Detailed information for compound 188468

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 787.899 | Formula: C38H57N7O11
  • H donors: 8 H acceptors: 11 LogP: 1.25 Rotable bonds: 29
    Rule of 5 violations (Lipinski): 4
  • SMILES: CCCC(C(=O)NCc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@H](NC(=O)[C@H](NC(=O)C)CC(=O)O)CC(=O)O
  • InChi: 1S/C38H57N7O11/c1-7-13-25(33(51)39-20-24-14-10-9-11-15-24)41-36(54)28-16-12-17-45(28)38(56)31(21(3)4)43-37(55)32(22(5)8-2)44-35(53)27(19-30(49)50)42-34(52)26(18-29(47)48)40-23(6)46/h9-11,14-15,21-22,25-28,31-32H,7-8,12-13,16-20H2,1-6H3,(H,39,51)(H,40,46)(H,41,54)(H,42,52)(H,43,55)(H,44,53)(H,47,48)(H,49,50)/t22?,25?,26-,27+,28-,31-,32-/m0/s1
  • InChiKey: SDJZZUWGQQRKKX-MYCOMZCQSA-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
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0796 0.3024 0.4169
Echinococcus granulosus sentrin specific protease 1 0.0047 0.008 0.008
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.0021 0.0021
Echinococcus multilocularis Tubulin beta 2C chain 0.0054 0.0108 0.0097
Echinococcus multilocularis tubulin epsilon chain 0.0035 0.0031 0.002
Schistosoma mansoni tubulin subunit beta 0.0054 0.0108 0.0107
Loa Loa (eye worm) hypothetical protein 0.0034 0.0029 0.0028
Echinococcus granulosus aurora kinase A 0.005 0.0091 0.0091
Trichomonas vaginalis tubulin beta chain, putative 0.0054 0.0106 0.0909
Trichomonas vaginalis glutaminase, putative 0.0275 0.0976 1
Mycobacterium tuberculosis Conserved protein 0.0032 0.0019 0.5
Echinococcus multilocularis Tubulin beta 2C chain 0.0054 0.0108 0.0097
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0189 0.0638 0.0638
Leishmania major alpha tubulin 0.0054 0.0106 0.0121
Echinococcus multilocularis phosphoglycerate mutase 0.0032 0.0019 0.0008
Schistosoma mansoni tubulin subunit gamma 0.0035 0.0031 0.003
Loa Loa (eye worm) AUR protein kinase 0.005 0.0091 0.009
Schistosoma mansoni tubulin subunit alpha 0.0054 0.0106 0.0105
Schistosoma mansoni tyrosine kinase 0.0073 0.0182 0.018
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1866 0.7226 1
Leishmania major alpha tubulin 0.0054 0.0106 0.0121
Loa Loa (eye worm) tubulin alpha chain 0.0054 0.0106 0.0105
Onchocerca volvulus 0.0148 0.0476 0.0633
Schistosoma mansoni hypothetical protein 0.0032 0.0021 0.002
Schistosoma mansoni hypothetical protein 0.0032 0.0019 0.0018
Mycobacterium ulcerans hypothetical protein 0.1102 0.4222 1
Loa Loa (eye worm) hypothetical protein 0.1866 0.7226 0.7226
Echinococcus granulosus geminin 0.0171 0.0565 0.0565
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.005 0.0091 0.017
Leishmania major alpha tubulin 0.0054 0.0106 0.0121
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0076 0.0076
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0258 0.091 0.0892
Leishmania major beta tubulin 0.0054 0.0108 0.0123
Loa Loa (eye worm) hypothetical protein 0.0054 0.0106 0.0105
Echinococcus granulosus tubulin gamma 1 chain 0.0035 0.0031 0.0031
Echinococcus granulosus tubulin alpha 3 chain 0.0054 0.0106 0.0106
Trypanosoma brucei alpha tubulin 0.0054 0.0106 0.0121
Echinococcus granulosus tubulin alpha 1C chain 0.0054 0.0106 0.0106
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1835 0.7103 0.9828
Echinococcus multilocularis serine:threonine protein phosphatase PGAM5 0.0032 0.0019 0.0008
Echinococcus multilocularis aurora kinase A 0.005 0.0091 0.008
Leishmania major beta tubulin 0.0054 0.0108 0.0123
