Detailed information for compound 443931

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 586.761 | Formula: C29H54N4O8
  • H donors: 6 H acceptors: 5 LogP: 4.22 Rotable bonds: 26
    Rule of 5 violations (Lipinski): 3
  • SMILES: CCCCCCCCCCCCCCOCCCOC(=O)C1=C[C@H](NC(=N)N)[C@H]([C@@H](O1)[C@@H]([C@@H](CO)O)O)NC(=O)C
  • InChi: 1S/C29H54N4O8/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-39-17-15-18-40-28(38)24-19-22(33-29(30)31)25(32-21(2)35)27(41-24)26(37)23(36)20-34/h19,22-23,25-27,34,36-37H,3-18,20H2,1-2H3,(H,32,35)(H4,30,31,33)/t22-,23+,25+,26+,27+/m0/s1
  • InChiKey: VXQAABLKCHXKLQ-LIOLAYKBSA-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
Echinococcus granulosus geminin 0.0171 0.0945 0.094
Toxoplasma gondii hypothetical protein 0.0041 0.0093 0.0172
Onchocerca volvulus Cytochrome c oxidase subunit 2 homolog 0.0045 0.0119 0.0114
Onchocerca volvulus 0.0231 0.1336 0.1332
Trypanosoma cruzi inositol 1,4,5-trisphosphate receptor, putative 0.0167 0.0915 0.125
Entamoeba histolytica carbonic anhydrase, putative 0.1231 0.7914 1
Schistosoma mansoni inositol 145-trisphosphate receptor 0.0059 0.0212 0.0207
Loa Loa (eye worm) hypothetical protein 0.113 0.7248 0.7248
Onchocerca volvulus Peroxidase homolog 0.1548 1 1
Brugia malayi Animal haem peroxidase family protein 0.1548 1 1
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0041 0.0093 0.0172
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0041 0.0093 0.0088
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0041 0.0093 0.0088
Toxoplasma gondii transporter, cation channel family protein 0.0043 0.0106 0.0213
Echinococcus granulosus delta-like protein 1 0.0231 0.1336 0.1332
Echinococcus granulosus protein jagged 2 0.0231 0.1336 0.1332
Echinococcus multilocularis mitogen activated protein kinase 14 0.013 0.0677 0.0673
Schistosoma mansoni membrane associated proteins in eicosanoid and glutathione metabolism family member 0.0493 0.306 0.3057
Plasmodium falciparum transporter, putative 0.0041 0.0093 0.0172
Loa Loa (eye worm) hypothetical protein 0.1548 1 1
Onchocerca volvulus Chorion peroxidase homolog 0.1548 1 1
Loa Loa (eye worm) ryanodine receptor 0.0172 0.0954 0.0954
Trypanosoma cruzi Voltage-dependent calcium channel subunit, putative 0.0043 0.0106 0.0099
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.0982 0.6275 1
Schistosoma mansoni carbonic anhydrase 0.1231 0.7914 0.7913
Schistosoma mansoni lipoxygenase 0.0119 0.0603 0.0598
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.0342 0.2069 0.2069
Schistosoma mansoni carbonic anhydrase-related 0.0533 0.3323 0.332
Echinococcus granulosus protein jagged 2 0.0231 0.1336 0.1332
Loa Loa (eye worm) Notch2 0.0231 0.1336 0.1336
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0041 0.0093 0.0088
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0043 0.0106 0.0101
Echinococcus multilocularis neurogenic locus notch protein 4 0.0231 0.1336 0.1332
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 0.0043 0.0106 0.0101
Echinococcus multilocularis neurogenic locus protein delta 0.0231 0.1336 0.1332
Onchocerca volvulus 0.0231 0.1336 0.1332
Onchocerca volvulus Peroxidasin homolog 0.1548 1 1
Onchocerca volvulus 0.0041 0.0093 0.0088
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0041 0.0093 0.0088
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0043 0.0106 0.0101
Echinococcus granulosus protein jagged 1 0.0231 0.1336 0.1332
Schistosoma mansoni hypothetical protein 0.0127 0.0656 0.0651
Schistosoma mansoni serine/threonine protein kinase 0.0342 0.2069 0.2065
