Detailed information for compound 290688

Basic information

Technical information
  • TDR Targets ID: 290688
  • Name: 6-[(E)-2-phenylethenyl]-7H-purin-2-amine
  • MW: 237.26 | Formula: C13H11N5
  • H donors: 2 H acceptors: 3 LogP: 2.06 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1nc(/C=C/c2ccccc2)c2c(n1)nc[nH]2
  • InChi: 1S/C13H11N5/c14-13-17-10(11-12(18-13)16-8-15-11)7-6-9-4-2-1-3-5-9/h1-8H,(H3,14,15,16,17,18)/b7-6+
  • InChiKey: HLEIRHMCTPDEJE-VOTSOKGWSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-[(E)-styryl]-7H-purin-2-amine
  • [6-[(E)-styryl]-7H-purin-2-yl]amine
  • 6-[(E)-2-phenylvinyl]-7H-purin-2-amine
  • [6-[(E)-2-phenylvinyl]-7H-purin-2-yl]amine

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei glucose transporter, putative 0.0031 0.0413 0.0917
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0201 0.4505 0.4505
Leishmania major alpha glucosidase II subunit, putative 0.0035 0.05 0.1111
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0023 0.0201 0.0447
Loa Loa (eye worm) hypothetical protein 0.0035 0.0497 0.0505
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0101 0.2094 0.2129
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0031 0.0404 0.041
Echinococcus multilocularis lysosomal alpha glucosidase 0.0158 0.3456 0.3513
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0497 0.0505
Brugia malayi Cam kinase protein 1 0.0031 0.0404 0.041
Leishmania major lysyl-tRNA synthetase, putative 0.0023 0.0201 0.0447
Toxoplasma gondii isocitrate dehydrogenase 0.0015 0.0026 0.0039
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0031 0.0404 0.041
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0015 0.0026 0.0057
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0497 0.0505
Mycobacterium tuberculosis Lysyl-tRNA synthetase 2 LysX 0.0019 0.0119 0.0121
Trypanosoma cruzi hexose transporter, putative 0.0031 0.0413 0.0917
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0101 0.2094 0.2129
Onchocerca volvulus 0.0035 0.0497 0.2679
Brugia malayi beta-lactamase family protein 0.0035 0.0497 0.0505
Loa Loa (eye worm) hypothetical protein 0.0035 0.0497 0.0505
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0201 0.4505 0.4505
Trypanosoma cruzi hexose transporter, putative 0.0017 0.007 0.0156
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0015 0.0026 0.0026
Plasmodium falciparum hexose transporter 0.0101 0.2094 0.2094
Plasmodium vivax CDK-related protein kinase 6, putative 0.0429 1 1
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0015 0.0026 0.0026
Loa Loa (eye worm) hypothetical protein 0.0035 0.0497 0.0505
Mycobacterium leprae Probable lipase LipE 0.0035 0.0497 0.0389
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.003 0.0388 0.0395
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0015 0.0026 0.0057
Leishmania major glucose transporter, lmgt1 0.0031 0.0413 0.0917
Brugia malayi Isocitrate dehydrogenase 0.0015 0.0026 0.0026
Brugia malayi beta-lactamase 0.0035 0.0497 0.0505
Schistosoma mansoni protein kinase 0.0031 0.0404 0.041
Schistosoma mansoni hypothetical protein 0.0164 0.3609 0.3668
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.05 0.2389
Loa Loa (eye worm) hypothetical protein 0.0023 0.0201 0.0205
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0497 0.0505
Trypanosoma brucei THT1 - hexose transporter, putative 0.0031 0.0413 0.0917
Schistosoma mansoni alpha-glucosidase 0.0136 0.2927 0.2976
Mycobacterium ulcerans hypothetical protein 0.0035 0.0497 0.0505
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.003 0.0388 0.0395
Trichomonas vaginalis sugar transporter, putative 0.0031 0.0413 0.1973
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0031 0.0404 0.0404
Mycobacterium ulcerans beta-lactamase 0.0035 0.0497 0.0505
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0035 0.051 0.1131
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0015 0.0026 0.0026
Plasmodium vivax proline--tRNA ligase, putative 0.0035 0.051 0.051
Echinococcus multilocularis calcium dependent protein kinase 0.0029 0.0357 0.0363
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0497 0.0505
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.05 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0026 0.0026
Entamoeba histolytica protein kinase, putative 0.0031 0.0404 0.6763
Plasmodium falciparum calcium-dependent protein kinase 2 0.0031 0.0404 0.0404
Trichomonas vaginalis sugar transporter, putative 0.0031 0.0413 0.1973
Mycobacterium tuberculosis Conserved protein 0.0035 0.0497 0.0505
Brugia malayi lysyl-tRNA synthetase 0.0023 0.0201 0.0205