Echinococcus granulosus phosphoglycerate mutase 0.0032 0.0019 0.0019
Loa Loa (eye worm) hypothetical protein 0.0029 0.0011 0.001
Schistosoma mansoni tubulin subunit beta 0.0054 0.0108 0.0107
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0047 0.008 0.0631
Mycobacterium leprae probable isochorismate synthase EntC 0.0032 0.0019 0.5
Schistosoma mansoni tubulin subunit beta 0.0054 0.0108 0.0107
Leishmania major beta tubulin 0.0054 0.0108 0.0123
Schistosoma mansoni tyrosine kinase 0.007 0.017 0.0169
Leishmania major alpha tubulin 0.0054 0.0106 0.0121
Loa Loa (eye worm) hypothetical protein 0.0032 0.0019 0.0018
Echinococcus multilocularis tubulin, beta 4A class IVa 0.0054 0.0108 0.0097
Echinococcus multilocularis tubulin alpha chain 0.0054 0.0106 0.0095
Brugia malayi Tubulin gamma chain 0.0035 0.0031 0.0012
Brugia malayi Furin-like cysteine rich region family protein 0.0134 0.0421 0.0402
Schistosoma mansoni serine/threonine protein kinase 0.005 0.0091 0.009
Loa Loa (eye worm) hypothetical protein 0.0032 0.0021 0.002
Leishmania major beta tubulin 0.0054 0.0108 0.0123
Loa Loa (eye worm) hypothetical protein 0.0047 0.008 0.0079
Loa Loa (eye worm) lipocalin/cytosolic fatty-acid binding protein family protein 0.0582 0.2183 0.2182
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0027 0.0001 0.0001
Echinococcus multilocularis tubulin alpha 3 chain 0.0054 0.0106 0.0095
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0044 0.0069 0.0058
Echinococcus granulosus Tubulin alpha 1 chain 0.0054 0.0106 0.0106
Schistosoma mansoni hypothetical protein 0.0032 0.0021 0.002
Trichomonas vaginalis AGC family protein kinase 0.005 0.0091 0.0748
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0309 0.1109 0.1108
Echinococcus granulosus Tubulin beta 2C chain 0.0054 0.0108 0.0108
Toxoplasma gondii alpha-tubulin I, putative 0.0054 0.0106 0.5326
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.005 0.0091 0.017
Plasmodium vivax tubulin epsilon chain, putative 0.0035 0.0031 0.1367
Loa Loa (eye worm) tubulin alpha-2 chain 0.0054 0.0106 0.0105
Echinococcus granulosus beta tubulin 0.0054 0.0108 0.0108
Leishmania major beta tubulin 0.0054 0.0108 0.0123
Chlamydia trachomatis 2,3-bisphosphoglycerate-dependent phosphoglycerate mutase 0.0032 0.0019 0.5
Mycobacterium ulcerans glutaminase 0.0275 0.0976 0.2276
Echinococcus multilocularis epidermal growth factor receptor 0.0134 0.0421 0.041
Echinococcus granulosus Tubulin beta 2C chain 0.0054 0.0108 0.0108
Trypanosoma cruzi aurora B kinase, putative 0.005 0.0091 0.0099
Brugia malayi serine/threonine protein kinase 6 0.005 0.0091 0.0072
Loa Loa (eye worm) tubulin beta chain 0.0054 0.0108 0.0107
Brugia malayi Tubulin alpha-2 chain 0.0054 0.0106 0.0087
Schistosoma mansoni tubulin subunit beta 0.0054 0.0108 0.0107
Mycobacterium leprae Possible phosphoglycerate mutase 0.0032 0.0019 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.004 0.0039
Schistosoma mansoni tubulin subunit alpha 0.0054 0.0106 0.0105
Schistosoma mansoni hypothetical protein 0.2573 1 1
Trypanosoma cruzi epsilon tubulin, putative 0.0035 0.0031 0.0017
Loa Loa (eye worm) hypothetical protein 0.0258 0.091 0.0909
Echinococcus multilocularis phosphoglycerate mutase 0.0032 0.0019 0.0008
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0076 0.0065
Trichomonas vaginalis tubulin beta chain, putative 0.0054 0.0106 0.0909
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.0021 0.001
