpg binding protein 0.0036 0.0346 0.0797
Schistosoma mansoni ferritin light chain 0.0019 0.0111 0.0256
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0012 0.0013 0.0029
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0039 0.0385 0.2678
Echinococcus granulosus lysosomal alpha glucosidase 0.0164 0.2111 0.4864
Brugia malayi RNA recognition motif domain containing protein 0.0197 0.2574 1
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0039 0.0385 0.2678
Schistosoma mansoni tar DNA-binding protein 0.0197 0.2574 0.5929
Schistosoma mansoni alpha-glucosidase 0.0141 0.1796 0.4138
Brugia malayi Latrophilin receptor protein 2 0.0048 0.0513 0.1994
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.006 0.0679 0.1564
Entamoeba histolytica hypothetical protein 0.0078 0.0934 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0115 0.1438 0.1341
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0214 0.7951
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0026 0.0205 0.0471
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0026 0.0205 0.0471
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0048 0.0513 0.1182
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.027 0.1875
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0014 0.0036 0.0249
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0151 0.1934 0.4456
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0043 0.045 0.3133
Brugia malayi Bromodomain containing protein 0.0041 0.041 0.1594
Schistosoma mansoni hypothetical protein 0.0104 0.1284 0.2959
Echinococcus granulosus neutral alpha glucosidase AB 0.0036 0.0351 0.0808
Trypanosoma brucei ISWI complex protein 0.0016 0.0073 0.0508
Loa Loa (eye worm) hypothetical protein 0.0152 0.1949 0.449
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0385 0.2678
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0038 0.0376 0.0865
Loa Loa (eye worm) MH2 domain-containing protein 0.012 0.1507 0.3471
Loa Loa (eye worm) hypothetical protein 0.0115 0.1438 0.3312
Echinococcus multilocularis importin subunit beta 1 0.003 0.027 0.0621
Schistosoma mansoni ferritin 0.0019 0.0111 0.0256
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.006 0.0679 0.4721
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.009 0.1091 0.2514
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0014 0.0036 0.0249
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.0079 0.094 0.3652
Mycobacterium ulcerans aldehyde dehydrogenase 0.0128 0.162 1
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0351 0.244
Loa Loa (eye worm) hypothetical protein 0.0144 0.1844 0.4248
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0036 0.0351 0.2166
Echinococcus multilocularis expressed protein 0.0019 0.0111 0.0256
Brugia malayi hypothetical protein 0.0078 0.0934 0.363
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.006 0.0679 0.419
Onchocerca volvulus Huntingtin homolog 0.0144 0.1844 1
Brugia malayi Inositol-1 0.0043 0.045 0.175
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0351 0.244
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.0099 0.0228
Loa Loa (eye worm) bromodomain containing protein 0.0019 0.0108 0.0248
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0214 0.7951
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.009 0.1091 0.2514
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.006 0.0679 0.4721
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0039 0.0385 0.0887
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0351 0.244
Schistosoma mansoni apoferritin-2 0.0019 0.0111 0.0256
Trypanosoma brucei hypothetical protein, conserved 0.0115 0.1438 1
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0039 0.0385 0.0887
Toxoplasma gondii histone lysine methyltransferase SET1 0.0063 0.0724 0.4471
Brugia malayi CXXC zinc finger family protein 0.0032 0.0293 0.1137
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0068 0.079 0.182
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0158 0.1102
Brugia malayi beta-lactamase family protein 0.0115 0.1438 0.5586
Trichomonas vaginalis sucrase-isomaltase, putative 0.0036 0.0351 0.244
Schistosoma mansoni ferritin 0.0019 0.0111 0.0256
Trichomonas vaginalis penicillin-binding protein, putative 0.0115 0.1438 1
Loa Loa (eye worm) hypothetical protein 0.0115 0.1438 0.3312
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0014 0.0036 0.0249
Brugia malayi Glycosyl hydrolases family 31 protein 0.0014 0.0036 0.0139
Echinococcus multilocularis ferritin 0.0019 0.0111 0.0256
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0197 0.2574 0.5929
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0039 0.0387 0.2082
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0065 0.075 0.1727
Loa Loa (eye worm) hypothetical protein 0.0104 0.1284 0.2959
Brugia malayi Glycosyl hydrolases family 31 protein 0.0164 0.2111 0.8203
Schistosoma mansoni hypothetical protein 0.0022 0.0151 0.0349
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0079 0.094 0.2165
Schistosoma mansoni ferritin 0.0019 0.0111 0.0256
Treponema pallidum bacterioferrin (TpF1) 0.0019 0.0111 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0115 0.1438 1
Leishmania major hypothetical protein, conserved 0.0016 0.0073 0.0451