Loa Loa (eye worm) hypothetical protein 0.1548 1 1
Onchocerca volvulus 0.0244 0.1425 0.142
Toxoplasma gondii cytochrome C oxidase subunit IIb, putative 0.0045 0.0119 0.0252
Loa Loa (eye worm) hypothetical protein 0.0059 0.0212 0.0212
Loa Loa (eye worm) hypothetical protein 0.1548 1 1
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0127 0.0656 0.0651
Onchocerca volvulus 0.1548 1 1
Schistosoma mansoni notch 0.0231 0.1336 0.1332
Leishmania major hypothetical protein, conserved 0.0115 0.0575 0.0622
Mycobacterium leprae Probable transmembrane transport protein 0.0238 0.1386 0.1751
Brugia malayi Animal haem peroxidase family protein 0.1548 1 1
Loa Loa (eye worm) animal heme peroxidase 0.1548 1 1
Schistosoma mansoni peroxidasin 0.1548 1 1
Echinococcus multilocularis neurogenic locus notch protein 0.0231 0.1336 0.1332
Onchocerca volvulus 0.0041 0.0093 0.0088
Brugia malayi Cadherin domain containing protein 0.0231 0.1336 0.1332
Echinococcus multilocularis fat cadherin tumor suppressor 0.0231 0.1336 0.1332
Loa Loa (eye worm) hypothetical protein 0.0028 0.0005 0.0005
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0028 0.0005 0.0005
Schistosoma mansoni hypothetical protein 0.0171 0.0945 0.094
Loa Loa (eye worm) hypothetical protein 0.0028 0.0005 0.0005
Onchocerca volvulus 0.1548 1 1
Schistosoma mansoni voltage-gated cation channel 0.0043 0.0106 0.0101
Loa Loa (eye worm) hypothetical protein 0.0231 0.1336 0.1336
Trichomonas vaginalis conserved hypothetical protein 0.1429 0.9218 1
Trichomonas vaginalis conserved hypothetical protein 0.1429 0.9218 1
Loa Loa (eye worm) hypothetical protein 0.0231 0.1336 0.1336
Echinococcus multilocularis protein jagged 2 0.0231 0.1336 0.1332
Schistosoma mansoni septate junction protein 0.0231 0.1336 0.1332
Loa Loa (eye worm) hypothetical protein 0.1548 1 1
Schistosoma mansoni notch 0.0231 0.1336 0.1332
Onchocerca volvulus 0.0068 0.027 0.0265
Loa Loa (eye worm) hypothetical protein 0.0028 0.0005 0.0005
Loa Loa (eye worm) hypothetical protein 0.0231 0.1336 0.1336
Echinococcus granulosus dynactin 5 p25 0.0071 0.0287 0.0282
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0028 0.0005 0.0005
Echinococcus multilocularis carbonic anhydrase 0.0533 0.3323 0.332
Onchocerca volvulus Cytochrome c oxidase subunit 2 homolog 0.0045 0.0119 0.0114
Loa Loa (eye worm) hypothetical protein 0.0231 0.1336 0.1336
Loa Loa (eye worm) hypothetical protein 0.0231 0.1336 0.1336
Leishmania major mitogen-activated protein kinase 3, putative,map kinase 3, putative 0.013 0.0677 0.0753
Loa Loa (eye worm) hypothetical protein 0.0085 0.0382 0.0382
Loa Loa (eye worm) hypothetical protein 0.0231 0.1336 0.1336
Schistosoma mansoni inositol 145-trisphosphate receptor 0.0137 0.0722 0.0717
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0041 0.0093 0.0088
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0041 0.0093 0.0088
Onchocerca volvulus Dual oxidase homolog 0.1548 1 1
Loa Loa (eye worm) hypothetical protein 0.0231 0.1336 0.1336
Loa Loa (eye worm) hypothetical protein 0.0041 0.0093 0.0093
Trypanosoma brucei inositol 1,4,5-trisphosphate receptor 0.0167 0.0915 0.125
Brugia malayi EGF-like domain containing protein 0.0231 0.1336 0.1332
Loa Loa (eye worm) hypothetical protein 0.1548 1 1
Schistosoma mansoni peroxidasin 0.1548 1 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0243 0.142 0.142
Echinococcus multilocularis voltage dependent calcium channel 0.0043 0.0106 0.0101
Brugia malayi Cytochrome P450 family protein 0.0077 0.0328 0.0323
