Detailed information for compound 280805

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 965.108 | Formula: C42H72N14O12
  • H donors: 14 H acceptors: 13 LogP: -2.86 Rotable bonds: 39
    Rule of 5 violations (Lipinski): 4
  • SMILES: NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CC(C)C)[C@H](O)C)CC(C)C)[C@H](CC)C)C)C)Cc1nc[nH]c1)CC(=O)N
  • InChi: 1S/C42H72N14O12/c1-10-21(6)33(41(67)54-27(12-20(4)5)40(66)56-34(24(9)57)42(68)52-26(35(45)61)11-19(2)3)55-32(60)17-47-36(62)22(7)49-37(63)23(8)50-38(64)28(13-25-16-46-18-48-25)53-39(65)29(14-30(44)58)51-31(59)15-43/h16,18-24,26-29,33-34,57H,10-15,17,43H2,1-9H3,(H2,44,58)(H2,45,61)(H,46,48)(H,47,62)(H,49,63)(H,50,64)(H,51,59)(H,52,68)(H,53,65)(H,54,67)(H,55,60)(H,56,66)/t21-,22-,23-,24+,26-,27-,28-,29-,33-,34-/m0/s1
  • InChiKey: BBHBQLLLLMLAQL-VSIZVFMCSA-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
Schistosoma mansoni pyruvate kinase 0.0039 0.0079 0.0065
Brugia malayi MAP kinase sur-1 0.1412 0.4333 0.7933
Loa Loa (eye worm) hypothetical protein 0.0082 0.0214 0.0387
Schistosoma mansoni serine/threonine protein kinase 0.0018 0.0016 0.0002
Echinococcus multilocularis pyruvate kinase 0.002 0.0021 0.0015
Onchocerca volvulus 0.0031 0.0056 0.000004247
Toxoplasma gondii protein kinase G AGC kinase family member PKG 0.0018 0.0016 0.0013
Trichomonas vaginalis phosphofructokinase, putative 0.0034 0.0065 0.0065
Brugia malayi A-kinase anchor protein 10, precursor 0.0022 0.0028 0.0045
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0011 0.0014
Trypanosoma brucei adenosine transporter 2, putative 0.0308 0.0914 0.0914
Echinococcus multilocularis protein jagged 2 0.0031 0.0056 0.005
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.3242 1 1
Echinococcus multilocularis integrin alpha 3 0.0365 0.109 0.1085
Loa Loa (eye worm) pyruvate kinase 0.0039 0.0079 0.0139
Trypanosoma cruzi nucleoside transporter 1, putative 0.0308 0.0914 0.0914
Mycobacterium ulcerans 6-phosphofructokinase 0.0127 0.0351 1
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.003 0.0053 0.0053
Trichomonas vaginalis conserved hypothetical protein 0.0022 0.0028 0.0028
Schistosoma mansoni lamin 0.0031 0.0056 0.0042
Trichomonas vaginalis CMGC family protein kinase 0.1412 0.4333 0.4333
Plasmodium falciparum histone acetyltransferase GCN5 0.0046 0.01 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0028 0.0045
Schistosoma mansoni z-protein (S1r protein) 0.0022 0.0028 0.0014
Echinococcus multilocularis cGMP dependent protein kinase 1 0.0018 0.0016 0.001
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.002 0.002 0.0006
Trichomonas vaginalis equilibrative nucleoside transporter, putative 0.0308 0.0914 0.0914
Trichomonas vaginalis conserved hypothetical protein 0.0022 0.0028 0.0028
Echinococcus granulosus cGMP dependent protein kinase 0.0018 0.0016 0.001
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0035 0.0068 0.0118
Echinococcus granulosus lamin dm0 0.0031 0.0056 0.005
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.3242 1 1
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0034 0.0065 0.5824
Plasmodium vivax 6-phosphofructokinase, putative 0.0034 0.0065 0.4888
Trypanosoma brucei adenosine transporter 2, putative 0.0308 0.0914 0.0914
Schistosoma mansoni lozenge 0.0065 0.0159 0.0146
Echinococcus multilocularis muscleblind protein 1 0.0174 0.0498 0.0493
Echinococcus multilocularis 6 phosphofructokinase 0.0127 0.0351 0.0346
Loa Loa (eye worm) hypothetical protein 0.0276 0.0813 0.1483
Toxoplasma gondii hypothetical protein 0.0031 0.0056 0.0106
Entamoeba histolytica phosphofructokinase, putative 0.0127 0.0351 0.0351
Echinococcus granulosus zinc finger protein 0.0027 0.0042 0.0037
Trypanosoma brucei purine nucleoside transporter 0.0308 0.0914 0.0914
Schistosoma mansoni intermediate filament proteins 0.0031 0.0056 0.0042
Chlamydia trachomatis pyruvate kinase 0.0039 0.0079 1
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0127 0.0351 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0043 0.0092 0.0163
Echinococcus multilocularis pyruvate kinase 0.002 0.0021 0.0015
Loa Loa (eye worm) hypothetical protein 0.0022 0.0028 0.0045
