Detailed information for compound 331069

Basic information

Technical information
  • TDR Targets ID: 331069
  • Name: 3-[2-[[6-[(4-nitrophenyl)methylsulfanyl]purin -9-yl]methyl]phenyl]phenol
  • MW: 469.515 | Formula: C25H19N5O3S
  • H donors: 1 H acceptors: 6 LogP: 5.09 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1cccc(c1)c1ccccc1Cn1cnc2c1ncnc2SCc1ccc(cc1)[N+](=O)[O-]
  • InChi: 1S/C25H19N5O3S/c31-21-6-3-5-18(12-21)22-7-2-1-4-19(22)13-29-16-28-23-24(29)26-15-27-25(23)34-14-17-8-10-20(11-9-17)30(32)33/h1-12,15-16,31H,13-14H2
  • InChiKey: XXWWKZDSXDKSBU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[2-[[6-[(4-nitrophenyl)methylthio]-9-purinyl]methyl]phenyl]phenol
  • 3-[2-[[6-[(4-nitrobenzyl)thio]purin-9-yl]methyl]phenyl]phenol

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens solute carrier family 29 (equilibrative nucleoside transporter), member 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus equilibrative nucleoside transporter Get druggable targets OG5_127378 All targets in OG5_127378
Brugia malayi hypothetical protein Get druggable targets OG5_127378 All targets in OG5_127378
Candida albicans possible nucleoside transporter Get druggable targets OG5_127378 All targets in OG5_127378
Echinococcus multilocularis equilibrative nucleoside transporter 3 Get druggable targets OG5_127378 All targets in OG5_127378
Trichomonas vaginalis equilibrative nucleoside transporter, putative Get druggable targets OG5_127378 All targets in OG5_127378
Entamoeba histolytica nucleoside transporter, putative Get druggable targets OG5_127378 All targets in OG5_127378
Echinococcus granulosus equilibrative nucleoside transporter 3 Get druggable targets OG5_127378 All targets in OG5_127378
Trichomonas vaginalis equilibrative nucleoside transporter, putative Get druggable targets OG5_127378 All targets in OG5_127378
Onchocerca volvulus Equilibrative nucleoside transporter, putative homolog Get druggable targets OG5_127378 All targets in OG5_127378
Brugia malayi Nucleoside transporter family protein Get druggable targets OG5_127378 All targets in OG5_127378
Echinococcus multilocularis equilibrative nucleoside transporter protein Get druggable targets OG5_127378 All targets in OG5_127378
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127378 All targets in OG5_127378
Trichomonas vaginalis equilibrative nucleoside transporter, putative Get druggable targets OG5_127378 All targets in OG5_127378
Onchocerca volvulus Equilibrative nucleoside transporter, putative homolog Get druggable targets OG5_127378 All targets in OG5_127378
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127378 All targets in OG5_127378
Candida albicans possible nucleoside transporter Get druggable targets OG5_127378 All targets in OG5_127378
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127378 All targets in OG5_127378
Schistosoma japonicum Equilibrative nucleoside transporter 3, putative Get druggable targets OG5_127378 All targets in OG5_127378
Trichomonas vaginalis equilibrative nucleoside transporter, putative Get druggable targets OG5_127378 All targets in OG5_127378
Echinococcus multilocularis equilibrative nucleoside transporter 3 Get druggable targets OG5_127378 All targets in OG5_127378
Giardia lamblia Hypothetical protein Get druggable targets OG5_127378 All targets in OG5_127378
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei purine nucleoside transporter solute carrier family 29 (equilibrative nucleoside transporter), member 1 456 aa 396 aa 24.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0055 0.0842 0.1232
Trypanosoma brucei purine nucleoside transporter 0.0017 0.0143 0.0434
Trichomonas vaginalis equilibrative nucleoside transporter, putative 0.0098 0.1627 0.2471
Loa Loa (eye worm) SRC-1 0.0025 0.0281 0.0304
