Detailed information for compound 596659

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 584.52 | Formula: C27H27Cl2N7O2S
  • H donors: 2 H acceptors: 5 LogP: 6.09 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 2
  • SMILES: Clc1ccc(cc1)Nc1nc2c(n1C)ccc(c2)N(c1ccnc(n1)Nc1ccc(cc1)CS(=O)(=O)C)C.Cl
  • InChi: 1S/C27H26ClN7O2S.ClH/c1-34(25-14-15-29-26(33-25)30-20-8-4-18(5-9-20)17-38(3,36)37)22-12-13-24-23(16-22)32-27(35(24)2)31-21-10-6-19(28)7-11-21;/h4-16H,17H2,1-3H3,(H,31,32)(H,29,30,33);1H
  • InChiKey: XJYFLXHUXVLXPX-UHFFFAOYSA-N  


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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
Mycobacterium ulcerans beta-lactamase 0.0041 0.0106 0.0395
Trypanosoma cruzi hypothetical protein, conserved 0.0077 0.0265 0.0984
Echinococcus multilocularis neutral alpha glucosidase AB 0.0077 0.0265 0.0263
Onchocerca volvulus Putative GMP reductase 0.0267 0.1118 0.509
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0133 0.0517 0.1928
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0032 0.0135
Brugia malayi Cathepsin L-like precursor 0.0035 0.0078 0.0284
Trichomonas vaginalis alpha-glucosidase, putative 0.0077 0.0265 0.1212
Onchocerca volvulus 0.0035 0.0078 0.0241
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0106 0.0476
Mycobacterium ulcerans inosine 5'-monophosphate dehydrogenase 0.0615 0.2674 1
Plasmodium falciparum cysteine proteinase falcipain 3 0.0035 0.0078 0.0297
Echinococcus multilocularis lysosomal alpha glucosidase 0.0346 0.1469 0.1467
Brugia malayi Glycosyl hydrolases family 31 protein 0.0346 0.1469 0.549
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0035 0.0078 0.0297
Brugia malayi beta-lactamase family protein 0.0041 0.0106 0.0387
Giardia lamblia GTOR 0.0045 0.0125 0.5
Brugia malayi inosine-5'-monophosphate dehydrogenase family protein 0.0615 0.2674 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0133 0.0517 0.1928
Loa Loa (eye worm) hypothetical protein 0.0051 0.015 0.0561
Plasmodium vivax unspecified product 0.0018 0.0002 0.0009
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0035 0.0078 0.0349
Onchocerca volvulus Cathepsin L homolog 0.0035 0.0078 0.0241
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0045 0.0125 0.3479
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0063 0.0205 0.0203
Brugia malayi Cathepsin L-like cysteine proteinase 0.0023 0.0027 0.009
Leishmania major cysteine peptidase A (CPA) 0.0035 0.0078 0.0196
Mycobacterium leprae conserved hypothetical protein 0.0041 0.0106 0.0299
Trypanosoma cruzi major cysteine proteinase, putative 0.0105 0.039 0.1451
Plasmodium vivax SET domain protein, putative 0.0063 0.0205 0.0781
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.0132 0.013
Schistosoma mansoni cathepsin F (C01 family) 0.0035 0.0078 0.0076
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0035 0.0078 0.0349
Onchocerca volvulus 0.0035 0.0078 0.0241
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0084 0.0375
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0133 0.0517 0.1928
Echinococcus multilocularis cathepsin L cysteine protease 0.0035 0.0078 0.0076
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0063 0.0205 0.0203
Trichomonas vaginalis alpha-glucosidase, putative 0.0029 0.005 0.0218
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0026 0.0099
Trichomonas vaginalis esterase, putative 0.0041 0.0106 0.0476
Leishmania major hypothetical protein, conserved 0.0041 0.0106 0.0299
Echinococcus multilocularis expressed conserved protein 0.0091 0.033 0.0327
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD) 0.0615 0.2674 1
Brugia malayi Cathepsin L-like precursor 0.0035 0.0078 0.0284
Echinococcus granulosus sterol regulatory element binding protein 0.0042 0.0108 0.0106
Trichomonas vaginalis sucrase-isomaltase, putative 0.0077 0.0265 0.1212
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0615 0.2674 1
Mycobacterium ulcerans esterase/lipase LipP 0.0041 0.0106 0.0395
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0035 0.0078 0.0349
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0262 0.1096 0.41
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0026 0.009
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0035 0.0078 0.0349
Wolbachia endosymbiont of Brugia malayi IMP dehydrogenase 0.0615 0.2674 0.5
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0029 0.005 0.0218
Loa Loa (eye worm) hypothetical protein 0.0063 0.0205 0.0768
Loa Loa (eye worm) hypothetical protein 0.0097 0.0356 0.1332
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0133 0.0517 0.1928