Schistosoma mansoni fatty acid binding protein 0.0582 0.2183 0.2182
Trypanosoma brucei tubulin gamma chain 0.0035 0.0031 0.0017
Mycobacterium tuberculosis Conserved hypothetical protein 0.0032 0.0019 0.5
Leishmania major protein kinase, putative 0.005 0.0091 0.0099
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0047 0.008 0.0144
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0034 0.0029 0.0106
Echinococcus granulosus tubulin epsilon chain 0.0035 0.0031 0.0031
Brugia malayi latrophilin 2 splice variant baaae 0.0069 0.0167 0.0148
Giardia lamblia Beta tubulin 0.0054 0.0108 0.0182
Brugia malayi Tubulin beta-1 chain 0.0054 0.0108 0.0088
Brugia malayi alpha-tubulin 0.0054 0.0106 0.0087
Echinococcus multilocularis fatty acid binding protein FABP2 0.0582 0.2183 0.2174
Schistosoma mansoni fatty acid binding protein 0.0582 0.2183 0.2182
Trichomonas vaginalis tubulin beta chain, putative 0.0054 0.0106 0.0909
Echinococcus granulosus alpha tubulin 0.0054 0.0106 0.0106
Echinococcus granulosus tubulin subunit beta 0.0054 0.0108 0.0108
Entamoeba histolytica tubulin gamma chain 0.0035 0.0031 0.0029
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0039 0.0047 0.0293
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0796 0.3024 0.4169
Schistosoma mansoni alpha tubulin 0.0054 0.0106 0.0105
Echinococcus granulosus epidermal growth factor receptor 0.0134 0.0421 0.0421
Plasmodium falciparum sentrin-specific protease 1 0.0047 0.008 0.6838
Schistosoma mansoni tubulin subunit beta 0.0054 0.0108 0.0107
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0047 0.008 0.0061
Echinococcus granulosus tubulin subunit TubB 0.0054 0.0106 0.0106
Schistosoma mansoni phosphoglycerate mutase 0.0032 0.0019 0.0018
Plasmodium falciparum alpha tubulin 1 0.0054 0.0106 0.9847
Plasmodium falciparum alpha tubulin 2 0.0054 0.0106 0.9847
Leishmania major beta tubulin 0.0054 0.0108 0.0123
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0076 0.0076
Leishmania major beta tubulin 0.0054 0.0108 0.0123
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0035 0.0031 0.0739
Trypanosoma brucei alpha tubulin 0.0054 0.0106 0.0121
Schistosoma mansoni hypothetical protein 0.2573 1 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0054 0.0108 0.0923
Echinococcus multilocularis tubulin beta 1 chain 0.0054 0.0108 0.0097
Echinococcus multilocularis epidermal growth factor receptor 0.0073 0.0182 0.0171
Echinococcus multilocularis phosphoglycerate mutase 0.0032 0.0019 0.0008
Leishmania major beta tubulin 0.0054 0.0108 0.0123
Echinococcus granulosus tubulin alpha chain 0.0054 0.0106 0.0106
Echinococcus multilocularis phosphoglycerate mutase 0.0032 0.0019 0.0008
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0796 0.3024 0.4169
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1866 0.7226 1
Leishmania major beta tubulin 0.0054 0.0108 0.0123
Schistosoma mansoni tyrosine kinase 0.007 0.017 0.0169
Plasmodium vivax tubulin alpha chain, putative 0.0054 0.0106 0.9847
Schistosoma mansoni phosphoglycerate mutase 0.0032 0.0019 0.0018
Brugia malayi tubulin alpha-2 chain 0.0054 0.0106 0.0087
Mycobacterium ulcerans fructose-2,6-bisphosphatase GpmB 0.1102 0.4222 1
Leishmania major beta tubulin 0.0054 0.0108 0.0123
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0189 0.0638 0.0628
Echinococcus multilocularis tubulin subunit beta 0.0054 0.0108 0.0097
Echinococcus multilocularis beta tubulin 0.0054 0.0108 0.0097
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1866 0.7226 1