Giardia lamblia Tenascin precursor 0.0031 0.0056 0.0036
Plasmodium falciparum pyruvate kinase 0.0039 0.0079 0.7542
Echinococcus multilocularis pyruvate kinase 0.002 0.0021 0.0015
Entamoeba histolytica Flap nuclease, putative 0.003 0.0053 0.0053
Trichomonas vaginalis phosphofructokinase, putative 0.0127 0.0351 0.0351
Echinococcus multilocularis beta adrenergic receptor kinase 0.0035 0.0068 0.0062
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.1412 0.4333 0.4333
Trypanosoma cruzi cytochrome P450, putative 0.0014 0.0003 0.0003
Echinococcus granulosus beta-adrenergic receptor kinase 0.0035 0.0068 0.0062
Schistosoma mansoni serine/threonine protein kinase 0.0035 0.0068 0.0054
Schistosoma mansoni serine/threonine protein kinase 0.1412 0.4333 0.4325
Leishmania major nucleoside transporter 1, putative 0.0308 0.0914 0.0914
Echinococcus granulosus histone acetyltransferase KAT2B 0.0164 0.0468 0.0462
Brugia malayi 6-phosphofructokinase 0.0127 0.0351 0.0638
Echinococcus multilocularis adam 0.0031 0.0056 0.005
Echinococcus multilocularis lamin dm0 0.0031 0.0056 0.005
Echinococcus multilocularis expressed conserved protein 0.0018 0.0016 0.001
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0124 0.011
Brugia malayi Bloom's syndrome protein homolog 0.0025 0.0036 0.006
Leishmania major protein kinase, putative 0.0018 0.0016 0.0016
Giardia lamblia Histone acetyltransferase GCN5 0.0046 0.01 0.0079
Loa Loa (eye worm) hypothetical protein 0.0111 0.0303 0.055
Loa Loa (eye worm) hypothetical protein 0.0174 0.0498 0.0907
Brugia malayi Bromodomain containing protein 0.0092 0.0242 0.0438
Echinococcus multilocularis mitogen activated protein kinase 3 0.1412 0.4333 0.433
Echinococcus granulosus pyruvate kinase 0.002 0.0021 0.0015
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.1412 0.4333 0.4333
Trichomonas vaginalis regulator of G protein signaling 5, rgs5, putative 0.0022 0.0028 0.0028
Echinococcus granulosus integrin alpha 3 0.0365 0.109 0.1085
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.004 0.0083 0.0083
Loa Loa (eye worm) PHD-finger family protein 0.0024 0.0033 0.0055
Echinococcus multilocularis axis inhibition protein axin 0.0022 0.0028 0.0022
Loa Loa (eye worm) hypothetical protein 0.0102 0.0276 0.05
Leishmania major inosine-guanosine transporter;with=GeneDB:LinJ36_V3.2040 0.0308 0.0914 0.0914
Echinococcus granulosus 6 phosphofructokinase 0.0127 0.0351 0.0346
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0127 0.0351 1
Giardia lamblia Neurogenic locus Notch protein precursor 0.0031 0.0056 0.0036
Loa Loa (eye worm) hypothetical protein 0.0022 0.0028 0.0045
Loa Loa (eye worm) hypothetical protein 0.0054 0.0126 0.0224
Leishmania major protein kinase, putative 0.0018 0.0016 0.0016
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.004 0.0083 0.0083
Loa Loa (eye worm) hypothetical protein 0.0374 0.1117 0.2041
Echinococcus granulosus neuropeptide receptor 0.0134 0.0373 0.0368
Trypanosoma cruzi ISWI complex protein 0.0018 0.0014 0.0014
Schistosoma mansoni blooms syndrome DNA helicase 0.002 0.002 0.0006
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.3242 1 1
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0127 0.0351 1
Echinococcus granulosus axis inhibition protein axin 0.0022 0.0028 0.0022
Giardia lamblia Pyruvate kinase 0.0039 0.0079 0.0059
Loa Loa (eye worm) integrin beta-2 0.0976 0.2981 0.5456
Trypanosoma brucei nucleobase/nucleoside transporter 8.1 0.0308 0.0914 0.0914
Schistosoma mansoni flap endonuclease-1 0.0027 0.0044 0.003
Trypanosoma brucei ISWI complex protein 0.0018 0.0014 0.0014
Schistosoma mansoni serine/threonine protein kinase 0.0035 0.0068 0.0054
Echinococcus multilocularis regulator of G protein signaling 0.0022 0.0028 0.0022
Schistosoma mansoni hypothetical protein 0.0024 0.0033 0.0019
Schistosoma mansoni hypothetical protein 0.3242 1 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0056 0.0097
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0026 0.004 0.0026
Brugia malayi Integrin beta pat-3 precursor 0.0976 0.2981 0.5456
Echinococcus granulosus adam 0.0031 0.0056 0.005