Plasmodium falciparum protein kinase 7 0.0286 0.6542 0.6542
Brugia malayi Sugar transporter family protein 0.0101 0.2094 0.2129
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.003 0.0388 0.0395
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.0035 0.051 0.0779
Trypanosoma brucei glucose transporter, putative 0.0031 0.0413 0.0917
Schistosoma mansoni alpha-glucosidase 0.0136 0.2927 0.2976
Chlamydia trachomatis dihydrofolate reductase 0.0423 0.9838 1
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0201 0.4505 0.6886
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0101 0.2094 0.2129
Loa Loa (eye worm) isocitrate dehydrogenase 0.0015 0.0026 0.0026
Giardia lamblia Prolyl-tRNA synthetase 0.003 0.0388 1
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0497 0.0505
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.0023 0.0201 0.0447
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0158 0.3456 0.3513
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.0035 0.051 0.1131
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0497 0.0505
Plasmodium falciparum calcium-dependent protein kinase 1 0.0031 0.0404 0.0404
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0497 0.0505
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0497 0.0505
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0497 0.0505
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0497 0.2373
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.05 0.2389
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0497 0.0497
Trypanosoma cruzi hexose transporter, putative 0.0031 0.0413 0.0917
Trypanosoma brucei glucose transporter, putative 0.0031 0.0413 0.0917
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0031 0.0404 0.0896
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0031 0.0404 0.041
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0201 0.4505 1
Trypanosoma brucei glucose transporter, putative 0.0031 0.0413 0.0917
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0101 0.2094 0.2129
Plasmodium vivax calcium-dependent protein kinase, putative 0.0031 0.0404 0.0404
Brugia malayi isocitrate dehydrogenase 0.0015 0.0026 0.0026
Plasmodium falciparum proline--tRNA ligase 0.0035 0.051 0.051
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0031 0.0404 0.041
Trichomonas vaginalis glucose transporter, putative 0.0031 0.0413 0.1973
Mycobacterium ulcerans lipase LipD 0.0035 0.0497 0.0505
Echinococcus granulosus dihydrofolate reductase 0.0423 0.9838 1
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0031 0.0404 0.0404
Loa Loa (eye worm) beta-lactamase 0.0035 0.0497 0.0505
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0497 0.0505
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0497 0.1103
Onchocerca volvulus 0.0035 0.0497 0.2679
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.05 0.2389
Trypanosoma brucei glucose transporter 2A 0.0031 0.0413 0.0917
Plasmodium falciparum calcium-dependent protein kinase 4 0.0031 0.0404 0.0404
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0026 0.0057
Onchocerca volvulus 0.0035 0.0497 0.2679
Echinococcus multilocularis dihydrofolate reductase 0.0423 0.9838 1
Echinococcus granulosus lysosomal alpha glucosidase 0.0158 0.3456 0.3513
Echinococcus granulosus lysyl tRNA synthetase 0.0023 0.0201 0.0205
Schistosoma mansoni hypothetical protein 0.0164 0.3609 0.3668
Schistosoma mansoni protein kinase 0.0031 0.0404 0.041
Echinococcus granulosus geminin 0.0164 0.3609 0.3668
Loa Loa (eye worm) hypothetical protein 0.003 0.0388 0.0395
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0031 0.0404 0.041
Trypanosoma brucei glucose transporter, putative 0.0031 0.0413 0.0917
Echinococcus multilocularis isocitrate dehydrogenase 0.0015 0.0026 0.0026
Trichomonas vaginalis maltase-glucoamylase, putative 0.0035 0.05 0.2389
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0423 0.9838 1
Trichomonas vaginalis sucrase-isomaltase, putative 0.0035 0.05 0.2389
Schistosoma mansoni lysyl-tRNA synthetase 0.0023 0.0201 0.0205
Echinococcus granulosus General substrate transporter 0.0087 0.1752 0.178
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.003 0.0388 0.0395
Schistosoma mansoni lysyl-tRNA synthetase 0.0023 0.0201 0.0205
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0101 0.2094 0.2129
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0223 0.5021 0.5104
Trichomonas vaginalis CAMK family protein kinase 0.0031 0.0404 0.1927
Trypanosoma brucei glucose transporter, putative 0.0031 0.0413 0.0917
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0031 0.0404 0.0617
Mycobacterium tuberculosis Conserved protein 0.0035 0.0497 0.0505