Schistosoma mansoni thyroid hormone receptor 0.0155 0.084 0.0836
Entamoeba histolytica protein kinase, putative 0.0342 0.2069 0.2597
Echinococcus multilocularis stromal cell derived factor 2 0.003 0.0018 0.0013
Schistosoma mansoni notch 0.0231 0.1336 0.1332
Wolbachia endosymbiont of Brugia malayi cytochrome c oxidase, subunit 2 0.015 0.0809 1
Echinococcus granulosus notch 0.0231 0.1336 0.1332
Mycobacterium ulcerans transmembrane cytochrome C oxidase (subunit II) CtaC 0.0045 0.0119 0.009
Loa Loa (eye worm) hypothetical protein 0.0028 0.0005 0.0005
Loa Loa (eye worm) hypothetical protein 0.0231 0.1336 0.1336
Brugia malayi Ryanodine Receptor TM 4-6 family protein 0.0453 0.28 0.2796
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0533 0.3323 0.332
Plasmodium vivax conserved Plasmodium protein, unknown function 0.0105 0.051 1
Echinococcus multilocularis fibropellin Ia 0.0231 0.1336 0.1332
Echinococcus granulosus ryanodine receptor 44f 0.0368 0.2239 0.2235
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0043 0.0106 0.0101
Toxoplasma gondii hypothetical protein 0.0036 0.0056 0.0058
Loa Loa (eye worm) solute carrier family 6 member 4 0.0244 0.1425 0.1425
Echinococcus multilocularis ryanodine receptor 44f 0.0368 0.2239 0.2235
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.0686 0.4329 0.6855
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0041 0.0093 0.0088
Schistosoma mansoni hypothetical protein 0.0231 0.1336 0.1332
Brugia malayi phosphoinositide-dependent protein kinase I 0.0342 0.2069 0.2065
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0041 0.0093 0.0088
Echinococcus multilocularis sodium and chloride dependent glycine 0.0041 0.0093 0.0088
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0119 0.0603 0.0598
Brugia malayi MIR domain containing protein 0.003 0.0018 0.0013
Schistosoma mansoni hypothetical protein 0.0231 0.1336 0.1332
Loa Loa (eye worm) hypothetical protein 0.1548 1 1
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0041 0.0093 0.0088
Echinococcus multilocularis carbonic anhydrase II 0.1103 0.7069 0.7068
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0533 0.3323 0.332
Echinococcus multilocularis microsomal glutathione S transferase 3 0.0113 0.0563 0.0558
Toxoplasma gondii hypothetical protein 0.0041 0.0093 0.0172
Loa Loa (eye worm) hypothetical protein 0.0231 0.1336 0.1336
Brugia malayi Blistered cuticle protein 3 0.1548 1 1
Treponema pallidum sodium- and chloride- dependent transporter 0.0244 0.1425 0.5
Loa Loa (eye worm) serotonin transporter b 0.0244 0.1425 0.1425
Wolbachia endosymbiont of Brugia malayi N-acetylglucosamine-1-phosphate uridyltransferase 0.0071 0.0287 0.2761
Schistosoma mansoni thyroid hormone receptor 0.0155 0.084 0.0836
Onchocerca volvulus 0.0206 0.1176 0.1171
Echinococcus multilocularis mitogen activated protein kinase 11 0.013 0.0677 0.0673
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0533 0.3323 0.3323
Onchocerca volvulus Peroxidasin homolog 0.1548 1 1
Brugia malayi notch-like transmembrane receptor 0.0231 0.1336 0.1332
Loa Loa (eye worm) hypothetical protein 0.0231 0.1336 0.1336
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu 0.0043 0.0106 0.0101
Toxoplasma gondii EGF family domain-containing protein 0.0231 0.1336 0.3954
Onchocerca volvulus Peroxidase homolog 0.1548 1 1
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0533 0.3323 0.332
Schistosoma mansoni sodium/chloride dependent transporter 0.0041 0.0093 0.0088
Loa Loa (eye worm) hypothetical protein 0.0036 0.0056 0.0056