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0029 0.005 0.0177
Echinococcus multilocularis beta LACTamase domain containing family member 0.0041 0.0106 0.0103
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0032 0.0135
Trichomonas vaginalis alpha-glucosidase, putative 0.0077 0.0265 0.1212
Brugia malayi Glycosyl hydrolases family 31 protein 0.0029 0.005 0.0177
Brugia malayi Pre-SET motif family protein 0.0442 0.1899 0.7097
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0045 0.0125 0.0123
Onchocerca volvulus 0.02 0.0817 0.3685
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0108 0.0488
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0022 0.0018 0.0059
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0097 0.0356 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0122 0.0466 0.1734
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0035 0.0078 0.0076
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0041 0.0106 0.0387
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0615 0.2674 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0106 0.0395
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0036 0.0084 0.0217
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0026 0.0099
Brugia malayi Cathepsin L-like precursor 0.0035 0.0078 0.0284
Loa Loa (eye worm) mbt repeat family protein 0.0047 0.0132 0.0495
Onchocerca volvulus 0.0035 0.0078 0.0241
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0035 0.0078 0.0349
Trypanosoma cruzi cruzipain precursor, putative 0.0133 0.0517 0.1928
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0036 0.0084 0.0305
Trypanosoma cruzi GMP reductase 0.0615 0.2674 1
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0106 0.0476
Loa Loa (eye worm) hypothetical protein 0.0041 0.0106 0.0395
Mycobacterium tuberculosis Probable lipase LipE 0.0041 0.0106 0.0395
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0029 0.005 0.0177
Onchocerca volvulus 0.0035 0.0078 0.0241
Brugia malayi Cathepsin L-like precursor 0.0023 0.0027 0.009
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0032 0.0135
Trypanosoma cruzi cysteine peptidase, putative 0.0133 0.0517 0.1928
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0035 0.0078 0.0349
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0045 0.0125 0.0461
Plasmodium vivax vivapain-2 0.0035 0.0078 0.0297
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0029 0.005 0.0218
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0035 0.0078 0.0349
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0073 0.0327
Trypanosoma brucei glucosidase, putative 0.0077 0.0265 0.0984
Onchocerca volvulus 0.0047 0.0132 0.0493
Trypanosoma brucei GMP reductase 0.0615 0.2674 1
Loa Loa (eye worm) beta-lactamase 0.0041 0.0106 0.0395
Trypanosoma cruzi target of rapamycin kinase 3 0.0036 0.0084 0.0305
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0615 0.2674 1
Echinococcus multilocularis SAM and MBT domain containing protein 0.0047 0.0132 0.013
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0133 0.0517 0.1928
Trichomonas vaginalis PIKK family atypical protein kinase 0.0045 0.0125 0.0567
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0133 0.0517 0.1928
Plasmodium vivax vivapain-3 0.0018 0.0002 0.0009
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0047 0.0132 0.013
Onchocerca volvulus 0.0035 0.0078 0.0241
Leishmania major guanosine monophosphate reductase 0.0615 0.2674 1
Loa Loa (eye worm) fibroinase 0.0035 0.0078 0.0292
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0042 0.0184
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0054 0.0161 0.0159
Leishmania major cathepsin L-like protease 0.0035 0.0078 0.0196
Schistosoma mansoni hypothetical protein 0.004 0.0101 0.0099
Mycobacterium tuberculosis Conserved protein 0.0041 0.0106 0.0395
Trypanosoma cruzi cysteine peptidase, putative 0.0035 0.0078 0.0284
Echinococcus granulosus SAM and MBT domain containing protein 0.0047 0.0132 0.013
Schistosoma mansoni cellular tumor antigen P53 0.0052 0.0156 0.0154
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0035 0.0078 0.0349
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.0106 0.0103
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0063 0.0205 0.0508
Schistosoma mansoni hypothetical protein 0.0286 0.1201 0.1199
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0026 0.009
Leishmania major cathepsin L-like protease 0.0133 0.0517 0.1855
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0063 0.0205 0.0203
Echinococcus granulosus Niemann Pick C1 protein 0.0139 0.0542 0.054