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0073 0.0182 0.0182
Trichomonas vaginalis tubulin beta chain, putative 0.0054 0.0106 0.0909
Leishmania major alpha tubulin 0.0054 0.0106 0.0121
Trypanosoma brucei beta tubulin 0.0054 0.0108 0.0123
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0021 0.0002
Brugia malayi hypothetical protein 0.0037 0.004 0.0021
Echinococcus multilocularis tubulin gamma 1 chain 0.0035 0.0031 0.002
Schistosoma mansoni 6-phosphofructokinase 0.1866 0.7226 0.7226
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0076 0.0075
Leishmania major epsilon tubulin, putative 0.0035 0.0031 0.0017
Echinococcus granulosus tubulin alpha chain 0.0054 0.0106 0.0106
Loa Loa (eye worm) tubulin beta-2A chain 0.0054 0.0108 0.0107
Giardia lamblia Beta tubulin 0.0054 0.0108 0.0182
Leishmania major alpha tubulin 0.0054 0.0106 0.0121
Leishmania major alpha tubulin 0.0054 0.0106 0.0121
Entamoeba histolytica protein kinase, putative 0.005 0.0091 0.017
Loa Loa (eye worm) tubulin beta-4 chain 0.0054 0.0108 0.0107
Entamoeba histolytica phosphoglycerate mutase family protein, putative 0.1102 0.4222 1
Echinococcus granulosus roundabout 2 0.0029 0.0011 0.0011
Schistosoma mansoni hypothetical protein 0.0032 0.0021 0.002
Loa Loa (eye worm) TK/INSR protein kinase 0.0044 0.0069 0.0068
Echinococcus multilocularis fatty acid binding protein FABP2 0.0582 0.2183 0.2174
Trichomonas vaginalis tubulin epsilon chain, putative 0.0054 0.0106 0.0909
Echinococcus granulosus Tubulin alpha 1 chain 0.0054 0.0106 0.0106
Giardia lamblia Beta tubulin 0.0054 0.0108 0.0182
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0076 0.0057
Trypanosoma brucei epsilon tubulin 0.0035 0.0031 0.0017
Echinococcus multilocularis peroxisome assembly protein 26 0.0054 0.0106 0.0095
Schistosoma mansoni alpha tubulin 0.0054 0.0106 0.0105
Schistosoma mansoni tyrosine kinase 0.0044 0.0069 0.0068
Loa Loa (eye worm) AUR protein kinase 0.005 0.0091 0.009
Trichomonas vaginalis tubulin beta chain, putative 0.0054 0.0108 0.0923
Echinococcus granulosus Tubulin beta 2C chain 0.0054 0.0108 0.0108
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0076 0.0075
Entamoeba histolytica hypothetical protein 0.0037 0.004 0.005
Giardia lamblia Alpha-tubulin 0.0054 0.0106 0.0179
Leishmania major alpha tubulin 0.0054 0.0106 0.0121
Trypanosoma brucei epsilon tubulin 0.0035 0.0031 0.0017
Trichomonas vaginalis AGC family protein kinase 0.005 0.0091 0.0748
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.1835 0.7103 0.9828
Echinococcus multilocularis serine:threonine protein phosphatase PGAM5 0.0032 0.0019 0.0008
Mycobacterium leprae conserved hypothetical protein 0.0032 0.0019 0.5
Plasmodium vivax tubulin gamma chain, putative 0.0035 0.0031 0.1367
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.005 0.0091 0.008
Loa Loa (eye worm) indoleamine 2,3-dioxygenase 0.2573 1 1
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.005 0.0091 0.017
Trichomonas vaginalis tubulin beta chain, putative 0.0054 0.0106 0.0909
Echinococcus multilocularis beta tubulin 0.0054 0.0108 0.0097
Brugia malayi serine/threonine-protein kinase 6 0.005 0.0091 0.0072
Leishmania major beta tubulin 0.0054 0.0108 0.0123
Schistosoma mansoni hypothetical protein 0.0032 0.0019 0.0018
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase-1-like protein 0.0796 0.3024 0.4169
Plasmodium falciparum tubulin beta chain 0.0054 0.0108 1
