Detailed information for compound 408946

Basic information

Technical information
  • TDR Targets ID: 408946
  • Name: (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-m ethylbut-2-enyl)-2,3-dihydrochromen-4-one
  • MW: 340.37 | Formula: C20H20O5
  • H donors: 3 H acceptors: 4 LogP: 4.32 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=CCc1c(O)cc(c2c1O[C@@H](CC2=O)c1ccc(cc1)O)O)C
  • InChi: 1S/C20H20O5/c1-11(2)3-8-14-15(22)9-16(23)19-17(24)10-18(25-20(14)19)12-4-6-13(21)7-5-12/h3-7,9,18,21-23H,8,10H2,1-2H3/t18-/m0/s1
  • InChiKey: LPEPZZAVFJPLNZ-SFHVURJKSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chroman-4-one
  • (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-3,4-dihydro-2H-1-benzopyran-4-one
  • 8-prenylnaringenin
  • (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-4-chromanone
  • 5,7-Dihydroxy-2-(4-hydroxy-phenyl)-8-(3-methyl-but-2-enyl)-1-benzopyran-4-one
  • AIDS-095901
  • AIDS095901
  • YS04
  • ZINC00039452

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens arachidonate 5-lipoxygenase Starlite/ChEMBL References
Homo sapiens ATP-binding cassette, sub-family G (WHITE), member 2 (Junior blood group) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus ATP binding cassette sub family G Get druggable targets OG5_126574 All targets in OG5_126574
Candida albicans multidrug resistance ABC transporter similar to S. cerevisiae PDR5 (YOR153W) Get druggable targets OG5_126574 All targets in OG5_126574
Schistosoma japonicum ATP-binding cassette sub-family G member 1, putative Get druggable targets OG5_126574 All targets in OG5_126574
Trypanosoma brucei ATP-binding cassette protein, putative Get druggable targets OG5_126574 All targets in OG5_126574
Candida albicans identical to C terminus of nonallelic CaP19.919 Get druggable targets OG5_126574 All targets in OG5_126574
Leishmania braziliensis ATP-binding cassette protein, putative Get druggable targets OG5_126574 All targets in OG5_126574
Cryptosporidium hominis ABC transporter protein Get druggable targets OG5_126574 All targets in OG5_126574
Toxoplasma gondii ATP-binding cassette G family transporter ABCG84 Get druggable targets OG5_126574 All targets in OG5_126574
Candida albicans potential ABC family transporter similar to S. cerevisiae YNR070W Get druggable targets OG5_126574 All targets in OG5_126574
Echinococcus multilocularis arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma japonicum ko:K05681 ATP-binding cassette, subfamily G (WHITE), member 2, putative Get druggable targets OG5_126574 All targets in OG5_126574
Candida albicans identical to C terminus of nonallelic CaP19.919 Get druggable targets OG5_126574 All targets in OG5_126574
Plasmodium vivax ABC transporter G family member 2, putative Get druggable targets OG5_126574 All targets in OG5_126574
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein Get druggable targets OG5_126574 All targets in OG5_126574
Trypanosoma congolense ABC transporter, putative Get druggable targets OG5_126574 All targets in OG5_126574
Candida albicans similar to N terminus of CaP19.6000 multidrug resistance transporter CDR1 Get druggable targets OG5_126574 All targets in OG5_126574
Leishmania donovani ATP-binding cassette protein subfamily G, member 4, putative Get druggable targets OG5_126574 All targets in OG5_126574
Brugia malayi ABC transporter family protein Get druggable targets OG5_126574 All targets in OG5_126574
Schistosoma japonicum IPR001024,Lipoxygenase, LH2;IPR013819,Lipoxygenase, C-terminal,domain-containing Get druggable targets OG5_127482 All targets in OG5_127482
Trypanosoma brucei gambiense ATP-binding cassette protein, putative Get druggable targets OG5_126574 All targets in OG5_126574
Schistosoma mansoni ABC transporter Get druggable targets OG5_126574 All targets in OG5_126574
Schistosoma japonicum ko:K00461 arachidonate 5-lipoxygenase [EC1.13.11.34], putative Get druggable targets OG5_127482 All targets in OG5_127482
Plasmodium knowlesi ABC transporter G family member 2, putative Get druggable targets OG5_126574 All targets in OG5_126574