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.1412 0.4333 1
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0022 0.0028 0.0045
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0034 0.0065 0.5824
Schistosoma mansoni integrin alpha-ps 0.0214 0.062 0.0607
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0034 0.0065 0.0065
Giardia lamblia Tenascin-37 0.0031 0.0056 0.0036
Trichomonas vaginalis equilibrative nucleoside transporter, putative 0.1776 0.5461 0.5461
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0035 0.0068 0.0118
Trichomonas vaginalis CMGC family protein kinase 0.1412 0.4333 0.4333
Echinococcus granulosus pyruvate kinase 0.0039 0.0079 0.0074
Brugia malayi EGF-like domain containing protein 0.0031 0.0056 0.0097
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0042 0.0089 0.0083
Onchocerca volvulus Pyruvate kinase homolog 0.0039 0.0079 0.0043
Brugia malayi regulator of G-protein signaling rgs-7 0.0022 0.0028 0.0045
Trichomonas vaginalis equilibrative nucleoside transporter, putative 0.0308 0.0914 0.0914
Trichomonas vaginalis CMGC family protein kinase 0.1412 0.4333 0.4333
Schistosoma mansoni 6-phosphofructokinase 0.0127 0.0351 0.0338
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0124 0.0118
Loa Loa (eye worm) hypothetical protein 0.0031 0.0056 0.0097
Trichomonas vaginalis equilibrative nucleoside transporter, putative 0.0308 0.0914 0.0914
Echinococcus multilocularis lamin 0.0031 0.0056 0.005
Entamoeba histolytica nucleoside transporter, putative 0.0308 0.0914 0.0914
Echinococcus multilocularis methyl CpG binding domain protein 2 0.002 0.002 0.0015
Brugia malayi hypothetical protein 0.0148 0.0418 0.076
Trypanosoma cruzi nucleobase transporter, putative 0.0308 0.0914 0.0914
Trypanosoma brucei nucleobase/nucleoside transporter 8.1, putative 0.0308 0.0914 0.0914
Loa Loa (eye worm) hypothetical protein 0.0022 0.0028 0.0045
Loa Loa (eye worm) hypothetical protein 0.0263 0.0773 0.141
Echinococcus granulosus A kinase anchor protein 10 mitochondrial 0.0022 0.0028 0.0022
Brugia malayi acetyltransferase, GNAT family protein 0.0172 0.0491 0.0893
Loa Loa (eye worm) hypothetical protein 0.0015 0.0006 0.0005
Loa Loa (eye worm) hypothetical protein 0.0148 0.0418 0.076
Echinococcus granulosus methyl CpG binding domain protein 2 0.002 0.002 0.0015
Onchocerca volvulus Pyruvate kinase homolog 0.0039 0.0079 0.0043
Loa Loa (eye worm) hypothetical protein 0.0031 0.0054 0.0094
Loa Loa (eye worm) pyruvate kinase 0.0039 0.0079 0.0139
Trypanosoma cruzi nucleobase transporter, putative 0.0308 0.0914 0.0914
Loa Loa (eye worm) hypothetical protein 0.0039 0.0079 0.0139
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.002 0.002 0.0006
Echinococcus granulosus lamin 0.0031 0.0056 0.005
Trichomonas vaginalis phosphofructokinase, putative 0.0034 0.0065 0.0065
Loa Loa (eye worm) hypothetical protein 0.002 0.002 0.0031
Echinococcus granulosus survival motor neuron protein 1 0.0276 0.0813 0.0807
Trichomonas vaginalis conserved hypothetical protein 0.0022 0.0028 0.0028
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0053 0.0124 0.0221
Leishmania major hypothetical protein, conserved 0.0018 0.0014 0.0014
Schistosoma mansoni hypothetical protein 0.0056 0.0133 0.0119
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0172 0.0491 0.0477
Trypanosoma cruzi nucleoside transporter 1, putative 0.0308 0.0914 0.0914
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.1412 0.4333 0.4333
Leishmania major pyruvate kinase 0.0039 0.0079 0.0079
Echinococcus granulosus integrin beta 2 0.0723 0.2198 0.2193
Brugia malayi intermediate filament protein 0.0031 0.0056 0.0097
Trypanosoma brucei protein kinase, putative 0.1412 0.4333 0.4333
Echinococcus multilocularis musashi 0.0031 0.0056 0.005
Trypanosoma brucei nucleobase/nucleoside transporter 8.1, putative 0.0308 0.0914 0.0914
Trichomonas vaginalis phosphofructokinase, putative 0.0127 0.0351 0.0351
Schistosoma mansoni serine/threonine protein kinase 0.0018 0.0016 0.0002
Toxoplasma gondii nucleoside transporter protein 0.0308 0.0914 0.2091
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.1412 0.4333 0.4333