Echinococcus multilocularis lysosomal alpha glucosidase 0.0346 0.1469 0.1467
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0615 0.2674 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0077 0.0265 0.7432
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0042 0.0184
Brugia malayi CHE-14 protein 0.0042 0.0108 0.0396
Echinococcus multilocularis sterol regulatory element binding protein 0.0042 0.0108 0.0106
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0026 0.0099
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0035 0.0078 0.0349
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0084 0.0375
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0096 0.043
Echinococcus granulosus neutral alpha glucosidase AB 0.0077 0.0265 0.0263
Onchocerca volvulus 0.0041 0.0106 0.037
Schistosoma mansoni alpha-glucosidase 0.0298 0.1254 0.1252
Echinococcus multilocularis Niemann Pick C1 protein 0.0139 0.0542 0.054
Schistosoma mansoni alpha-glucosidase 0.0298 0.1254 0.1252
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.0106 0.0476
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0035 0.0078 0.0349
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0267 0.1118 0.4177
Schistosoma mansoni alpha glucosidase 0.0077 0.0265 0.0263
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0133 0.0517 0.1928
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0133 0.0517 0.1928
Echinococcus granulosus cathepsin l cysteine peptidase 0.0035 0.0078 0.0076
Mycobacterium ulcerans hypothetical protein 0.0041 0.0106 0.0395
Trypanosoma cruzi hypothetical protein, conserved 0.0077 0.0265 0.0984
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0099 0.0363 0.036
Loa Loa (eye worm) MBCTL1 0.0054 0.0161 0.0603
Leishmania major cathepsin L-like protease 0.0035 0.0078 0.0196
Echinococcus granulosus histone acetyltransferase MYST2 0.0054 0.0161 0.0159
Schistosoma mansoni hypothetical protein 0.004 0.0101 0.0099
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.0026 0.0679
Leishmania major alpha glucosidase II subunit, putative 0.0077 0.0265 0.0902
Loa Loa (eye worm) hypothetical protein 0.0023 0.0027 0.0099
Onchocerca volvulus Cathepsin L homolog 0.0035 0.0078 0.0241
Loa Loa (eye worm) ctsf protein 0.0035 0.0078 0.0292
Brugia malayi Niemann-Pick C1 protein precursor 0.0097 0.0356 0.1324
Loa Loa (eye worm) hypothetical protein 0.0023 0.0026 0.0099
Echinococcus multilocularis cysteine protease 0.0035 0.0078 0.0076
Leishmania major cathepsin L-like protease 0.0133 0.0517 0.1855
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0035 0.0078 0.0349
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0026 0.0099
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0035 0.0078 0.0349
Toxoplasma gondii ABC1 family protein 0.0041 0.0106 0.0125
Entamoeba histolytica cysteine proteinase, putative 0.0035 0.0078 0.2143
Leishmania major cathepsin L-like protease 0.0035 0.0078 0.0196
Echinococcus granulosus tumor protein p63 0.0358 0.1523 0.1521
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.0106 0.0476
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.0106 0.0103
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0032 0.0135
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0073 0.0327
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0442 0.1899 0.71
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0084 0.0375
Echinococcus granulosus expressed conserved protein 0.0091 0.033 0.0327
Leishmania major cathepsin L-like protease 0.0133 0.0517 0.1855
Leishmania major inosine-5-monophosphate dehydrogenase 0.0615 0.2674 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0045 0.0125 0.0461
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0045 0.0125 0.0461
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0041 0.0106 0.0395
Onchocerca volvulus 0.0052 0.0156 0.0605
Onchocerca volvulus 0.0035 0.0078 0.0241
Loa Loa (eye worm) hypothetical protein 0.0035 0.0078 0.0292
Echinococcus multilocularis protein patched 0.0042 0.0108 0.0106
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0045 0.0125 0.0123
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0045 0.0125 0.0374
Loa Loa (eye worm) hypothetical protein 0.0047 0.0132 0.0495
Plasmodium vivax vivapain-2 0.0035 0.0078 0.0297
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.0132 0.013
Brugia malayi Cathepsin L-like precursor 0.0035 0.0078 0.0284
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0032 0.0135
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0035 0.0078 0.0349
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0044 0.019