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0025 0.0281 0.027
Schistosoma mansoni tyrosine kinase 0.0025 0.0281 0.0281
Echinococcus granulosus equilibrative nucleoside transporter 0.0098 0.1627 0.1618
Trypanosoma brucei adenosine transporter 2, putative 0.0017 0.0143 0.0434
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0019 0.0172 0.0162
Loa Loa (eye worm) hypothetical protein 0.0019 0.0171 0.0181
Leishmania major nucleoside transporter 1, putative 0.0017 0.0143 0.1054
Schistosoma mansoni rhodopsin-like orphan GPCR 0.001 0.0011 0.0011
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.001 0.0011 0.0011
Schistosoma mansoni biogenic amine (dopamine) receptor 0.001 0.0011 0.0011
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0055 0.0842 0.1232
Schistosoma mansoni rhodopsin-like orphan GPCR 0.001 0.0011 0.0011
Schistosoma mansoni neuropeptide F-like receptor 0.001 0.0011 0.0011
Loa Loa (eye worm) hypothetical protein 0.0019 0.0171 0.0181
Loa Loa (eye worm) phosphatidylinositol 3 0.0013 0.0061 0.0056
Mycobacterium tuberculosis Conserved hypothetical protein 0.005 0.0738 0.1436
Trichomonas vaginalis equilibrative nucleoside transporter, putative 0.0098 0.1627 0.2471
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0055 0.0842 1
Trypanosoma cruzi nucleoside transporter 1, putative 0.0017 0.0143 0.013
Mycobacterium tuberculosis Probable UDP-N-acetylglucosamine pyrophosphorylase GlmU 0.027 0.4776 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0013 0.0061 0.0056
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0266 0.469 0.7302
Schistosoma mansoni alpha-1 adrenergic receptor 0.001 0.0011 0.0011
Brugia malayi SRC-1 0.0025 0.0281 0.0423
Trypanosoma cruzi nucleoside transporter-like, putative 0.0017 0.0143 0.013
Trichomonas vaginalis equilibrative nucleoside transporter, putative 0.0017 0.0143 0.013
Loa Loa (eye worm) TK protein kinase 0.0023 0.0243 0.0261
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0116 0.1957 0.2991
Schistosoma mansoni biogenic amine (5HT) receptor 0.001 0.0011 0.0011
Onchocerca volvulus Equilibrative nucleoside transporter, putative homolog 0.0098 0.1627 1
Echinococcus multilocularis tyrosine protein kinase Blk 0.0023 0.0243 0.0232
Schistosoma mansoni protein kinase 0.0017 0.0148 0.0148
Schistosoma mansoni fkbp-rapamycin associated protein 0.0013 0.0061 0.0061
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0116 0.1957 1
Trypanosoma brucei nucleoside transporter 1, putative 0.0017 0.0143 0.0434
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0055 0.0842 0.4117
Onchocerca volvulus Equilibrative nucleoside transporter, putative homolog 0.0098 0.1627 1
Trypanosoma brucei nucleobase/nucleoside transporter 8.1, putative 0.0017 0.0143 0.0434
Entamoeba histolytica hypothetical protein 0.0298 0.5285 0.824
Schistosoma mansoni tyrosine kinase 0.0049 0.0723 0.0723
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0116 0.1957 0.2991
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0025 0.0281 0.027
Schistosoma mansoni peptide (allatostatin)-like receptor 0.001 0.0011 0.0011
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0205 0.3574 1
Entamoeba histolytica nucleoside transporter, putative 0.0017 0.0143 0.013
Trypanosoma brucei adenosine transporter, putative 0.0017 0.0143 0.0434
Leishmania major nucleobase transporter 0.0017 0.0143 0.1054
Echinococcus granulosus tyrosine protein kinase Fyn 0.0025 0.0281 0.027
Toxoplasma gondii nucleoside transporter protein 0.0017 0.0143 0.1054
Wolbachia endosymbiont of Brugia malayi N-acetylglucosamine-1-phosphate uridyltransferase 0.027 0.4776 0.5
Trypanosoma cruzi nucleoside transporter 1, putative 0.0017 0.0143 0.013
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0055 0.0842 0.0936
Trypanosoma brucei nucleobase/nucleoside transporter 8.1, putative 0.0017 0.0143 0.0434