Schistosoma mansoni serine/threonine protein kinase 0.0035 0.0068 0.0054
Echinococcus multilocularis pyruvate kinase 0.0039 0.0079 0.0074
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0056 0.0133 0.0238
Toxoplasma gondii 6-phosphofructokinase 0.0034 0.0065 0.0126
Brugia malayi PXA domain containing protein 0.0022 0.0028 0.0045
Trichomonas vaginalis phosphofructokinase, putative 0.0127 0.0351 0.0351
Schistosoma mansoni integrin alpha-ps 0.0111 0.0303 0.029
Schistosoma mansoni neuropeptide receptor 0.0134 0.0373 0.036
Trichomonas vaginalis phosphofructokinase, putative 0.0034 0.0065 0.0065
Loa Loa (eye worm) DEAH box polypeptide 35 0.0036 0.007 0.0122
Echinococcus granulosus regulator of G protein signaling 3 0.0022 0.0028 0.0022
Giardia lamblia Tenascin-X 0.0031 0.0056 0.0036
Echinococcus granulosus muscleblind protein 0.0174 0.0498 0.0493
Leishmania major nucleobase transporter 0.0308 0.0914 0.0914
Loa Loa (eye worm) runx1 0.0065 0.0159 0.0286
Echinococcus multilocularis regulator of G protein signaling 7 0.0022 0.0028 0.0022
Loa Loa (eye worm) hypothetical protein 0.0045 0.0097 0.0172
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0074 0.0187 0.0182
Echinococcus granulosus cGMP dependent protein kinase 1 0.0018 0.0016 0.001
Loa Loa (eye worm) RGS-3 protein 0.0022 0.0028 0.0045
Echinococcus multilocularis regulator of G protein signaling 7 0.0022 0.0028 0.0022
Onchocerca volvulus Pyruvate kinase homolog 0.0039 0.0079 0.0043
Loa Loa (eye worm) hypothetical protein 0.0022 0.0028 0.0045
Schistosoma mansoni 6-phosphofructokinase 0.0127 0.0351 0.0338
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0043 0.0092 0.0086
Loa Loa (eye worm) hypothetical protein 0.0516 0.1558 0.2849
Trypanosoma brucei adenosine transporter 2, putative 0.0308 0.0914 0.0914
Schistosoma mansoni regulator of G protein signaling 0.0022 0.0028 0.0014
Echinococcus multilocularis integrin beta 2 0.0723 0.2198 0.2193
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0053 0.0124 0.0221
Trichomonas vaginalis DNA helicase recq, putative 0.0025 0.0036 0.0036
Entamoeba histolytica hypothetical protein 0.0022 0.0028 0.0028
Echinococcus granulosus regulator of G protein signaling 7 0.0022 0.0028 0.0022
Schistosoma mansoni integrin alpha 0.0476 0.1434 0.1422
Echinococcus multilocularis integrin alpha ps 0.0214 0.062 0.0615
Echinococcus granulosus equilibrative nucleoside transporter 3 0.1776 0.5461 0.5458
Trypanosoma brucei adenosine transporter 2 0.0308 0.0914 0.0914
Brugia malayi EGF-like domain containing protein 0.0031 0.0056 0.0097
Entamoeba histolytica nucleoside transporter, putative 0.1776 0.5461 0.5461
Loa Loa (eye worm) hypothetical protein 0.0031 0.0056 0.0097
Loa Loa (eye worm) pyruvate kinase-PB 0.0027 0.0043 0.0073
Brugia malayi Muscleblind-like protein 0.0174 0.0498 0.0907
Schistosoma mansoni regulator of G protein signaling 0.0022 0.0028 0.0014
Echinococcus granulosus integrin alpha ps 0.0214 0.062 0.0615
Echinococcus granulosus fibrillin 2 0.0031 0.0056 0.005
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.1412 0.4333 0.4333
Entamoeba histolytica phosphofructokinase, putative 0.0127 0.0351 0.0351
Echinococcus granulosus regulator of G protein signaling 3 0.0022 0.0028 0.0022
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0127 0.0351 0.0351
Schistosoma mansoni axis inhibition protein axin 0.0022 0.0028 0.0014
Brugia malayi Regulator of G protein signaling domain containing protein 0.0022 0.0028 0.0045
Schistosoma mansoni regulator of G protein signaling 0.0022 0.0028 0.0014
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0052 0.0121 0.0257
Brugia malayi hypothetical protein 0.0516 0.1558 0.2849
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0052 0.0121 0.0121
Plasmodium falciparum flap endonuclease 1 0.003 0.0053 0.4393
Trichomonas vaginalis phosphofructokinase, putative 0.0127 0.0351 0.0351
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.1412 0.4333 0.7933
Echinococcus granulosus mitogen activated protein kinase 0.1412 0.4333 0.433
Trypanosoma brucei adenosine transporter 2, putative 0.0308 0.0914 0.0914
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0124 0.0118