Loa Loa (eye worm) calcium channel 0.0043 0.0106 0.0106
Schistosoma mansoni carbonic anhydrase-related 0.0533 0.3323 0.332
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.013 0.0677 0.0911
Loa Loa (eye worm) hypothetical protein 0.0533 0.3323 0.3323
Echinococcus multilocularis notch 0.0231 0.1336 0.1332
Brugia malayi Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog 0.0043 0.0106 0.0101
Onchocerca volvulus 0.003 0.0018 0.0013
Echinococcus multilocularis mitogen activated protein kinase 14 0.013 0.0677 0.0673
Schistosoma mansoni high voltage-activated calcium channel Cav2A 0.0043 0.0106 0.0101
Schistosoma mansoni hypothetical protein 0.0231 0.1336 0.1332
Schistosoma mansoni sodium-dependent amino acid transporter 0.0041 0.0093 0.0088
Echinococcus multilocularis carbonic anhydrase 0.0533 0.3323 0.332
Loa Loa (eye worm) carbonic anhydrase 3 0.1103 0.7069 0.7069
Schistosoma mansoni sodium/chloride dependent transporter 0.0244 0.1425 0.142
Loa Loa (eye worm) hypothetical protein 0.0231 0.1336 0.1336
Brugia malayi hypothetical protein 0.0041 0.0093 0.0088
Echinococcus multilocularis thyroid hormone receptor alpha 0.0155 0.084 0.0836
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0041 0.0093 0.0088
Schistosoma mansoni Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)] 0.0231 0.1336 0.1332
Echinococcus multilocularis protein jagged 1 0.0231 0.1336 0.1332
Loa Loa (eye worm) hypothetical protein 0.1548 1 1
Schistosoma mansoni cell polarity protein 0.0231 0.1336 0.1332
Schistosoma mansoni microsomal glutathione s-transferase 0.0113 0.0563 0.0558
Onchocerca volvulus Cytochrome c oxidase subunit 2 homolog 0.0045 0.0119 0.0114
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0041 0.0093 0.0088
Loa Loa (eye worm) hypothetical protein 0.1548 1 1
Brugia malayi Animal haem peroxidase family protein 0.1548 1 1
Giardia lamblia High cysteine protein 0.0231 0.1336 0.5
Onchocerca volvulus 0.0045 0.0119 0.0114
Echinococcus granulosus cytochrome c oxidase subunit II 0.015 0.0809 0.0804
Brugia malayi GCC2 and GCC3 family protein 0.0231 0.1336 0.1332
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0088 0.0074
Onchocerca volvulus Slit protein homolog 0.0231 0.1336 0.1332
Schistosoma mansoni stromal cell-derived factor 2 precursor-like protein 0.003 0.0018 0.0013
Loa Loa (eye worm) animal heme peroxidase 0.1548 1 1
Loa Loa (eye worm) CMGC/MAPK/P38 protein kinase 0.013 0.0677 0.0677
Echinococcus granulosus slit 2 protein 0.0231 0.1336 0.1332
Mycobacterium ulcerans hypothetical protein 0.0041 0.0088 0.0056
Loa Loa (eye worm) hypothetical protein 0.0043 0.0106 0.0106
Loa Loa (eye worm) hypothetical protein 0.0231 0.1336 0.1336
Brugia malayi Muscle positioning protein 4 0.0231 0.1336 0.1332
Schistosoma mansoni high voltage-activated calcium channel Cav1 0.0043 0.0106 0.0101
Schistosoma mansoni hypothetical protein 0.0231 0.1336 0.1332
Loa Loa (eye worm) hypothetical protein 0.0231 0.1336 0.1336
Schistosoma mansoni ryanodine receptor related 0.0453 0.28 0.2796
Brugia malayi EGF-like domain containing protein 0.0231 0.1336 0.1332
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0043 0.0106 0.0101
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0041 0.0093 0.0093
Loa Loa (eye worm) hypothetical protein 0.1548 1 1
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0231 0.1336 0.1332
Mycobacterium ulcerans carbonic anhydrase 0.1429 0.9218 1
Echinococcus granulosus serotonin transporter 0.0244 0.1425 0.142
Schistosoma mansoni cytochrome-c oxidase 0.0045 0.0119 0.0114