Schistosoma mansoni microtubule-associated protein tau 0.2252 1 1
Schistosoma mansoni hypothetical protein 0.004 0.0101 0.0099
Echinococcus multilocularis Niemann Pick C1 protein 0.0097 0.0356 0.0354
Echinococcus multilocularis microtubule associated protein 2 0.2252 1 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0077 0.0265 0.0992
Loa Loa (eye worm) hypothetical protein 0.0041 0.0106 0.0395
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0041 0.0106 0.0395
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0035 0.0078 0.0349
Trypanosoma cruzi cysteine peptidase, putative 0.0133 0.0517 0.1928
Mycobacterium tuberculosis Probable hydrolase 0.0041 0.0106 0.0395
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0026 0.0679
Trichomonas vaginalis alpha-glucosidase, putative 0.0077 0.0265 0.1212
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0032 0.0135
Echinococcus granulosus cathepsin l1 0.0023 0.0027 0.0024
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0017 0 0.5
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0047 0.0132 0.0493
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0045 0.0125 0.0461
Plasmodium falciparum cysteine proteinase falcipain 1 0.0018 0.0002 0.0009
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0035 0.0078 0.0349
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0026 0.0099
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0045 0.0125 0.0123
Mycobacterium tuberculosis Probable lipase LipD 0.0041 0.0106 0.0395
Plasmodium falciparum inosine-5'-monophosphate dehydrogenase 0.0605 0.263 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0029 0.005 0.0218
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0023 0.0027 0.0111
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0026 0.0099
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0035 0.0078 0.0297
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0277 0.1162 0.4347
Brugia malayi Pre-SET motif family protein 0.0063 0.0205 0.076
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0185 0.0751 0.0749
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0026 0.0099
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0077 0.0265 0.7432
Schistosoma mansoni inosine-5-monophosphate dehydrogenase 0.0615 0.2674 0.2672
Loa Loa (eye worm) hypothetical protein 0.0052 0.0156 0.0584
Brugia malayi Papain family cysteine protease containing protein 0.0035 0.0078 0.0284
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0035 0.0078 0.0292
Plasmodium vivax inosine-5'-monophosphate dehydrogenase, putative 0.0605 0.263 1
Echinococcus granulosus Niemann Pick C1 protein 0.0097 0.0356 0.0354
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0063 0.0205 0.0203
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0084 0.0375
Echinococcus granulosus polycomb protein SCMH1 0.0047 0.0132 0.013
Brugia malayi mbt repeat family protein 0.0047 0.0132 0.0486
Trypanosoma cruzi GMP reductase 0.0615 0.2674 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0026 0.0099
Mycobacterium ulcerans lipase LipD 0.0041 0.0106 0.0395
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0054 0.0238
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0035 0.0078 0.0349
Mycobacterium tuberculosis Conserved protein 0.0041 0.0106 0.0395
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0041 0.0106 0.0395
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0026 0.0099
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0106 0.0476
Loa Loa (eye worm) hypothetical protein 0.0054 0.0161 0.0603
Echinococcus granulosus Protein patched homolog 1 0.0042 0.0108 0.0106
Loa Loa (eye worm) phosphatidylinositol 3 0.0045 0.0125 0.0469
Loa Loa (eye worm) hypothetical protein 0.0041 0.0106 0.0395
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0035 0.0078 0.0349
Loa Loa (eye worm) hypothetical protein 0.0029 0.005 0.0186
Loa Loa (eye worm) cysteine protease 0.0035 0.0078 0.0292
Entamoeba histolytica cysteine proteinase, putative 0.0023 0.0027 0.0682
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0106 0.0387
Brugia malayi Cathepsin L-like precursor 0.0035 0.0078 0.0284
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0073 0.0327
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0035 0.0078 0.0349
Brugia malayi beta-lactamase family protein 0.0041 0.0106 0.0387
Echinococcus granulosus cathepsin l1 0.0035 0.0078 0.0076
Plasmodium vivax hypothetical protein, conserved 0.0041 0.0106 0.0402
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0035 0.0078 0.0292
Leishmania major cathepsin L-like protease 0.0035 0.0078 0.0196