Echinococcus multilocularis Regulator of G protein signaling 20 0.0022 0.0028 0.0022
Loa Loa (eye worm) hypothetical protein 0.036 0.1075 0.1964
Echinococcus multilocularis pyruvate kinase 0.0039 0.0079 0.0074
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0035 0.0068 0.0118
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0124 0.0118
Echinococcus multilocularis muscleblind protein 0.0174 0.0498 0.0493
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0124 0.011
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.3242 1 1
Echinococcus granulosus pyruvate kinase 0.002 0.0021 0.0015
Trypanosoma brucei nucleobase/nucleoside transporter 8.1 0.0308 0.0914 0.0914
Trichomonas vaginalis conserved hypothetical protein 0.0022 0.0028 0.0028
Schistosoma mansoni regulator of G protein signaling 0.0022 0.0028 0.0014
Brugia malayi Pyruvate kinase, muscle isozyme 0.0039 0.0079 0.0139
Onchocerca volvulus Equilibrative nucleoside transporter, putative homolog 0.1776 0.5461 1
Trichomonas vaginalis CMGC family protein kinase 0.1412 0.4333 0.4333
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0124 0.0118
Echinococcus granulosus fibrillin 1 0.0031 0.0056 0.005
Toxoplasma gondii pyruvate kinase PyKII 0.002 0.0021 0.0024
Loa Loa (eye worm) hypothetical protein 0.0015 0.0004 0.0001
Brugia malayi Flap endonuclease-1 0.003 0.0053 0.0091
Trypanosoma brucei adenosine transporter 2 0.0308 0.0914 0.0914
Giardia lamblia Flap structure-specific endonuclease 0.003 0.0053 0.0032
Brugia malayi Probable ATP-dependent helicase DHX35 0.0036 0.007 0.0122
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0034 0.0065 0.0126
Trypanosoma cruzi ISWI complex protein 0.0018 0.0014 0.0014
Loa Loa (eye worm) hypothetical protein 0.1776 0.5461 1
Entamoeba histolytica pyruvate kinase, putative 0.0027 0.0043 0.0043
Brugia malayi hypothetical protein 0.0022 0.0028 0.0045
Brugia malayi PXA domain containing protein 0.0022 0.0028 0.0045
Plasmodium vivax flap endonuclease 1, putative 0.003 0.0053 0.38
Loa Loa (eye worm) hypothetical protein 0.0516 0.1558 0.2849
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.1412 0.4333 0.4333
Trypanosoma brucei purine nucleoside transporter 0.0308 0.0914 0.0914
Brugia malayi hypothetical protein 0.1776 0.5461 1
Trichomonas vaginalis phosphofructokinase, putative 0.0034 0.0065 0.0065
Loa Loa (eye worm) 6-phosphofructokinase 0.0127 0.0351 0.0638
Schistosoma mansoni bromodomain containing protein 0.0078 0.02 0.0186
Brugia malayi Pyruvate kinase, M2 isozyme 0.0039 0.0079 0.0139
Trichomonas vaginalis equilibrative nucleoside transporter, putative 0.0308 0.0914 0.0914
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0031 0.0056 0.0097
Echinococcus granulosus intermediate filament protein 0.0031 0.0056 0.005
Mycobacterium ulcerans pyruvate kinase 0.0039 0.0079 0.2185
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.3242 1 1
Onchocerca volvulus Equilibrative nucleoside transporter, putative homolog 0.1776 0.5461 1
Brugia malayi Egg laying defective protein 4 0.0018 0.0016 0.0023
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0052 0.0121 1
Trypanosoma brucei adenosine transporter, putative 0.0308 0.0914 0.0914
Echinococcus multilocularis cGMP dependent protein kinase 1 0.0018 0.0016 0.001
Brugia malayi 6-phosphofructokinase 0.0127 0.0351 0.0638
Loa Loa (eye worm) hypothetical protein 0.1776 0.5461 1
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0022 0.0028 0.0014
Echinococcus granulosus fetal alzheimer antigen falz 0.0026 0.004 0.0034
Schistosoma mansoni zinc finger protein 0.0027 0.0042 0.0028
Echinococcus multilocularis axis inhibition protein axin 0.0022 0.0028 0.0022
Trichomonas vaginalis pyruvate kinase, putative 0.0039 0.0079 0.0079
Trichomonas vaginalis hypothetical protein 0.0031 0.0056 0.0056
Trypanosoma brucei STE group serine/threonine-protein kinase, putative 0.0017 0.0011 0.0011
Echinococcus multilocularis fibrillin 1 0.0031 0.0056 0.005
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.1412 0.4333 0.4333
Schistosoma mansoni serine/threonine protein kinase 0.0018 0.0016 0.0002