Schistosoma mansoni hypothetical protein 0.0231 0.1336 0.1332
Loa Loa (eye worm) blistered cuticle protein 3 0.1548 1 1
Echinococcus multilocularis mitogen activated protein kinase 11 0.013 0.0677 0.0673
Onchocerca volvulus 0.0041 0.0093 0.0088
Schistosoma mansoni carbonic anhydrase-related 0.0533 0.3323 0.332
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0041 0.0093 0.0088
Schistosoma mansoni hypothetical protein 0.0533 0.3323 0.332
Echinococcus granulosus microsomal glutathione S transferase 3 0.0113 0.0563 0.0558
Entamoeba histolytica bacterial transferase hexapeptide family protein 0.0041 0.0088 0.0089
Toxoplasma gondii MAPEG family protein 0.0113 0.0563 0.1602
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0028 0.0005 0.0005
Echinococcus multilocularis carbonic anhydrase 0.0533 0.3323 0.332
Mycobacterium tuberculosis Probable epoxide hydrolase EphA (epoxide hydratase) (arene-oxide hydratase) 0.0165 0.0905 0.132
Echinococcus granulosus neurogenic locus notch protein 4 0.0231 0.1336 0.1332
Echinococcus granulosus carbonic anhydrase 0.0533 0.3323 0.332
Schistosoma mansoni cytochrome c oxidase subunit II 0.0123 0.0629 0.0625
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.0783 0.4971 0.7893
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0041 0.0093 0.0088
Plasmodium falciparum cytochrome c oxidase subunit 2, putative 0.0045 0.0119 0.0252
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0041 0.0093 0.0088
Echinococcus granulosus nuclear factor of activated T cells 5 0.0074 0.0309 0.0304
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.1231 0.7914 1
Entamoeba histolytica ankyrin, putative 0.0071 0.0288 0.0342
Loa Loa (eye worm) norepinephrine transporter 0.0244 0.1425 0.1425
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0041 0.0093 1
Loa Loa (eye worm) MIR domain-containing protein 0.003 0.0018 0.0018
Echinococcus granulosus neurogenic locus protein delta 0.0231 0.1336 0.1332
Schistosoma mansoni notch 0.0231 0.1337 0.1332
Schistosoma mansoni notch 0.0231 0.1336 0.1332
Loa Loa (eye worm) steroid hormone receptor 0.0028 0.0005 0.0005
Trypanosoma brucei mitogen-activated protein kinase 3, putative 0.013 0.0677 0.0911
Schistosoma mansoni sodium/chloride dependent transporter 0.0045 0.0117 0.0112
Loa Loa (eye worm) hypothetical protein 0.0028 0.0005 0.0005
Leishmania major carbonic anhydrase family protein, putative 0.1231 0.7914 1
Loa Loa (eye worm) hypothetical protein 0.0244 0.1425 0.1425
Brugia malayi Putative carbonic anhydrase 5 precursor 0.1103 0.7069 0.7068
Loa Loa (eye worm) hypothetical protein 0.0041 0.0093 0.0093
Onchocerca volvulus 0.0231 0.1336 0.1332
Loa Loa (eye worm) hypothetical protein 0.0231 0.1336 0.1336
Plasmodium vivax amine transporter, putative 0.0041 0.0093 0.1193
Onchocerca volvulus Neurogenic locus notch protein homolog 0.0231 0.1336 0.1332
Brugia malayi EGF-like domain containing protein 0.0231 0.1336 0.1332
Echinococcus multilocularis 3 phosphoinositide dependent protein kinase 1 0.0342 0.2069 0.2065
Schistosoma mansoni slit 0.0231 0.1336 0.1332
Echinococcus multilocularis neurogenic locus notch protein 0.0231 0.1336 0.1332
Brugia malayi Calcium binding EGF domain containing protein 0.0231 0.1336 0.1332
Loa Loa (eye worm) hypothetical protein 0.0028 0.0005 0.0005
Toxoplasma gondii hypothetical protein 0.0533 0.3323 1
Trichomonas vaginalis conserved hypothetical protein 0.0068 0.027 0.0273
Schistosoma mansoni ryanodine receptor 1 skeletal muscle 0.0052 0.0161 0.0156