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0035 0.0078 0.0349
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0035 0.0078 0.0349
Loa Loa (eye worm) GMP reductase 0.0267 0.1118 0.4183
Trypanosoma brucei glycosyl hydrolase-like protein 0.0029 0.005 0.0177
Brugia malayi mbt repeat family protein 0.0047 0.0132 0.0486
Mycobacterium leprae PROBABLE INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE GUAB1(IMP DEHYDROGENASE) (IMPDH) (IMPD) 0.0277 0.1162 0.429
Brugia malayi beta-lactamase 0.0041 0.0106 0.0387
Trypanosoma cruzi cysteine peptidase, putative 0.0133 0.0517 0.1928
Onchocerca volvulus 0.0063 0.0205 0.0834
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0063 0.0205 0.0203
Plasmodium vivax vivapain-1 0.0018 0.0002 0.0009
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0035 0.0078 0.0349
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0032 0.0135
Brugia malayi Glycosyl hydrolases family 31 protein 0.0077 0.0265 0.0984
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0045 0.0125 0.0374
Onchocerca volvulus Uncharacterized family 31 glucosidase KIAA1161 homolog 0.0029 0.005 0.0109
Brugia malayi cathepsin L-like precursor 0.0023 0.0027 0.009
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0044 0.019
Echinococcus granulosus inosine 5' monophosphate dehydrogenase 2 0.0615 0.2674 0.2672
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0026 0.0679
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0035 0.0078 0.0076
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0346 0.1469 0.5495
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0029 0.005 0.1339
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0026 0.009
Echinococcus multilocularis cathepsin L cysteine protease 0.0035 0.0078 0.0076
Loa Loa (eye worm) hypothetical protein 0.0041 0.0106 0.0395
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0035 0.0078 0.0349
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0133 0.0517 0.1928
Echinococcus multilocularis tumor protein p63 0.0358 0.1523 0.1521
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0133 0.0517 0.1928
Trichomonas vaginalis alpha-glucosidase, putative 0.0029 0.005 0.0218
Brugia malayi Cathepsin L-like precursor 0.0035 0.0078 0.0284
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0077 0.0265 0.0738
Mycobacterium ulcerans hypothetical protein 0.0023 0.0026 0.0099
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0106 0.0387
Loa Loa (eye worm) hypothetical protein 0.0041 0.0106 0.0395
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0019 0.0006 0.0015
Brugia malayi Cathepsin L-like precursor 0.0023 0.0027 0.009
Echinococcus multilocularis cysteine protease 0.0035 0.0078 0.0076
Loa Loa (eye worm) hypothetical protein 0.0042 0.0108 0.0405
Schistosoma mansoni hypothetical protein 0.004 0.0101 0.0099
Schistosoma mansoni myelin transcription factor 1 myt1 0.0054 0.0161 0.0159
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0073 0.0327
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0185 0.0751 0.0749
Toxoplasma gondii IMP dehydrogenas 0.0615 0.2674 1
Onchocerca volvulus 0.0041 0.0106 0.037
Loa Loa (eye worm) hypothetical protein 0.0023 0.0026 0.0099
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0073 0.0327
Trichomonas vaginalis PIKK family atypical protein kinase 0.0045 0.0125 0.0567
Trichomonas vaginalis maltase-glucoamylase, putative 0.0077 0.0265 0.1212
Schistosoma mansoni cathepsin F (C01 family) 0.0023 0.0027 0.0024
Echinococcus granulosus beta LACTamase domain containing family member 0.0041 0.0106 0.0103
Echinococcus multilocularis protein dispatched 1 0.0048 0.0135 0.0132
Toxoplasma gondii cathepsin CPL 0.0035 0.0078 0.0019
Loa Loa (eye worm) hypothetical protein 0.0023 0.0027 0.0099
Onchocerca volvulus Cathepsin F homolog 0.0035 0.0078 0.0241
Echinococcus granulosus lysosomal alpha glucosidase 0.0346 0.1469 0.1467
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0044 0.019
Onchocerca volvulus 0.0035 0.0078 0.0241
Echinococcus multilocularis histone acetyltransferase MYST2 0.0054 0.0161 0.0159
Onchocerca volvulus 0.0503 0.2172 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0073 0.0327
Mycobacterium tuberculosis Probable esterase LipL 0.0041 0.0106 0.0395
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0026 0.0099
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0023 0.0027 0.0111
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena 0.0338 0.1434 0.5315
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0035 0.0078 0.0349
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0042 0.0108 0.0405
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0073 0.0327