Brugia malayi tubulin alpha chain - mouse 0.0054 0.0106 0.0087
Schistosoma mansoni protein kinase 0.005 0.0091 0.009
Schistosoma mansoni hypothetical protein 0.0037 0.004 0.0039
Brugia malayi Lipocalin / cytosolic fatty-acid binding protein family protein 0.0582 0.2183 0.2168
Echinococcus multilocularis tubulin alpha 1C chain 0.0054 0.0106 0.0095
Giardia lamblia Alpha-tubulin 0.0054 0.0106 0.0179
Echinococcus multilocularis Tubulin alpha 1 chain 0.0054 0.0106 0.0095
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0039 0.0047 0.0046
Entamoeba histolytica protein kinase , putative 0.005 0.0091 0.017
Entamoeba histolytica tubulin family protein 0.0054 0.0108 0.021
Schistosoma mansoni hypothetical protein 0.0032 0.0021 0.002
Echinococcus granulosus epidermal growth factor receptor 0.0073 0.0182 0.0182
Schistosoma mansoni tyrosine kinase 0.0044 0.0069 0.0068
Echinococcus granulosus phosphoglycerate mutase 0.0032 0.0019 0.0019
Loa Loa (eye worm) TK/EGFR protein kinase 0.0134 0.0421 0.0419
Trichomonas vaginalis tubulin, putative 0.0054 0.0108 0.0923
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0021 0.0002
Giardia lamblia Hypothetical protein 0.1102 0.4222 1
Treponema pallidum phosphoglyceromutase 0.0032 0.0019 0.5
Echinococcus multilocularis Tubulin alpha 1 chain 0.0054 0.0106 0.0095
Loa Loa (eye worm) tubulin gamma chain 0.0035 0.0031 0.003
Schistosoma mansoni hypothetical protein 0.0032 0.0019 0.0018
Entamoeba histolytica hypothetical protein 0.0037 0.004 0.005
Loa Loa (eye worm) tubulin beta-1 chain 0.0054 0.0108 0.0107
Mycobacterium leprae PROBABLE PHOSPHOGLYCERATE MUTASE (PHOSPHOGLYCEROMUTASE) 0.0032 0.0019 0.5
Loa Loa (eye worm) phosphoglycerate mutase 0.0032 0.0019 0.0018
Leishmania major beta tubulin 0.0054 0.0108 0.0123
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0047 0.008 0.0079
Trypanosoma brucei aurora B kinase 0.005 0.0091 0.0099
Echinococcus multilocularis hypothetical protein 0.0054 0.0106 0.0095
Trichomonas vaginalis tubulin gamma chain, putative 0.0035 0.0031 0.0126
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1866 0.7226 1
Toxoplasma gondii beta-1 tubulin, putative 0.0054 0.0108 0.5409
Trichomonas vaginalis tubulin beta chain, putative 0.0054 0.0106 0.0909
Echinococcus granulosus Tubulin beta 2C chain 0.0054 0.0108 0.0108
Giardia lamblia Hypothetical protein 0.1102 0.4222 1
Echinococcus granulosus insulin receptor 0.0044 0.0069 0.0069
Echinococcus granulosus tubulin alpha chain 0.0054 0.0106 0.0106
Loa Loa (eye worm) tubulin alpha 2 0.0039 0.0047 0.0046
Echinococcus multilocularis insulin receptor 0.0044 0.0069 0.0058
Mycobacterium ulcerans catalase KatE 0.0073 0.0183 0.0388
Plasmodium falciparum tubulin gamma chain 0.0035 0.0031 0.1367
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0309 0.1109 0.1092
Mycobacterium tuberculosis Possible phosphoglycerate mutase Gpm2 (phosphoglyceromutase) (PGAM) (BPG-dependent PGAM) 0.0032 0.0019 0.5
Echinococcus multilocularis phosphoglycerate mutase 0.0032 0.0019 0.0008
Mycobacterium tuberculosis Glucosyl-3-phosphoglycerate phosphatase GpgP 0.0032 0.0019 0.5
Loa Loa (eye worm) alpha-tubulin 0.0054 0.0106 0.0105
Loa Loa (eye worm) BEN-1 protein 0.0054 0.0108 0.0107
Echinococcus multilocularis tubulin alpha chain 0.0054 0.0106 0.0095
Echinococcus granulosus indoleamine 23 dioxygenase 2 0.2573 1 1
Echinococcus multilocularis geminin 0.0171 0.0565 0.0555
Leishmania major beta tubulin 0.0054 0.0108 0.0123
Schistosoma mansoni alpha tubulin 0.0054 0.0106 0.0105