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0074 0.0309 0.0304
Echinococcus multilocularis ryanodine receptor 44f 0.0283 0.1682 0.1678
Trichomonas vaginalis maltose O-acetyltransferase, putative 0.0068 0.027 0.0273
Mycobacterium tuberculosis Probable serine acetyltransferase CysE (sat) 0.0071 0.0287 0.0322
Onchocerca volvulus 0.0231 0.1336 0.1332
Loa Loa (eye worm) hypothetical protein 0.0041 0.0093 0.0093
Echinococcus multilocularis neurogenic locus protein delta 0.0231 0.1336 0.1332
Echinococcus granulosus mitogen activated protein kinase 14 0.013 0.0677 0.0673
Trypanosoma brucei Voltage-dependent calcium channel subunit, putative 0.0043 0.0106 0.0099
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.1103 0.7069 0.7068
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0127 0.0656 0.0651
Trypanosoma brucei carbonic anhydrase-like protein 0.1103 0.7069 1
Brugia malayi Animal haem peroxidase family protein 0.1548 1 1
Echinococcus granulosus 3-phosphoinositide-dependent protein kinase 1 0.0342 0.2069 0.2065
Schistosoma mansoni hypothetical protein 0.0171 0.0945 0.094
Onchocerca volvulus Putative cubilin 0.0231 0.1336 0.1332
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0119 0.0603 0.0598
Onchocerca volvulus 0.0231 0.1336 0.1332
Schistosoma mansoni notch 0.0231 0.1336 0.1332
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.1103 0.7069 1
Schistosoma mansoni hypothetical protein 0.0231 0.1336 0.1332
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.0238 0.1386 0.2097
Loa Loa (eye worm) hypothetical protein 0.0036 0.0056 0.0056
Onchocerca volvulus Putative sulfate transporter 0.0206 0.1176 0.1171
Mycobacterium leprae PROBABLE TRANSFERASE 0.0068 0.027 0.0341
Loa Loa (eye worm) hypothetical protein 0.0028 0.0005 0.0005
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0244 0.1425 0.142
Entamoeba histolytica acetyltransferase, putative 0.0071 0.0287 0.0341
Loa Loa (eye worm) hypothetical protein 0.0043 0.0106 0.0106
Brugia malayi cation channel family protein 0.0197 0.1113 0.1108
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.1103 0.7069 1
Schistosoma mansoni laminin gamma-3 chain 0.0231 0.1336 0.1332
Echinococcus multilocularis serotonin transporter 0.0244 0.1425 0.142
Loa Loa (eye worm) hypothetical protein 0.0231 0.1336 0.1336
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel 0.0043 0.0106 0.0101
Plasmodium falciparum amino acid transporter, putative 0.0041 0.0093 0.0172
Echinococcus multilocularis neural cadherin 0.0231 0.1336 0.1332
Loa Loa (eye worm) hypothetical protein 0.0283 0.1682 0.1682
Loa Loa (eye worm) hypothetical protein 0.0231 0.1336 0.1336
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0028 0.0005 0.0005
Trichomonas vaginalis AGC family protein kinase 0.0342 0.2069 0.2229
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.1103 0.7069 0.7068
Loa Loa (eye worm) hypothetical protein 0.0244 0.1425 0.1425
Trypanosoma brucei hypothetical protein, conserved 0.0041 0.0088 0.0074
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0041 0.0093 0.0093
Brugia malayi Cadherin domain containing protein 0.0231 0.1336 0.1332
Trichomonas vaginalis AGC family protein kinase 0.0342 0.2069 0.2229
Brugia malayi Protein kinase domain containing protein 0.0342 0.2069 0.2065
Echinococcus granulosus carbonic anhydrase 0.0533 0.3323 0.332
Echinococcus multilocularis peroxidasin 0.1548 1 1
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.0342 0.2069 0.2069
Loa Loa (eye worm) hypothetical protein 0.0028 0.0005 0.0005