Schistosoma mansoni biogenic amine receptor 0.001 0.0011 0.0011
Trypanosoma brucei nucleoside transporter 1, putative 0.0017 0.0143 0.0434
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0149 0.2552 0.393
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0055 0.0842 0.13
Loa Loa (eye worm) phosphatidylinositol 3 0.0013 0.0061 0.0056
Trichomonas vaginalis equilibrative nucleoside transporter, putative 0.0098 0.1627 0.2471
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0025 0.0281 0.027
Schistosoma mansoni adenoreceptor 0.001 0.0011 0.0011
Brugia malayi Immunoglobulin I-set domain containing protein 0.0019 0.0182 0.0268
Schistosoma mansoni biogenic amine receptor 0.001 0.0011 0.0011
Echinococcus granulosus insulin receptor 0.003 0.0387 0.0376
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0116 0.1957 0.2991
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0074 0.1176 0.3175
Trypanosoma brucei unspecified product 0.0017 0.0143 0.0434
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0013 0.0061 0.005
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0359 0.6401 1
Echinococcus granulosus c-Jun N-terminal kinases 0.015 0.2567 0.2559
Toxoplasma gondii nucleoside transporter protein 0.0017 0.0143 0.1054
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0055 0.0842 0.1232
Brugia malayi hypothetical protein 0.0017 0.0143 0.0207
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0032 0.0421 0.0411
Entamoeba histolytica nucleoside transporter, putative 0.0098 0.1627 0.2471
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.001 0.0011 0.0011
Brugia malayi Protein kinase domain containing protein 0.003 0.0387 0.0588
Loa Loa (eye worm) hypothetical protein 0.0013 0.0072 0.0069
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0023 0.0243 0.0232
Loa Loa (eye worm) TK protein kinase 0.0063 0.0983 0.1096
Schistosoma mansoni opsin-like receptor 0.001 0.0011 0.0011
Echinococcus multilocularis epidermal growth factor receptor 0.0049 0.0723 0.0714
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0055 0.0842 1
Brugia malayi Furin-like cysteine rich region family protein 0.0088 0.1439 0.2235
Loa Loa (eye worm) CMGC/MAPK/JNK protein kinase 0.015 0.2567 0.2881
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0055 0.0842 1
Echinococcus granulosus tyrosine protein kinase Src42A 0.0019 0.0172 0.0162
Trypanosoma brucei nucleobase/nucleoside transporter 8.1, putative 0.0017 0.0143 0.0434
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0032 0.0421 0.0411
Schistosoma mansoni amine GPCR 0.001 0.0011 0.0011
Echinococcus multilocularis epidermal growth factor receptor 0.0088 0.1439 0.143
Echinococcus multilocularis Immunoglobulin 0.0013 0.0072 0.0062
Echinococcus multilocularis insulin receptor 0.003 0.0387 0.0376
Schistosoma mansoni vesicular amine transporter 0.0013 0.0072 0.0072
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0025 0.0281 0.027
Schistosoma mansoni cell adhesion molecule 0.0017 0.0146 0.0146
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0055 0.0842 0.1232
Echinococcus multilocularis equilibrative nucleoside transporter protein 0.0098 0.1627 0.1618
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0013 0.0061 0.0061
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0266 0.469 0.7302
Brugia malayi Immunoglobulin I-set domain containing protein 0.0063 0.0983 0.1522
Entamoeba histolytica nucleoside transporter, putative 0.0017 0.0143 0.013
Trypanosoma brucei adenosine transporter 2, putative 0.0017 0.0143 0.0434
Schistosoma mansoni tyrosine kinase 0.003 0.0387 0.0387
Brugia malayi hypothetical protein 0.0015 0.0107 0.015
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0025 0.0281 0.027
Trypanosoma brucei unspecified product 0.0017 0.0143 0.0434