Onchocerca volvulus Huntingtin homolog 0.0144 0.1844 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0152 0.1949 0.7572
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0351 0.244
Loa Loa (eye worm) hypothetical protein 0.0014 0.0036 0.0082
Schistosoma mansoni apoferritin-2 0.0019 0.0111 0.0256
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0039 0.0385 0.0887
Brugia malayi PHD-finger family protein 0.0028 0.0239 0.093
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.006 0.0679 0.4721
Trichomonas vaginalis importin beta-1, putative 0.0025 0.019 0.1321
Trichomonas vaginalis alpha-glucosidase, putative 0.0014 0.0036 0.0249
Leishmania major alpha glucosidase II subunit, putative 0.0036 0.0351 0.2166
Schistosoma mansoni inositol monophosphatase 0.0043 0.045 0.1037
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0039 0.0385 0.1496
Trichomonas vaginalis CMGC family protein kinase 0.006 0.0679 0.4721
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0128 0.162 0.3731
Trichomonas vaginalis penicillin-binding protein, putative 0.0115 0.1438 1
Mycobacterium tuberculosis Probable hydrolase 0.0115 0.1438 0.1341
Trichomonas vaginalis ferritin, putative 0.0019 0.0111 0.0773
Schistosoma mansoni tar DNA-binding protein 0.0197 0.2574 0.5929
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0351 0.244
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0039 0.0385 0.2678
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0115 0.1438 0.3312
Schistosoma mansoni hypothetical protein 0.0325 0.4341 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0036 0.0351 0.1363
Mycobacterium tuberculosis Conserved protein 0.0115 0.1438 0.1341
Leishmania major GTP-binding protein, putative 0.0022 0.0158 0.0978
Mycobacterium tuberculosis Conserved protein 0.0115 0.1438 0.1341
Entamoeba histolytica hypothetical protein 0.0078 0.0934 1
Mycobacterium leprae conserved hypothetical protein 0.0115 0.1438 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0043 0.045 0.3133
Loa Loa (eye worm) transcription factor SMAD2 0.012 0.1507 0.3471
Brugia malayi hypothetical protein 0.0017 0.0085 0.0329
Loa Loa (eye worm) hypothetical protein 0.0115 0.1438 0.3312
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0351 0.244
Trichomonas vaginalis CMGC family protein kinase 0.006 0.0679 0.4721
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0039 0.0385 0.3887
Trypanosoma cruzi hypothetical protein, conserved 0.0115 0.1438 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0078 0.0934 0.2153
Mycobacterium ulcerans lipase LipD 0.0115 0.1438 0.8793
Echinococcus granulosus zinc finger protein 0.0023 0.0161 0.0371
Plasmodium falciparum importin beta, putative 0.003 0.027 1
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.009 0.1091 0.2514
Echinococcus granulosus expressed protein 0.0019 0.0111 0.0256
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0039 0.0385 0.0887
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.006 0.0679 0.4721
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.006 0.0679 0.419
Trichomonas vaginalis alpha-glucosidase, putative 0.0014 0.0036 0.0249
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0115 0.1438 0.5586
Brugia malayi F/Y-rich N-terminus family protein 0.0012 0.0012 0.0048
Loa Loa (eye worm) RNA binding protein 0.0197 0.2574 0.5929
Echinococcus granulosus mitogen activated protein kinase 0.006 0.0679 0.1564
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0022 0.0158 0.1102
Schistosoma mansoni inositol monophosphatase 0.0043 0.045 0.1037
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0022 0.0158 0.0978
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0043 0.045 0.278
Schistosoma mansoni ferritin 0.0019 0.0111 0.0256
Schistosoma mansoni cpg binding protein 0.0036 0.0346 0.0797
Onchocerca volvulus 0.0032 0.0293 0.142
Onchocerca volvulus 0.0115 0.1438 0.7752
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0351 0.244
Mycobacterium ulcerans aldehyde dehydrogenase 0.0128 0.162 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0115 0.1438 0.3312
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0115 0.1438 0.1341
Echinococcus granulosus tar DNA binding protein 0.0197 0.2574 0.5929
Schistosoma mansoni aldehyde dehydrogenase 0.0128 0.162 0.3731
Leishmania major importin beta-1 subunit, putative 0.0025 0.019 0.1173
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0214 0.1491

Activities

Activity type Activity value Assay description Source Reference
Inhibition frequency index (IFI) (functional) = 6.62 Inhibition Frequency Index (IFI) GSK. 20485427
Percent growth inhibition (functional) = -2 % Percent inhibition of P. falciparum lactate dehydrogenase activity (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 11 % Percent inhibition of HepG2 growth (at 10 uM) GSK. 20485427
Percent growth inhibition (functional) = 95 % Percent inhibition of P. falciparum 3D7 growth (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 98 % Percent inhibition of P. falciparum Dd2 growth (at 2 uM) GSK. 20485427
XC50 (functional) = 6.02 XC50 determination of P. falciparum 3D7 growth GSK. 20485427

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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