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0041 0.0093 0.0088
Plasmodium falciparum carbonic anhydrase 0.0533 0.3323 1
Mycobacterium ulcerans carbonic anhydrase 0.1231 0.7914 0.858
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0533 0.3323 0.332
Mycobacterium tuberculosis Probable transmembrane cytochrome C oxidase (subunit II) CtaC 0.0045 0.0119 0.005
Loa Loa (eye worm) hypothetical protein 0.0231 0.1336 0.1336
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0533 0.3323 0.332
Brugia malayi Calcium binding EGF domain containing protein 0.0231 0.1336 0.1332
Loa Loa (eye worm) cytochrome P450 family protein 0.0077 0.0328 0.0328
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0028 0.0005 0.0005
Loa Loa (eye worm) hypothetical protein 0.0244 0.1425 0.1425
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0041 0.0093 0.0088
Echinococcus granulosus carbonic anhydrase 0.0533 0.3323 0.332
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0088 0.0074
Loa Loa (eye worm) hypothetical protein 0.0231 0.1336 0.1336
Loa Loa (eye worm) hypothetical protein 0.0041 0.0093 0.0093
Echinococcus granulosus mitogen activated protein kinase 11 0.013 0.0677 0.0673
Onchocerca volvulus Neurogenic locus notch homolog 0.0231 0.1337 0.1332
Echinococcus multilocularis voltage dependent calcium channel 0.0043 0.0106 0.0101
Loa Loa (eye worm) hypothetical protein 0.1548 1 1
Loa Loa (eye worm) hypothetical protein 0.0082 0.0358 0.0358
Onchocerca volvulus 0.1548 1 1
Loa Loa (eye worm) notch protein 0.0231 0.1336 0.1336
Trichomonas vaginalis AGC family protein kinase 0.0342 0.2069 0.2229
Echinococcus granulosus neural cadherin 0.0231 0.1336 0.1332
Onchocerca volvulus Cytochrome c oxidase subunit 2 homolog 0.0045 0.0119 0.0114
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0244 0.1425 0.142
Echinococcus granulosus stromal cell derived factor 2 0.003 0.0018 0.0013
Echinococcus granulosus carbonic anhydrase II 0.1103 0.7069 0.7068
Brugia malayi Delta serrate ligand family protein 0.0231 0.1336 0.1332
Leishmania major carbonic anhydrase-like protein 0.1103 0.7069 0.892
Loa Loa (eye worm) hypothetical protein 0.0231 0.1336 0.1336
Loa Loa (eye worm) hypothetical protein 0.0041 0.0093 0.0093
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0041 0.0093 0.0172
Brugia malayi EGF-like domain containing protein 0.0231 0.1336 0.1332
Loa Loa (eye worm) hypothetical protein 0.1548 1 1
Schistosoma mansoni carbonic anhydrase 0.0533 0.3323 0.332
Loa Loa (eye worm) hypothetical protein 0.0041 0.0093 0.0093
Loa Loa (eye worm) animal heme peroxidase 0.1548 1 1
Echinococcus granulosus voltage dependent calcium channel 0.0043 0.0106 0.0101
Echinococcus multilocularis slit 2 protein 0.0231 0.1336 0.1332
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0028 0.0005 0.0005
Mycobacterium ulcerans epoxide hydrolase EphA 0.0165 0.0905 0.0946
Echinococcus granulosus neurogenic locus notch protein 0.0231 0.1336 0.1332
Brugia malayi EGF-like domain containing protein 0.0231 0.1336 0.1332
Loa Loa (eye worm) hypothetical protein 0.0533 0.3323 0.3323
Loa Loa (eye worm) voltage-dependent calcium channel 0.0043 0.0106 0.0106
Schistosoma mansoni hypothetical protein 0.0111 0.0547 0.0543
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.1103 0.7069 0.7069
Schistosoma mansoni lipoxygenase 0.0083 0.0368 0.0363
Echinococcus granulosus sodium and chloride dependent glycine 0.0041 0.0093 0.0088
Echinococcus granulosus voltage dependent calcium channel 0.0043 0.0106 0.0101