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0055 0.0842 0.0842
Schistosoma mansoni myosin xvIII 0.001 0.0011 0.0011
Loa Loa (eye worm) phosphatidylinositol kinase 0.0013 0.0061 0.0056
Schistosoma mansoni hypothetical protein 0.001 0.0011 0.0011
Echinococcus granulosus tyrosine protein kinase Fyn 0.0025 0.0281 0.027
Schistosoma mansoni tyrosine kinase 0.006 0.0924 0.0924
Schistosoma mansoni tyrosine kinase 0.0045 0.0653 0.0653
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0197 0.343 0.5351
Trypanosoma cruzi nucleobase transporter, putative 0.0017 0.0143 0.013
Loa Loa (eye worm) phosphatidylinositol 3 0.0104 0.1728 0.1935
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.021 0.3668 0.3661
Trichomonas vaginalis equilibrative nucleoside transporter, putative 0.0017 0.0143 0.013
Loa Loa (eye worm) phosphatidylinositol 3 0.0013 0.0061 0.0056
Giardia lamblia Hypothetical protein 0.0098 0.1627 0.4459
Schistosoma mansoni neuropeptide f receptor 76f 0.001 0.0011 0.0011
Trypanosoma brucei adenosine transporter 2, putative 0.0017 0.0143 0.0434
Schistosoma mansoni neuropeptide receptor 0.001 0.0011 0.0011
Trypanosoma cruzi nucleoside transporter 1, putative 0.0017 0.0143 0.013
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0013 0.0061 0.0078
Loa Loa (eye worm) hypothetical protein 0.0015 0.0107 0.0108
Echinococcus multilocularis equilibrative nucleoside transporter 3 0.0081 0.1315 0.1306
Loa Loa (eye worm) phosphatidylinositol 3 0.0495 0.8884 1
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0013 0.0061 0.005
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0013 0.0061 0.005
Schistosoma mansoni rhodopsin-like orphan GPCR 0.001 0.0011 0.0011
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0025 0.0281 0.027
Echinococcus multilocularis serine protein kinase ATM 0.0013 0.0061 0.005
Schistosoma mansoni amine GPCR 0.001 0.0011 0.0011
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0055 0.0842 1
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0025 0.0281 0.027
Loa Loa (eye worm) phosphatidylinositol 3 0.0013 0.0061 0.0056
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0359 0.6401 1
Echinococcus multilocularis 0.0013 0.0061 0.005
Loa Loa (eye worm) hypothetical protein 0.0017 0.0143 0.0149
Onchocerca volvulus 0.0013 0.0061 0.0309
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0013 0.0061 0.0078
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0055 0.0842 0.0832
Echinococcus multilocularis roundabout 2 0.002 0.0206 0.0195
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.001 0.0011 0.0011
Schistosoma mansoni opsin-like receptor 0.001 0.0011 0.0011
Echinococcus granulosus fibroblast growth factor receptor 4 0.006 0.0924 0.0914
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0013 0.0061 0.0078
Loa Loa (eye worm) hypothetical protein 0.0013 0.0061 0.0056
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0055 0.0842 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.001 0.0011 0.0011
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.001 0.0011 0.0011
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0347 0.6171 0.9638
Brugia malayi Nucleoside transporter family protein 0.0098 0.1627 0.253
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0013 0.0061 0.005
Schistosoma mansoni histamine h1 receptor 0.001 0.0011 0.0011
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0116 0.1957 0.2991
Trichomonas vaginalis equilibrative nucleoside transporter, putative 0.0098 0.1627 0.2471
Schistosoma mansoni rhodopsin-like orphan GPCR 0.001 0.0011 0.0011
Schistosoma mansoni biogenic amine (5HT) receptor 0.001 0.0011 0.0011
Echinococcus granulosus equilibrative nucleoside transporter 3 0.0098 0.1627 0.1618
Trichomonas vaginalis equilibrative nucleoside transporter, putative 0.0017 0.0143 0.013