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.05 0.1111
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0035 0.051 0.1131
Echinococcus multilocularis lysosomal alpha glucosidase 0.0158 0.3456 0.3513
Trypanosoma brucei glucose transporter, putative 0.0031 0.0413 0.0917
Plasmodium falciparum calcium-dependent protein kinase 5 0.0031 0.0404 0.0404
Leishmania major protein kinase, putative 0.0031 0.0404 0.0896
Trypanosoma brucei THT1 - hexose transporter, putative 0.0031 0.0413 0.0917
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0031 0.0404 0.041
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0031 0.0404 0.041
Leishmania major hypothetical protein, conserved 0.0035 0.0497 0.1103
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0023 0.0201 0.0205
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0497 0.2373
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0035 0.05 0.0509
Trypanosoma brucei glucose transporter 1E 0.0031 0.0413 0.0917
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0497 0.0505
Plasmodium falciparum lysine--tRNA ligase 0.0023 0.0201 0.0201
Loa Loa (eye worm) hypothetical protein 0.0035 0.0497 0.0505
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0031 0.0404 0.0404
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0497 0.0505
Brugia malayi beta-lactamase family protein 0.0035 0.0497 0.0505
Schistosoma mansoni serine/threonine protein kinase 0.0031 0.0404 0.041
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0026 0.0026
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0035 0.051 0.1131
Giardia lamblia Lysyl-tRNA synthetase 0.0023 0.0201 0.5182
Loa Loa (eye worm) sugar transporter 0.0101 0.2094 0.2129
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0026 0.0026
Schistosoma mansoni hypothetical protein 0.0101 0.2094 0.2129
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.0413 0.1973
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0497 0.0389
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.05 0.2389
Onchocerca volvulus 0.0091 0.1855 1
Wolbachia endosymbiont of Brugia malayi major facilitator superfamily permease 0.0014 0 0.5
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.003 0.0388 0.0395
Trypanosoma cruzi hexose transporter, putative 0.0031 0.0413 0.0917
Schistosoma mansoni alpha glucosidase 0.0035 0.05 0.0509
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.0413 0.1973
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0497 0.0505
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0497 0.0505
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0026 0.0057
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.05 0.1111
Mycobacterium tuberculosis Conserved protein 0.0035 0.0497 0.0505
Mycobacterium tuberculosis Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.0019 0.0119 0.0121
Schistosoma mansoni glucose transport protein 0.0101 0.2094 0.2129
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0497 0.2373
Echinococcus granulosus neutral alpha glucosidase AB 0.0035 0.05 0.0509
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0497 0.1103
Schistosoma mansoni glucose transport protein 0.0101 0.2094 0.2129
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0497 0.1103
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0023 0.0201 0.0961
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0423 0.9838 1
Schistosoma mansoni glucose transport protein 0.0101 0.2094 0.2129
Toxoplasma gondii lysine-tRNA ligase 0.0023 0.0201 0.0308
Brugia malayi dihydrofolate reductase family protein 0.0423 0.9838 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.05 0.2389
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0015 0.0026 0.0026
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.003 0.0388 0.1855
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0101 0.2094 0.2129
Brugia malayi Dihydrofolate reductase 0.0423 0.9838 1
Echinococcus multilocularis neutral alpha glucosidase AB 0.0035 0.05 0.0509
Brugia malayi Glycosyl hydrolases family 31 protein 0.0158 0.3456 0.3513
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0035 0.05 0.0765
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0031 0.0404 0.0617
Entamoeba histolytica protein kinase, putative 0.0031 0.0404 0.6763
Trypanosoma brucei glucose transporter, putative 0.0031 0.0413 0.0917
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0031 0.0404 0.041
Leishmania major glucose transporter, lmgt2 0.0031 0.0413 0.0917
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0015 0.0026 0.0026
Plasmodium vivax mitogen-activated protein kinase 2, putative 0.0164 0.3595 0.3595