Candida albicans multidrug resistance ABC transporter similar to S. cerevisiae PDR5 (YOR153W) Get druggable targets OG5_126574 All targets in OG5_126574
Leishmania infantum ATP-binding cassette protein subfamily G, member 4, putative Get druggable targets OG5_126574 All targets in OG5_126574
Echinococcus multilocularis ATP binding cassette sub family G Get druggable targets OG5_126574 All targets in OG5_126574
Echinococcus multilocularis ATP binding cassette sub family G Get druggable targets OG5_126574 All targets in OG5_126574
Echinococcus granulosus arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Plasmodium falciparum ABC transporter G family member 2 Get druggable targets OG5_126574 All targets in OG5_126574
Entamoeba histolytica ABC transporter, putative Get druggable targets OG5_126574 All targets in OG5_126574
Candida albicans similar to S. cerevisiae PDR5 (YOR153W) Get druggable targets OG5_126574 All targets in OG5_126574
Trypanosoma brucei ABC transporter, putative Get druggable targets OG5_126574 All targets in OG5_126574
Echinococcus multilocularis ATP binding cassette sub family G Get druggable targets OG5_126574 All targets in OG5_126574
Trypanosoma congolense ATP-binding cassette protein, putative Get druggable targets OG5_126574 All targets in OG5_126574
Candida albicans potential ABC transporter whose deletion does not affect fluconazole resistance Get druggable targets OG5_126574 All targets in OG5_126574
Leishmania major ATP-binding cassette protein subfamily G, member 4, putative Get druggable targets OG5_126574 All targets in OG5_126574
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Candida albicans similar to N terminus of CaP19.6000 multidrug resistance transporter CDR1 Get druggable targets OG5_126574 All targets in OG5_126574
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein Get druggable targets OG5_126574 All targets in OG5_126574
Trypanosoma brucei gambiense ABC transporter, putative Get druggable targets OG5_126574 All targets in OG5_126574
Leishmania mexicana ABC transporter, putative Get druggable targets OG5_126574 All targets in OG5_126574
Trypanosoma cruzi ATP-binding cassette protein, putative Get druggable targets OG5_126574 All targets in OG5_126574
Candida albicans multidrug resistance protein CDR1 originally isolated by ability to functionally substitute for S. cerevisiae PDR5 (YOR153W) ABC Get druggable targets OG5_126574 All targets in OG5_126574
Candida albicans potential ABC transporter whose deletion does not affect fluconazole resistance Get druggable targets OG5_126574 All targets in OG5_126574
Schistosoma mansoni hypothetical protein Get druggable targets OG5_126574 All targets in OG5_126574
Echinococcus granulosus ATP binding cassette sub family G Get druggable targets OG5_126574 All targets in OG5_126574
Candida albicans multidrug resistance protein CDR1 originally isolated by ability to functionally substitute for S. cerevisiae PDR5 (YOR153W) ABC Get druggable targets OG5_126574 All targets in OG5_126574
Candida albicans N terminal 2/3 of Opaque-specific ABC transporter Get druggable targets OG5_126574 All targets in OG5_126574
Plasmodium berghei ABC transporter G family member 2, putative Get druggable targets OG5_126574 All targets in OG5_126574
Neospora caninum hypothetical protein Get druggable targets OG5_126574 All targets in OG5_126574
Leishmania major ATP-binding cassette protein subfamily G, member 6, putative Get druggable targets OG5_126574 All targets in OG5_126574
Loa Loa (eye worm) ABC transporter Get druggable targets OG5_126574 All targets in OG5_126574
Cryptosporidium parvum ABC transporter, AAA domain Get druggable targets OG5_126574 All targets in OG5_126574
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein Get druggable targets OG5_126574 All targets in OG5_126574
Trypanosoma cruzi ABC transporter, putative Get druggable targets OG5_126574 All targets in OG5_126574
Mycobacterium tuberculosis Probable conserved transmembrane ATP-binding protein ABC transporter Get druggable targets OG5_126574 All targets in OG5_126574
Candida albicans potential ABC transporter similar to S. cerevisiae YOL075C Get druggable targets OG5_126574 All targets in OG5_126574