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.001 0.0011 0.0011
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0013 0.0061 0.005
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0359 0.6401 1
Leishmania major nucleobase transporter 0.0017 0.0143 0.1054
Brugia malayi Stress-activated protein kinase jnk-1 0.015 0.2567 0.4
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0013 0.0061 0.0061
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0013 0.0061 0.0061
Schistosoma mansoni growth hormone secretagogue receptor 0.001 0.0011 0.0011
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0013 0.0061 0.005
Brugia malayi Fibronectin type III domain containing protein 0.0015 0.0107 0.015
Leishmania major inosine-guanosine transporter;with=GeneDB:LinJ36_V3.2040 0.0017 0.0143 0.1054
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0359 0.6401 1
Schistosoma mansoni amine GPCR 0.001 0.0011 0.0011
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0023 0.0243 0.0232
Schistosoma mansoni serine/threonine protein kinase 0.015 0.2567 0.2567
Echinococcus granulosus epidermal growth factor receptor 0.0088 0.1439 0.143
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0013 0.0061 0.005
Loa Loa (eye worm) hypothetical protein 0.021 0.3668 0.4122
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.001 0.0011 0.0011
Schistosoma mansoni amine GPCR 0.001 0.0011 0.0011
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0055 0.0842 0.1232
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0013 0.0061 0.005
Loa Loa (eye worm) hypothetical protein 0.0013 0.0061 0.0056
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0116 0.1957 0.2991
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.021 0.3668 0.3661
Treponema pallidum licC protein (licC) 0.005 0.0738 0.5
Schistosoma mansoni neuropeptide receptor 0.001 0.0011 0.0011
Schistosoma mansoni tyrosine kinase 0.0049 0.0723 0.0723
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0359 0.6401 1
Schistosoma mansoni hypothetical protein 0.001 0.0011 0.0011
Loa Loa (eye worm) hypothetical protein 0.0098 0.1627 0.1822
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0055 0.0842 0.1232
Echinococcus granulosus basic fibroblast growth factor receptor 1 A 0.006 0.0924 0.0914
Trypanosoma brucei adenosine transporter 2 0.0017 0.0143 0.0434
Schistosoma mansoni rhodopsin-like orphan GPCR 0.001 0.0011 0.0011
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0013 0.0061 0.0061
Trypanosoma brucei purine nucleoside transporter 0.0017 0.0143 0.0434
Trypanosoma brucei adenosine transporter 2 0.0017 0.0143 0.0434
Mycobacterium leprae Probable UDP-N-acetylglucosamine pyrophosphorylase GlmU 0.027 0.4776 1
Echinococcus granulosus tyrosine protein kinase HCK 0.002 0.0204 0.0193
Brugia malayi protein-tyrosine kinase 0.0023 0.0243 0.0363
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.001 0.0011 0.0011
Trypanosoma cruzi nucleobase transporter, putative 0.0017 0.0143 0.013
Schistosoma mansoni hypothetical protein 0.001 0.0011 0.0011
Echinococcus granulosus tyrosine protein kinase Lyn 0.0025 0.0286 0.0276
Loa Loa (eye worm) hypothetical protein 0.0015 0.0107 0.0108
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0015 0.0112 0.0101
Trypanosoma brucei nucleobase/nucleoside transporter 8.1 0.0017 0.0143 0.0434
Loa Loa (eye worm) hypothetical protein 0.0149 0.2564 0.2877
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.001 0.0011 0.0011
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0013 0.0061 0.0078
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0013 0.0061 0.0078
Loa Loa (eye worm) phosphatidylinositol 3 0.0013 0.0061 0.0056
Onchocerca volvulus 0.0013 0.0061 0.0309
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0025 0.0281 0.027