Loa Loa (eye worm) flap endonuclease-1 0.003 0.0053 0.0091
Loa Loa (eye worm) hypothetical protein 0.0031 0.0056 0.0097
Echinococcus granulosus calcium activated potassium channel 0.0016 0.0007 0.0001
Echinococcus granulosus histone lysine methyltransferase setb 0.002 0.002 0.0015
Echinococcus granulosus flap endonuclease 1 0.003 0.0053 0.0047
Entamoeba histolytica hypothetical protein, conserved 0.3242 1 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0004 0.0001
Loa Loa (eye worm) hypothetical protein 0.0027 0.0043 0.0073
Giardia lamblia Kinase, CMGC MAPK 0.1412 0.4333 0.4321
Echinococcus multilocularis G protein coupled receptor 139 0.0134 0.0373 0.0368
Echinococcus granulosus histone acetyltransferase KAT2B 0.0052 0.0121 0.0116
Plasmodium vivax 6-phosphofructokinase, putative 0.0034 0.0065 0.4888
Echinococcus granulosus pyruvate kinase 0.0039 0.0079 0.0074
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0043 0.0092 0.0163
Echinococcus granulosus axis inhibition protein axin 0.0022 0.0028 0.0022
Echinococcus multilocularis equilibrative nucleoside transporter 3 0.1468 0.4506 0.4502
Loa Loa (eye worm) integrin alpha pat-2 0.0734 0.2233 0.4086
Echinococcus multilocularis pyruvate kinase 0.0031 0.0054 0.0048
Trichomonas vaginalis conserved hypothetical protein 0.3242 1 1
Toxoplasma gondii nucleoside transporter protein 0.0308 0.0914 0.2091
Brugia malayi Nucleoside transporter family protein 0.1776 0.5461 1
Loa Loa (eye worm) pyruvate kinase 0.0039 0.0079 0.0139
Schistosoma mansoni methyl-cpg binding protein mbd 0.002 0.002 0.0006
Loa Loa (eye worm) 6-phosphofructokinase 0.0127 0.0351 0.0638
Brugia malayi hypothetical protein 0.0308 0.0914 0.1669
Schistosoma mansoni protein kinase 0.0321 0.0954 0.0941
Toxoplasma gondii nucleoside transporter protein 0.0308 0.0914 0.2091
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.3242 1 1
Plasmodium vivax pyruvate kinase 2, putative 0.002 0.0021 0.0881
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0026 0.004 0.0034
Trypanosoma brucei nucleobase/nucleoside transporter 8.1, putative 0.0308 0.0914 0.0914
Echinococcus multilocularis zinc finger protein 0.0027 0.0042 0.0037
Trypanosoma brucei adenosine transporter, putative 0.0308 0.0914 0.0914
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0022 0.0027 0.1254
Leishmania major nucleobase transporter 0.0308 0.0914 0.0914
Schistosoma mansoni lamin 0.0031 0.0056 0.0042
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0127 0.0351 0.0351
Echinococcus multilocularis neuropeptide receptor 0.0134 0.0373 0.0368
Echinococcus multilocularis fibrillin 2 0.0031 0.0056 0.005
Echinococcus multilocularis A kinase anchor protein 10, mitochondrial 0.0022 0.0028 0.0022
Toxoplasma gondii phosphofructokinase PFKII 0.0034 0.0065 0.0126
Leishmania major nucleoside transporter 1, putative 0.0308 0.0914 0.0914
Loa Loa (eye worm) phosphofructokinase 0.0127 0.0351 0.0638
Trypanosoma brucei pyruvate kinase 1 0.0039 0.0079 0.0079
Trypanosoma brucei cytochrome P450, putative 0.0014 0.0003 0.0003
Trypanosoma brucei nucleobase/nucleoside transporter 8.1, putative 0.0308 0.0914 0.0914
Entamoeba histolytica nucleoside transporter, putative 0.0308 0.0914 0.0914
Giardia lamblia High cysteine protein 0.0031 0.0056 0.0036
Echinococcus multilocularis integrin alpha ps 0.0214 0.062 0.0615
Entamoeba histolytica hypothetical protein 0.0022 0.0028 0.0028
Schistosoma mansoni survival motor neuron protein 0.0056 0.0133 0.0119
Giardia lamblia Hypothetical protein 0.1776 0.5461 0.5452
Trichomonas vaginalis conserved hypothetical protein 0.0022 0.0028 0.0028
Brugia malayi Kelch motif family protein 0.0148 0.0418 0.076
Schistosoma mansoni pyruvate kinase 0.002 0.0021 0.0007
Loa Loa (eye worm) hypothetical protein 0.0031 0.0056 0.0097
Trypanosoma cruzi cytochrome P450, putative 0.0014 0.0003 0.0003
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.3242 1 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.002 0.002 0.0015
Loa Loa (eye worm) hypothetical protein 0.0037 0.0074 0.013
Brugia malayi Integrin alpha pat-2 precursor 0.0476 0.1434 0.2622
Entamoeba histolytica hypothetical protein 0.0022 0.0028 0.0028