Plasmodium vivax cytochrome c oxidase subunit 2, putative 0.0045 0.0119 0.175
Echinococcus multilocularis sodium and chloride dependent glycine 0.0041 0.0093 0.0088
Plasmodium vivax hypothetical protein, conserved 0.0041 0.0093 0.1193
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0028 0.0005 0.0005
Brugia malayi Animal haem peroxidase family protein 0.1548 1 1
Schistosoma mansoni hypothetical protein 0.0231 0.1336 0.1332
Brugia malayi P38 map kinase family protein 2 0.013 0.0677 0.0673
Loa Loa (eye worm) hypothetical protein 0.1548 1 1
Brugia malayi follicle stimulating hormone receptor 0.0243 0.142 0.1416
Echinococcus multilocularis protein jagged 1 0.0231 0.1336 0.1332
Loa Loa (eye worm) hypothetical protein 0.0231 0.1336 0.1336
Brugia malayi Peroxidasin 0.1548 1 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0093 0.0093
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.013 0.0677 0.0911
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0041 0.0093 0.0088
Echinococcus granulosus protein jagged 1 0.0231 0.1336 0.1332
Echinococcus multilocularis geminin 0.0171 0.0945 0.094
Echinococcus granulosus ryanodine receptor 44f 0.0283 0.1682 0.1678
Loa Loa (eye worm) hypothetical protein 0.1548 1 1
Loa Loa (eye worm) hypothetical protein 0.1548 1 1
Wolbachia endosymbiont of Brugia malayi 2,3,4,5-tetrahydropyridine-2,6-carboxylate N-succinyltransferase 0.0071 0.0287 0.2761
Brugia malayi EGF-like domain containing protein 0.0231 0.1336 0.1332
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.1103 0.7069 0.7068
Loa Loa (eye worm) animal heme peroxidase 0.1548 1 1
Echinococcus granulosus neurogenic locus notch protein 0.0231 0.1336 0.1332
Echinococcus granulosus fibropellin Ia 0.0231 0.1336 0.1332
Loa Loa (eye worm) hypothetical protein 0.0231 0.1336 0.1336
Loa Loa (eye worm) ryanodine receptor 0.0106 0.0516 0.0516
Echinococcus granulosus sodium and chloride dependent glycine 0.0041 0.0093 0.0088
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0041 0.0093 0.0088
Loa Loa (eye worm) hypothetical protein 0.0231 0.1336 0.1336
Echinococcus granulosus peroxidasin 0.1548 1 1
Brugia malayi EGF-like domain containing protein 0.0231 0.1336 0.1332
Mycobacterium ulcerans transferase 0.0068 0.027 0.0254
Brugia malayi Calcium binding EGF domain containing protein 0.0231 0.1336 0.1332
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0041 0.0093 0.0088
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0041 0.0093 0.0172

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.315 uM Antiviral activity against influenza A/Yuefang/243/72 (H3N2) virus in MDCK cells by CPE assay ChEMBL. 17611105
IC50 (functional) = 1.06 uM Antiviral activity against influenza A/Hanfang/359/95 (H3N2) virus in MDCK cells by CPE assay ChEMBL. 17611105
IC50 (functional) = 2.49 uM Antiviral activity against influenza A/Jifang/15/90 (H3N2) virus in MDCK cells by CPE assay ChEMBL. 17611105
IC50 (functional) = 18.9 uM Antiviral activity against influenza A/Jingfang/262/95(H1N1) virus in MDCK cells by CPE assay ChEMBL. 17611105
IC50 (functional) = 23.3 uM Antiviral activity against influenza B/Jingfang/76/98 in MDCK cells by CPE assay ChEMBL. 17611105
IC50 (functional) = 31.5 uM Antiviral activity against influenza B/Jifang/13/97 virus in MDCK cells by CPE assay ChEMBL. 17611105
IC50 (functional) = 37.8 uM Antiviral activity against influenza B/Sichuan/83/2000 virus in MDCK cells by CPE assay ChEMBL. 17611105

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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