Trichomonas vaginalis equilibrative nucleoside transporter, putative 0.0017 0.0143 0.013
Trypanosoma cruzi nucleobase transporter, putative 0.0017 0.0143 0.013
Brugia malayi Immunoglobulin I-set domain containing protein 0.0015 0.0107 0.015
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0013 0.0072 0.0072
Schistosoma mansoni neuropeptide receptor 0.001 0.0011 0.0011
Echinococcus granulosus tyrosine protein kinase Fyn 0.0025 0.0281 0.027
Echinococcus multilocularis neuroglian 0.0016 0.0132 0.0121
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0556 1 1
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0055 0.0842 0.0832
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0013 0.0061 0.005
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0013 0.0061 0.0061
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0013 0.0061 0.005
Echinococcus granulosus twitchin 0.0017 0.0137 0.0127
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0013 0.0061 0.0061
Leishmania major phosphatidylinositol 3-kinase, putative 0.0055 0.0842 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.001 0.0011 0.0011
Toxoplasma gondii nucleoside transporter protein 0.0017 0.0143 0.1054
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0055 0.0842 0.1232
Echinococcus multilocularis basic fibroblast growth factor receptor 1 A 0.006 0.0924 0.0914
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0013 0.0061 0.0078
Loa Loa (eye worm) hypothetical protein 0.0013 0.0061 0.0056
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.001 0.0011 0.0011
Echinococcus multilocularis tyrosine protein kinase HCK 0.002 0.0204 0.0193
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0116 0.1957 0.2991
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0025 0.0281 0.027
Leishmania major nucleoside transporter 1, putative 0.0017 0.0143 0.1054
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0019 0.0182 0.0193
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0359 0.6401 1
Schistosoma mansoni hypothetical protein 0.001 0.0011 0.0011
Loa Loa (eye worm) hypothetical protein 0.0098 0.1627 0.1822
Echinococcus granulosus roundabout 2 0.002 0.0206 0.0195
Loa Loa (eye worm) hypothetical protein 0.0015 0.0107 0.0108
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0013 0.0072 0.0072
Schistosoma mansoni biogenic amine receptor 0.001 0.0011 0.0011
Echinococcus multilocularis c Jun NH2 terminal kinase 0.015 0.2567 0.2559
Trypanosoma brucei nucleobase/nucleoside transporter 8.1 0.0017 0.0143 0.0434
Loa Loa (eye worm) hypothetical protein 0.0098 0.1627 0.1822
Schistosoma mansoni opsin-like receptor 0.001 0.0011 0.0011
Toxoplasma gondii eukaryotic initiation factor-2B, gamma subunit, putative 0.005 0.0738 0.8671
Echinococcus multilocularis 0.0026 0.031 0.0299
Trypanosoma cruzi nucleoside transporter-like, putative 0.0017 0.0143 0.013
Loa Loa (eye worm) hypothetical protein 0.0013 0.0072 0.0069
Schistosoma mansoni tyrosine kinase 0.003 0.0387 0.0387
Schistosoma mansoni equilibrative nucleoside transporter 0.0017 0.0143 0.0143
Echinococcus granulosus tyrosine protein kinase Blk 0.0023 0.0243 0.0232
Schistosoma mansoni biogenic amine (dopamine) receptor 0.001 0.0011 0.0011
Schistosoma mansoni neuropeptide receptor 0.001 0.0011 0.0011
Echinococcus granulosus tyrosine protein kinase Src42A 0.0025 0.0281 0.027
Echinococcus multilocularis Zinc finger, PHD finger 0.0055 0.0842 0.0832
Loa Loa (eye worm) TK/INSR protein kinase 0.003 0.0387 0.0424
Echinococcus granulosus serine protein kinase ATM 0.0013 0.0061 0.005
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0013 0.0061 0.005
Echinococcus granulosus Immunoglobulin 0.0013 0.0072 0.0062
Schistosoma mansoni rhodopsin-like orphan GPCR 0.001 0.0011 0.0011
Echinococcus granulosus tyrosine protein kinase Src64B 0.0025 0.0281 0.027