Plasmodium vivax tubulin alpha chain, putative 0.0054 0.0106 0.9847
Brugia malayi glutaminase DH11.1 0.0275 0.0976 0.0959
Schistosoma mansoni hypothetical protein 0.0032 0.0019 0.0018
Brugia malayi Calcitonin receptor-like protein seb-1 0.0101 0.0293 0.0274
Loa Loa (eye worm) hypothetical protein 0.0032 0.0019 0.0018
Echinococcus granulosus serine:threonine protein phosphatase PGAM5 0.0032 0.0019 0.0019
Schistosoma mansoni hypothetical protein 0.0069 0.0167 0.0166
Loa Loa (eye worm) hypothetical protein 0.0039 0.0047 0.0046
Loa Loa (eye worm) hypothetical protein 0.1835 0.7103 0.7102
Mycobacterium tuberculosis Probable phosphoglycerate mutase (phosphoglyceromutase) (phosphoglycerate phosphomutase) 0.0032 0.0019 0.5
Brugia malayi beta-tubulin, identical 0.0054 0.0108 0.0088
Leishmania major gamma-tubulin 0.0035 0.0031 0.0017
Trichomonas vaginalis tubulin epsilon chain, putative 0.0054 0.0106 0.0909
Trypanosoma cruzi alpha tubulin, putative 0.0054 0.0106 0.0121
Trichomonas vaginalis tubulin epsilon chain, putative 0.0054 0.0108 0.0923
Loa Loa (eye worm) beta-tubulin 0.0054 0.0108 0.0107
Mycobacterium leprae conserved hypothetical protein 0.0032 0.0019 0.5
Echinococcus granulosus Tubulin alpha 1 chain 0.0054 0.0106 0.0106
Echinococcus granulosus tubulin beta 4A class IVa 0.0054 0.0108 0.0108
Loa Loa (eye worm) BEN-1 protein 0.0054 0.0108 0.0107
Echinococcus granulosus phosphoglycerate mutase 0.0032 0.0019 0.0019
Plasmodium vivax sentrin-specific protease 1, putative 0.0047 0.008 0.6838
Giardia lamblia Aurora kinase 0.005 0.0091 0.0142
Entamoeba histolytica tubulin alpha-1 chain 0.0054 0.0106 0.0207
Loa Loa (eye worm) hypothetical protein 0.0069 0.0167 0.0166
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0076 0.0075
Echinococcus granulosus tubulin alpha chain 0.0054 0.0106 0.0106
Schistosoma mansoni hypothetical protein 0.0171 0.0565 0.0564
Trypanosoma brucei alpha tubulin 0.0054 0.0106 0.0121
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0177 0.0593 0.0592
Echinococcus multilocularis tubulin alpha chain 0.0054 0.0106 0.0095
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0021 0.002
Trichomonas vaginalis AGC family protein kinase 0.005 0.0091 0.0748
Schistosoma mansoni glutaminase 0.0275 0.0976 0.0975
Echinococcus multilocularis tubulin alpha chain 0.0054 0.0106 0.0095
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0101 0.0293 0.0292
Mycobacterium tuberculosis Probable conserved lipoprotein LpqD 0.0032 0.0019 0.5
Echinococcus granulosus GPCR family 2 0.0032 0.0021 0.0021
Trichomonas vaginalis tubulin alpha chain, putative 0.0054 0.0108 0.0923
Schistosoma mansoni tyrosine kinase 0.007 0.017 0.0169
Echinococcus multilocularis 6 phosphofructo 2 kinase:fructose 2 0.1866 0.7226 0.7223
Loa Loa (eye worm) glutaminase 0.0275 0.0976 0.0975
Echinococcus multilocularis sentrin specific protease 1 0.0047 0.008 0.0069
Loa Loa (eye worm) hypothetical protein 0.0029 0.0011 0.001
Plasmodium vivax serine/threonine protein kinase 6, putative 0.005 0.0091 0.8107
Plasmodium falciparum tubulin epsilon chain, putative 0.0035 0.0031 0.1367
Echinococcus multilocularis tubulin alpha 1C chain 0.0054 0.0106 0.0095
Echinococcus multilocularis Tubulin beta 2C chain 0.0054 0.0108 0.0097
Leishmania major beta tubulin 0.0054 0.0108 0.0123
Echinococcus multilocularis tubulin alpha 0.0035 0.0031 0.002
Entamoeba histolytica tubulin alpha chain, putative 0.0054 0.0106 0.0207