Trichomonas vaginalis PIKK family atypical protein kinase 0.0045 0.0125 0.0567
Schistosoma mansoni patched 1 0.0042 0.0108 0.0106
Leishmania major cathepsin L-like protease 0.0035 0.0078 0.0196
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0035 0.0078 0.0349
Trichomonas vaginalis alpha-glucosidase, putative 0.0077 0.0265 0.1212
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0063 0.0205 0.0203
Trichomonas vaginalis alpha-glucosidase, putative 0.0029 0.005 0.0218
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0054 0.0161 0.0595
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.0058 0.0258
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0077 0.0265 0.1212
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0045 0.0125 0.3479
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0041 0.0106 0.0395
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0133 0.0517 0.1928
Mycobacterium tuberculosis Conserved protein 0.0041 0.0106 0.0395
Trichomonas vaginalis maltase-glucoamylase, putative 0.0029 0.005 0.0218
Trichomonas vaginalis alpha-glucosidase, putative 0.0077 0.0265 0.1212
Entamoeba histolytica cysteine protease, putative 0.0035 0.0078 0.2143
Brugia malayi GMP reductase 0.0267 0.1118 0.4177
Loa Loa (eye worm) IMP dehydrogenase 1 0.0615 0.2674 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0063 0.0205 0.0203
Trichomonas vaginalis alpha-glucosidase, putative 0.0029 0.005 0.0218
Trichomonas vaginalis set domain proteins, putative 0.0503 0.2172 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0077 0.0265 0.1212
Echinococcus granulosus cathepsin L cysteine proteinase 0.0035 0.0078 0.0076
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0267 0.1118 0.4177
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB3 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0338 0.1434 0.5361
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0041 0.0106 0.0395
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0061 0.0195 0.0193
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0035 0.0078 0.0349
Leishmania major glycosyl hydrolase-like protein 0.0029 0.005 0.0088
Echinococcus multilocularis inosine 5' monophosphate dehydrogenase 2 0.0615 0.2674 0.2672
Entamoeba histolytica cysteine proteinase, putative 0.0035 0.0078 0.2143
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0799 0.3498 0.3497
Echinococcus multilocularis polycomb protein SCMH1 0.0047 0.0132 0.013
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0605 0.263 0.9836
Onchocerca volvulus 0.0041 0.0106 0.037
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0084 0.0375
Trypanosoma brucei hypothetical protein, conserved 0.0041 0.0106 0.0387
Schistosoma mansoni cathepsin F (C01 family) 0.0035 0.0078 0.0076
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0045 0.0125 0.0461
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0054 0.0161 0.0159
Mycobacterium leprae Probable lipase LipE 0.0041 0.0106 0.0299
Loa Loa (eye worm) hypothetical protein 0.0023 0.0027 0.0099
Trypanosoma brucei inosine-5'-monophosphate dehydrogenase 0.0615 0.2674 1

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 0 % GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 LDH activity, using an LDH reporter assay. Test compounds present at 2uM ChEMBL. 20485427
Inhibition (functional) = 52 % GSK_TCMDC: Inhibition of Plasmodium falciparum Dd2 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM ChEMBL. 20485427
Inhibition (functional) = 91 % GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM. ChEMBL. 20485427
Inhibition (functional) = 97 % GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM ChEMBL. 20485427
Inhibition frequency index (IFI) (functional) = 9.85 Inhibition Frequency Index (IFI) GSK. 20485427
Percent growth inhibition (functional) = -7 % Percent inhibition of P. falciparum lactate dehydrogenase activity (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 52 % Percent inhibition of P. falciparum Dd2 growth (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 91 % Percent inhibition of HepG2 growth (at 10 uM) GSK. 20485427
Percent growth inhibition (functional) = 97 % Percent inhibition of P. falciparum 3D7 growth (at 2 uM) GSK. 20485427
XC50 (functional) = 6.12 XC50 determination of P. falciparum 3D7 growth GSK. 20485427
XC50 (functional) = 0.75765 uM GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole erythrocytes, using parasite LDH activity as an index of growth. ChEMBL. 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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