Schistosoma mansoni biogenic amine (dopamine) receptor 0.001 0.0011 0.0011
Schistosoma mansoni tyrosine kinase 0.0045 0.0653 0.0653
Trypanosoma brucei nucleobase/nucleoside transporter 8.1, putative 0.0017 0.0143 0.0434
Schistosoma mansoni tyrosine kinase 0.0088 0.1439 0.1439
Trichomonas vaginalis equilibrative nucleoside transporter, putative 0.0017 0.0143 0.013
Echinococcus multilocularis Immunoglobulin 0.0013 0.0072 0.0062
Brugia malayi hypothetical protein 0.0098 0.1627 0.253
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0025 0.0281 0.027
Trypanosoma brucei adenosine transporter 2, putative 0.0017 0.0143 0.0434
Echinococcus multilocularis equilibrative nucleoside transporter 3 0.0098 0.1627 0.1618
Schistosoma mansoni amine GPCR 0.001 0.0011 0.0011
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0116 0.1957 0.1957
Echinococcus granulosus neuroglian 0.0016 0.0132 0.0121
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0298 0.5285 0.824
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0013 0.0061 0.005
Schistosoma mansoni tyrosine kinase 0.0045 0.0653 0.0653
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0104 0.1728 0.2629
Schistosoma mansoni tyrosine kinase 0.0025 0.0281 0.0281
Schistosoma mansoni hypothetical protein 0.0013 0.0061 0.0061
Loa Loa (eye worm) hypothetical protein 0.0015 0.0112 0.0114
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0055 0.0842 0.0842
Schistosoma mansoni rhodopsin-like orphan GPCR 0.001 0.0011 0.0011
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0556 1 1
Echinococcus multilocularis tyrosine protein kinase Srms 0.0023 0.0243 0.0232
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0359 0.6401 1
Mycobacterium ulcerans bifunctional N-acetylglucosamine-1-phosphate uridyltransferase/glucosamine-1-phosphate acetyltransferase 0.027 0.4776 1
Trypanosoma brucei nucleobase/nucleoside transporter 8.1, putative 0.0017 0.0143 0.0434
Echinococcus granulosus epidermal growth factor receptor 0.0049 0.0723 0.0714
Loa Loa (eye worm) TK/EGFR protein kinase 0.0088 0.1439 0.161
Trypanosoma brucei adenosine transporter 2, putative 0.0017 0.0143 0.0434
Trypanosoma brucei adenosine transporter, putative 0.0017 0.0143 0.0434
Loa Loa (eye worm) TK protein kinase 0.002 0.0204 0.0217
Echinococcus multilocularis fibroblast growth factor receptor 4 0.006 0.0924 0.0914
Echinococcus granulosus defective proboscis extension response 0.0013 0.0072 0.0062
Loa Loa (eye worm) hypothetical protein 0.0013 0.0072 0.0069
Entamoeba histolytica protein kinase, putative 0.002 0.0204 0.0225
Mycobacterium tuberculosis Conserved hypothetical protein 0.005 0.0738 0.1436
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.021 0.3668 0.5723
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0055 0.0842 0.0832
Schistosoma mansoni nephrin 0.0018 0.0166 0.0166
Echinococcus granulosus tyrosine kinase 0.0023 0.0243 0.0232
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0049 0.0723 0.0714
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0116 0.1957 0.3046
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0025 0.0281 0.027
Schistosoma mansoni neuropeptide F-like receptor 0.001 0.0011 0.0011
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0013 0.0061 0.0078
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0013 0.0061 0.005
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0013 0.0072 0.0062

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 196 nM Inhibition of [3H]-NBTI binding to nucleoside transport protein of human erythrocyte membrane ChEMBL. 15481982
Ki (binding) = 196 nM Inhibition of [3H]-NBTI binding to nucleoside transport protein of human erythrocyte membrane ChEMBL. 15481982

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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