Loa Loa (eye worm) tubulin alpha-3 chain 0.0034 0.0029 0.0028
Echinococcus granulosus 6 phosphofructo 2 kinase:fructose 2 0.1866 0.7226 0.7226
Loa Loa (eye worm) alpha-tubulin 0.0054 0.0106 0.0105
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0076 0.0075
Trypanosoma brucei beta tubulin 0.0054 0.0108 0.0123
Brugia malayi Protein kinase domain containing protein 0.0044 0.0069 0.005
Leishmania major beta tubulin 0.0054 0.0108 0.0123
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.004 0.0029
Schistosoma mansoni hypothetical protein 0.0032 0.0019 0.0018
Echinococcus multilocularis tubulin subunit TubB 0.0054 0.0106 0.0095
Loa Loa (eye worm) tubulin alpha 2 0.0039 0.0047 0.0046
Mycobacterium tuberculosis PE-PGRS family protein PE_PGRS11 0.0032 0.0019 0.5
Plasmodium vivax tubulin beta chain, putative 0.0054 0.0108 1
Echinococcus multilocularis indoleamine 2,3 dioxygenase 2 0.2573 1 1
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.1835 0.7103 0.9828
Onchocerca volvulus 0.1866 0.7226 1
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0309 0.1109 0.1099
Toxoplasma gondii beta tubulin 0.0054 0.0108 0.5409
Leishmania major alpha tubulin 0.0054 0.0106 0.0121
Loa Loa (eye worm) tubulin alpha chain 0.0054 0.0106 0.0105
Leishmania major alpha tubulin 0.0054 0.0106 0.0121
Onchocerca volvulus Tyrosine kinase homolog 0.0153 0.0497 0.0663
Toxoplasma gondii aurora kinase 0.005 0.0091 0.4385
Trypanosoma brucei 6-phosphofructo-2-kinase 2 0.1835 0.7103 0.9828
Toxoplasma gondii Ulp1 protease family, C-terminal catalytic domain-containing protein 0.0047 0.008 0.3699
Leishmania major beta tubulin 0.0054 0.0108 0.0123
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0047 0.008 0.0079
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0309 0.1109 0.1109
Loa Loa (eye worm) hypothetical protein 0.0032 0.0019 0.0018
Toxoplasma gondii catalase 0.0073 0.0183 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0054 0.0108 0.0097
Trichomonas vaginalis AGC family protein kinase 0.005 0.0091 0.0748
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0044 0.0069 0.0069
Echinococcus granulosus peroxisome assembly protein 26 0.0054 0.0106 0.0106
Schistosoma mansoni hypothetical protein 0.0171 0.0565 0.0564
Loa Loa (eye worm) hypothetical protein 0.0032 0.0019 0.0018
Echinococcus granulosus phosphoglycerate mutase 0.0032 0.0019 0.0019
Brugia malayi Tubulin alpha-2 chain 0.0054 0.0106 0.0087
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0054 0.0106 0.0909
Trypanosoma brucei epsilon tubulin 0.0035 0.0031 0.0017
Loa Loa (eye worm) hypothetical protein 0.107 0.4098 0.4098
Toxoplasma gondii alpha tubulin TUBA1 0.0054 0.0106 0.5326
Echinococcus multilocularis Tubulin alpha 1 chain 0.0054 0.0106 0.0095
Brugia malayi Immunoglobulin I-set domain containing protein 0.0177 0.0593 0.0574
Echinococcus granulosus tubulin alpha 3 chain 0.0054 0.0106 0.0106
Mycobacterium leprae PROBABLE PHOSPHOGLYCERATE MUTASE 1 GPM1 (PHOSPHOGLYCEROMUTASE) (PGAM) (BPG-DEPENDENT PGAM) 0.0032 0.0019 0.5
Plasmodium falciparum serine/threonine protein kinase, putative 0.005 0.0091 0.8107
Echinococcus granulosus serine:threonine protein phosphatase PGAM5 0.0032 0.0019 0.0019
Entamoeba histolytica hypothetical protein 0.0037 0.004 0.005
Leishmania major beta tubulin 0.0054 0.0108 0.0123
Mycobacterium tuberculosis Possible hydrolase MutT1 0.0032 0.0019 0.5
Brugia malayi serine/threonine kinase 12 0.005 0.0091 0.0072
