Detailed information for compound 405773

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1456.69 | Formula: C65H109N21O17
  • H donors: 20 H acceptors: 19 LogP: -2.12 Rotable bonds: 60
    Rule of 5 violations (Lipinski): 4
  • SMILES: CC[C@@H]([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)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)N)CC(C)C)Cc1nc[nH]c1)C)CC(=O)N)Cc1nc[nH]c1)C)C)C
  • InChi: 1S/C65H109N21O17/c1-15-34(10)52(64(102)84-44(19-33(8)9)63(101)86-53(38(14)87)65(103)80-42(54(68)92)17-31(4)5)85-51(91)27-72-56(94)36(12)77-57(95)37(13)78-60(98)46(21-40-24-70-29-75-40)83-62(100)47(22-48(67)88)79-50(90)26-71-55(93)35(11)76-49(89)25-73-59(97)45(20-39-23-69-28-74-39)82-61(99)43(18-32(6)7)81-58(96)41(66)16-30(2)3/h23-24,28-38,41-47,52-53,87H,15-22,25-27,66H2,1-14H3,(H2,67,88)(H2,68,92)(H,69,74)(H,70,75)(H,71,93)(H,72,94)(H,73,97)(H,76,89)(H,77,95)(H,78,98)(H,79,90)(H,80,103)(H,81,96)(H,82,99)(H,83,100)(H,84,102)(H,85,91)(H,86,101)/t34-,35-,36-,37-,38+,41-,42-,43-,44-,45-,46-,47-,52-,53-/m0/s1
  • InChiKey: NNVHPEYZHVLEFM-ZWGHFTKOSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens hypocretin (orexin) receptor 1 Starlite/ChEMBL References
Homo sapiens hypocretin (orexin) receptor 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus neuropeptide receptor Get druggable targets OG5_127863 All targets in OG5_127863
Echinococcus multilocularis neuropeptide receptor Get druggable targets OG5_127863 All targets in OG5_127863
Schistosoma mansoni neuropeptide receptor Get druggable targets OG5_127863 All targets in OG5_127863
Schistosoma japonicum ko:K04209 neuropeptide Y receptor, invertebrate, putative Get druggable targets OG5_127863 All targets in OG5_127863
Echinococcus multilocularis G protein coupled receptor 139 Get druggable targets OG5_127863 All targets in OG5_127863
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus sex peptide receptor hypocretin (orexin) receptor 1 425 aa 350 aa 23.4 %
Obtained from network model

Ranking Plot

Putative Targets List

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

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 16 % Percentage response for agonist like activity at 10 microM, relative to maximal orexin-A induced response in CHO cells was determined ChEMBL. 11266181
EC50 (functional) = 947 nM Agonist activity at human OX2 receptor overexpressed in CHO-RD-HGA16 cells assessed as calcium mobilization after 15 mins by fluorescence assay ChEMBL. 24707347
EC50 (functional) = 1380 nM Agonist activity at human OX1 receptor overexpressed in CHO-RD-HGA16 cells assessed as calcium mobilization after 15 mins by fluorescence assay ChEMBL. 24707347

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

2 literature references were collected for this gene.

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