Echinococcus granulosus equilibrative nucleoside transporter 0.1776 0.5461 0.5458
Giardia lamblia hypothetical protein 0.0031 0.0056 0.0036
Loa Loa (eye worm) hypothetical protein 0.0036 0.007 0.0122
Loa Loa (eye worm) hypothetical protein 0.0174 0.0498 0.0907
Trypanosoma cruzi pyruvate kinase 2, putative 0.0039 0.0079 0.0079
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0172 0.0491 0.0485
Echinococcus multilocularis flap endonuclease 1 0.003 0.0053 0.0047
Schistosoma mansoni voltage-gated potassium channel 0.0047 0.0104 0.009
Echinococcus multilocularis regulator of G protein signaling 3 0.0022 0.0028 0.0022
Echinococcus granulosus pyruvate kinase 0.002 0.0021 0.0015
Onchocerca volvulus 0.0516 0.1558 0.2779
Loa Loa (eye worm) hypothetical protein 0.002 0.002 0.0031
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0022 0.0028 0.0014
Brugia malayi Bromodomain containing protein 0.0049 0.011 0.0196
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.003 0.0053 0.0098
Loa Loa (eye worm) hypothetical protein 0.0052 0.0119 0.0212
Trichomonas vaginalis teneurin and N-acetylglucosamine-1-phosphodiester alpha-N-acetylglucosaminidase, putative 0.0031 0.0056 0.0056
Plasmodium falciparum pyruvate kinase 2 0.002 0.0021 0.0555
Trichomonas vaginalis bromodomain-containing protein, putative 0.0052 0.0121 0.0121
Trichomonas vaginalis equilibrative nucleoside transporter, putative 0.1776 0.5461 0.5461
Trypanosoma brucei unspecified product 0.0308 0.0914 0.0914
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0011 0.0014
Trichomonas vaginalis equilibrative nucleoside transporter, putative 0.1776 0.5461 0.5461
Trypanosoma cruzi nucleoside transporter-like, putative 0.0308 0.0914 0.0914
Brugia malayi Regulator of G protein signaling domain containing protein 0.0022 0.0028 0.0045
Brugia malayi Integrin alpha cytoplasmic region family protein 0.036 0.1075 0.1964
Brugia malayi regulator of G-protein signaling egl-10 0.0022 0.0028 0.0045
Leishmania major flap endonuclease-1 (FEN-1), putative 0.003 0.0053 0.0053
Brugia malayi EGF-like domain containing protein 0.0031 0.0056 0.0097
Echinococcus multilocularis equilibrative nucleoside transporter protein 0.1776 0.5461 0.5458
Trichomonas vaginalis phosphofructokinase, putative 0.0034 0.0065 0.0065
Echinococcus granulosus Regulator of G protein signaling 20 0.0022 0.0028 0.0022
Echinococcus multilocularis Protein lozenge 0.0065 0.0159 0.0154
Trichomonas vaginalis conserved hypothetical protein 0.0022 0.0028 0.0028
Brugia malayi phosphofructokinase 0.0127 0.0351 0.0638
Entamoeba histolytica acetyltransferase, GNAT family 0.0046 0.01 0.01
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0124 0.011
Trypanosoma brucei nucleoside transporter 1, putative 0.0308 0.0914 0.0914
Loa Loa (eye worm) PXA domain-containing protein 0.0022 0.0028 0.0045
Giardia lamblia Rrm3p helicase 0.3242 1 1
Trypanosoma cruzi nucleobase transporter, putative 0.0308 0.0914 0.0914
Trypanosoma brucei nucleoside transporter 1, putative 0.0308 0.0914 0.0914
Schistosoma mansoni equilibrative nucleoside transporter 0.0308 0.0914 0.0902
Echinococcus granulosus regulator of G protein signaling 7 0.0022 0.0028 0.0022
Loa Loa (eye worm) AGC/PKG protein kinase 0.0018 0.0016 0.0023
Loa Loa (eye worm) kelch domain-containing protein family protein 0.0148 0.0418 0.076
Giardia lamblia Tenascin-like 0.0031 0.0056 0.0036
Trypanosoma cruzi nucleoside transporter-like, putative 0.0308 0.0914 0.0914
Echinococcus granulosus cGMP dependent protein kinase 1 0.0018 0.0016 0.001
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0042 0.0089 0.0083
Leishmania major cytochrome p450-like protein 0.0014 0.0003 0.0003
Trypanosoma cruzi nucleoside transporter 1, putative 0.0308 0.0914 0.0914
Schistosoma mansoni voltage-gated potassium channel 0.0047 0.0104 0.009
Schistosoma mansoni axis inhibition protein axin 0.0022 0.0028 0.0014
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0074 0.0187 0.0182
Brugia malayi EGF-like domain containing protein 0.0031 0.0056 0.0097
Loa Loa (eye worm) intermediate filament protein 0.0031 0.0056 0.0097
Loa Loa (eye worm) hypothetical protein 0.0308 0.0914 0.1669