Entamoeba histolytica protein kinase domain containing protein 0.005 0.0091 0.017
Leishmania major beta tubulin 0.0054 0.0108 0.0123
Trypanosoma brucei beta tubulin 0.0035 0.0031 0.0017
Echinococcus granulosus serine:threonine protein kinase 12 B 0.005 0.0091 0.0091
Echinococcus granulosus fatty acid binding protein FABP2 0.0582 0.2183 0.2183
Trypanosoma brucei beta tubulin 0.0054 0.0108 0.0123
Echinococcus multilocularis phosphoglycerate mutase 0.0032 0.0019 0.0008
Trypanosoma brucei beta tubulin 0.0054 0.0108 0.0123
Leishmania major alpha tubulin 0.0054 0.0106 0.0121
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.0309 0.1109 0.1108
Trypanosoma brucei alpha tubulin 0.0054 0.0106 0.0121
Echinococcus multilocularis Tubulin beta 2C chain 0.0054 0.0108 0.0097
Schistosoma mansoni tubulin subunit epsilon 0.0035 0.0031 0.003
Trypanosoma cruzi tubulin gamma chain 0.0035 0.0031 0.0017
Entamoeba histolytica protein kinase, putative 0.005 0.0091 0.017
Schistosoma mansoni hypothetical protein 0.0032 0.0019 0.0018
Entamoeba histolytica tubulin family protein 0.0054 0.0108 0.021
Echinococcus granulosus tubulin alpha 0.0035 0.0031 0.0031
Echinococcus granulosus tubulin beta 1 chain 0.0054 0.0108 0.0108
Loa Loa (eye worm) glutaminase 2 0.0275 0.0976 0.0975
Brugia malayi Tubulin alpha chain 0.0054 0.0106 0.0087
Echinococcus granulosus fatty acid binding protein FABP2 0.0582 0.2183 0.2183
Trypanosoma cruzi beta tubulin, putative 0.0054 0.0108 0.0123
Echinococcus multilocularis GPCR, family 2 0.0032 0.0021 0.001
Mycobacterium tuberculosis Conserved protein 0.0032 0.0019 0.5
Entamoeba histolytica hypothetical protein 0.0037 0.004 0.005
Echinococcus granulosus beta tubulin 0.0054 0.0108 0.0108
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0076 0.0065
Trichomonas vaginalis tubulin gamma chain, putative 0.0054 0.0108 0.0923
Echinococcus multilocularis tubulin alpha 3 chain 0.0054 0.0106 0.0095
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.004 0.004
Schistosoma mansoni tyrosine kinase 0.0073 0.0182 0.018
Schistosoma mansoni tubulin subunit beta 0.0054 0.0108 0.0107
Trichomonas vaginalis tubulin alpha chain, putative 0.0035 0.0031 0.0126
Trichomonas vaginalis tubulin gamma chain, putative 0.0035 0.0031 0.0126
Mycobacterium leprae POSSIBLE HYDROLASE MUTT1 0.0032 0.0019 0.5
Echinococcus multilocularis 0.0041 0.0055 0.0044
Echinococcus granulosus tubulin alpha chain 0.0054 0.0106 0.0106
Leishmania major alpha tubulin 0.0054 0.0106 0.0121
Toxoplasma gondii beta-tubulin, putative 0.0054 0.0108 0.5409
Echinococcus granulosus phosphoglycerate mutase 0.0032 0.0019 0.0019
Mycobacterium leprae conserved hypothetical protein 0.0032 0.0019 0.5
Echinococcus multilocularis tubulin alpha chain 0.0054 0.0106 0.0095
Trypanosoma cruzi epsilon tubulin, putative 0.0035 0.0031 0.0017
Schistosoma mansoni tyrosine kinase 0.0134 0.0421 0.0419
Schistosoma mansoni tubulin subunit alpha 0.0054 0.0106 0.0105
Echinococcus granulosus Tubulin beta 2C chain 0.0054 0.0108 0.0108
Echinococcus granulosus tubulin alpha 1C chain 0.0054 0.0106 0.0106
Mycobacterium leprae Probable phosphoglycerate mutase (phosphoglyceromutase) (phosphoglycerate phosphomutase) 0.0032 0.0019 0.5
Loa Loa (eye worm) AUR protein kinase 0.005 0.0091 0.009

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.64 uM Inhibitory concentration against Protease ChEMBL. 10669559

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.

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