Toxoplasma gondii cell-cycle-associated protein kinase MAPK, putative 0.0164 0.3595 0.5495
Trypanosoma brucei THT1 - hexose transporter, putative 0.0031 0.0413 0.0917
Loa Loa (eye worm) hypothetical protein 0.0035 0.0497 0.0505
Plasmodium vivax hexose transporter 0.0101 0.2094 0.2094
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0023 0.0201 0.0084
Echinococcus granulosus calcium dependent protein kinase 0.0029 0.0357 0.0363
Echinococcus multilocularis lysyl tRNA synthetase 0.0023 0.0201 0.0205
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.002 0.0134 0.0641
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0101 0.2094 0.2129
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0031 0.0404 0.041
Plasmodium falciparum calcium-dependent protein kinase 3 0.0031 0.0404 0.0404
Toxoplasma gondii protein kinase, putative 0.0286 0.6542 1
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.003 0.0388 0.0277
Schistosoma mansoni protein kinase 0.0031 0.0404 0.041
Trypanosoma brucei glucosidase, putative 0.0035 0.05 0.1111
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0497 0.0505
Echinococcus multilocularis geminin 0.0164 0.3609 0.3668
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0035 0.051 0.1131
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0026 0.0057
Leishmania major glucose transporter/membrane transporter D2, putative 0.0031 0.0413 0.0917
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0423 0.9838 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0497 0.2373
Trichomonas vaginalis esterase, putative 0.0035 0.0497 0.2373
Trichomonas vaginalis conserved hypothetical protein 0.0101 0.2094 1
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0023 0.0201 0.0205
Toxoplasma gondii ABC1 family protein 0.0035 0.0497 0.0759
Loa Loa (eye worm) dihydrofolate reductase 0.0423 0.9838 1
Plasmodium falciparum mitogen-activated protein kinase 2 0.0164 0.3595 0.3595
Echinococcus multilocularis General substrate transporter 0.0087 0.1752 0.178
Trichomonas vaginalis sugar transporter, putative 0.0031 0.0413 0.1973
Toxoplasma gondii facilitative glucose transporter GT1 0.0101 0.2094 0.3201
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.05 0.2389
Loa Loa (eye worm) hypothetical protein 0.003 0.0388 0.0395
Trypanosoma cruzi hexose transporter 0.0031 0.0413 0.0917
Plasmodium vivax lysine--tRNA ligase, putative 0.0023 0.0201 0.0201
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.05 0.2389
Schistosoma mansoni dihydrofolate reductase 0.0423 0.9838 1
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.003 0.0388 0.6258
Loa Loa (eye worm) hypothetical protein 0.0035 0.0497 0.0505
Leishmania major glucose transporter, lmgt3 0.0031 0.0413 0.0917
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0201 0.4505 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0404 0.041
Trichomonas vaginalis glucose transporter, putative 0.0031 0.0413 0.1973
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.05 1
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0101 0.2094 0.2129
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.003 0.0388 0.0395
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0031 0.0404 0.041
Toxoplasma gondii isocitrate dehydrogenase 0.0015 0.0026 0.0039
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0031 0.0404 0.041
Brugia malayi Glycosyl hydrolases family 31 protein 0.0035 0.05 0.0509
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0497 0.2373
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0015 0.0026 0.0026
Loa Loa (eye worm) hypothetical protein 0.0025 0.0251 0.0255
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0201 0.4505 1
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0031 0.0404 0.0617

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 0 ug ml-1 Inhibitory concentration required against human chronic myelogenous leukemic K-562 cell line after 48h; not determined ChEMBL. 12617912
IC50 (functional) 0 ug ml-1 Inhibitory concentration required against human chronic myelogenous leukemic K-562 cell line after 5h; not determined ChEMBL. 12617912
Inhibition (functional) = 2 % Percent inhibition of [3H]-thymidine incorporation was determined in human chronic myelogenous leukemic K-562 cell line at 10 microg/mL after 48 hr ChEMBL. 12617912
Inhibition (functional) = 2 % Percent inhibition of [3H]-thymidine incorporation was determined in human chronic myelogenous leukemic K-562 cell line at 10 microg/mL after 48 hr ChEMBL. 12617912

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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