Giardia lamblia Neurogenic locus notch-like protein 0.0031 0.0056 0.0036
Trichomonas vaginalis DNA helicase recq1, putative 0.0025 0.0036 0.0036
Schistosoma mansoni methyl-cpg binding protein mbd 0.002 0.002 0.0006
Echinococcus multilocularis mitogen activated protein kinase 0.1412 0.4333 0.433
Echinococcus granulosus expressed protein 0.0435 0.1307 0.1302
Loa Loa (eye worm) hypothetical protein 0.0022 0.0028 0.0045
Brugia malayi hypothetical protein 0.0022 0.0028 0.0045
Echinococcus multilocularis survival motor neuron protein 1 0.0276 0.0813 0.0807
Echinococcus granulosus integrin alpha ps 0.0102 0.0276 0.027
Trichomonas vaginalis equilibrative nucleoside transporter, putative 0.1776 0.5461 0.5461
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0034 0.0065 0.0044
Trichomonas vaginalis flap endonuclease-1, putative 0.003 0.0053 0.0053
Brugia malayi hypothetical protein 0.0276 0.0813 0.1483
Trypanosoma brucei adenosine transporter 2, putative 0.0308 0.0914 0.0914
Echinococcus multilocularis equilibrative nucleoside transporter 3 0.1776 0.5461 0.5458
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0945 0.2887 0.2883
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0043 0.0092 0.0086
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.3242 1 1
Trichomonas vaginalis phosphofructokinase, putative 0.0034 0.0065 0.0065
Schistosoma mansoni regulator of G protein signaling 0.0022 0.0028 0.0014
Trypanosoma cruzi pyruvate kinase 2, putative 0.0039 0.0079 0.0079
Entamoeba histolytica DNA repair and recombination protein, putative 0.3242 1 1
Trypanosoma brucei nucleobase/nucleoside transporter 8.1, putative 0.0308 0.0914 0.0914
Trypanosoma brucei unspecified product 0.0308 0.0914 0.0914
Loa Loa (eye worm) acetyltransferase 0.0172 0.0491 0.0893
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0034 0.0065 0.0065
Leishmania major ATP-dependent phosphofructokinase 0.0127 0.0351 0.0351
Echinococcus multilocularis expressed protein 0.0435 0.1307 0.1302
Toxoplasma gondii pyruvate kinase PyK1 0.0039 0.0079 0.016
Loa Loa (eye worm) RecQ helicase 0.0025 0.0036 0.006
Brugia malayi Intermediate filament tail domain containing protein 0.0031 0.0056 0.0097
Trichomonas vaginalis pyruvate kinase, putative 0.0039 0.0079 0.0079
Echinococcus multilocularis integrin alpha ps 0.0102 0.0276 0.027
Echinococcus multilocularis bloom syndrome protein 0.0025 0.0036 0.003
Echinococcus granulosus mitogen activated protein kinase 3 0.1412 0.4333 0.433
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.003 0.0053 0.0053
Echinococcus multilocularis calcium activated potassium channel 0.0016 0.0007 0.0001
Schistosoma mansoni pyruvate kinase 0.0039 0.0079 0.0065
Entamoeba histolytica phosphofructokinase, putative 0.0127 0.0351 0.0351
Schistosoma mansoni hypothetical protein 0.0102 0.0276 0.0262
Schistosoma mansoni integrin beta subunit 0.0575 0.1739 0.1727
Onchocerca volvulus 0.0056 0.0133 0.0142
Giardia lamblia High cysteine protein 0.0031 0.0056 0.0036
Schistosoma mansoni regulator of G protein signaling 3 rgs3 0.0022 0.0028 0.0014
Leishmania major pyruvate kinase 0.0039 0.0079 0.0079
Echinococcus multilocularis regulator of G protein signaling 3 0.0022 0.0028 0.0022
Loa Loa (eye worm) bromodomain containing protein 0.0025 0.0035 0.0059
Plasmodium vivax pyruvate kinase, putative 0.0039 0.0079 0.6194
Trypanosoma brucei pyruvate kinase 1, putative 0.0039 0.0079 0.0079
Loa Loa (eye worm) hypothetical protein 0.1776 0.5461 1
Trichomonas vaginalis equilibrative nucleoside transporter, putative 0.0308 0.0914 0.0914
Brugia malayi PHD-finger family protein 0.0033 0.0062 0.0107
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0052 0.0121 0.0257
Echinococcus granulosus bloom syndrome protein 0.0025 0.0036 0.003

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) 0 % Compound was tested for antagonist activity expressed as percentage response at 10 microM, relative to maixmal orexin-A induced response against OX1 receptor; IA is Inactive ChEMBL. 11266181

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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