Candida albicans potential ABC transporter similar to S. cerevisiae YOL075C Get druggable targets OG5_126574 All targets in OG5_126574
Giardia lamblia ABC transporter Get druggable targets OG5_126574 All targets in OG5_126574
Schistosoma mansoni ATP-binding cassette sub-family g2 (white protein) (abcg2) Get druggable targets OG5_126574 All targets in OG5_126574
Echinococcus granulosus ATP binding cassette sub family G Get druggable targets OG5_126574 All targets in OG5_126574
Candida albicans similar to S. cerevisiae PDR5 (YOR153W) Get druggable targets OG5_126574 All targets in OG5_126574
Leishmania braziliensis ABC transporter, putative Get druggable targets OG5_126574 All targets in OG5_126574
Candida albicans N terminal 2/3 of Opaque-specific ABC transporter Get druggable targets OG5_126574 All targets in OG5_126574
Candida albicans potential ABC family transporter similar to S. cerevisiae YNR070W Get druggable targets OG5_126574 All targets in OG5_126574
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei ABC transporter, putative ATP-binding cassette, sub-family G (WHITE), member 2 (Junior blood group) 611 aa 557 aa 28.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0115 0.0206 0.0206
Echinococcus granulosus tumor protein p63 0.0339 0.0736 0.0736
Entamoeba histolytica protein kinase domain containing protein 0.0029 0 0.5
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0033 0.0009 0.0839
Entamoeba histolytica protein kinase domain containing protein 0.0029 0 0.5
Entamoeba histolytica protein kinase, putative 0.0029 0 0.5
Echinococcus multilocularis neuropeptide s receptor 0.0875 0.2006 0.2006
Entamoeba histolytica tyrosine kinase, putative 0.0029 0 0.5
Giardia lamblia Protein 21.1 0.0029 0 0.5
Echinococcus multilocularis insulin receptor 0.273 0.6404 0.6404
Entamoeba histolytica serine/threonine kinase, putative 0.0029 0 0.5
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.007 0.0097 0.0097
Entamoeba histolytica receptor protein kinase, putative 0.0029 0 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0249 0.0523 0.0523
Echinococcus granulosus geminin 0.0205 0.0417 0.0417
Entamoeba histolytica tyrosin kinase, putative 0.0029 0 0.5
Entamoeba histolytica protein kinase, putative 0.0029 0 0.5
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.007 0.0097 0.0097
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0074 0.0106 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0074 0.0106 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0053 0.0058 0.0161
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0074 0.0106 1
Entamoeba histolytica protein kinase domain containing protein 0.0029 0 0.5
Echinococcus granulosus transcription factor eb 0.0108 0.0189 0.0189
Entamoeba histolytica hypothetical protein 0.0029 0 0.5
Echinococcus multilocularis beta LACTamase domain containing family member 0.0044 0.0035 0.0035
Loa Loa (eye worm) hypothetical protein 0.005 0.005 0.005
Entamoeba histolytica tyrosine kinase, putative 0.0029 0 0.5
Entamoeba histolytica hypothetical protein 0.0029 0 0.5
Entamoeba histolytica hypothetical protein 0.0029 0 0.5
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 0.0106 1
Entamoeba histolytica protein kinase domain containing protein 0.0029 0 0.5
Entamoeba histolytica protein tyrosine kinase domain-containing protein 0.0029 0 0.5
Entamoeba histolytica protein tyrosine kinase domain-containing protein 0.0029 0 0.5
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0053 0.0058 0.0058
Brugia malayi Cytochrome P450 family protein 0.0063 0.0081 0.0081
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0051 0.0052 0.0143
Brugia malayi Helix-loop-helix DNA-binding domain containing protein 0.0108 0.0189 0.0189
Entamoeba histolytica protein tyrosine kinase domain-containing protein 0.0029 0 0.5
Echinococcus granulosus neuropeptide receptor A26 0.0875 0.2006 0.2006
Entamoeba histolytica protein kinase, putative 0.0029 0 0.5
Brugia malayi hypothetical protein 0.0152 0.0292 0.0292
Entamoeba histolytica serine/threonine kinase, putative 0.0029 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0247 0.0516 0.0516
Loa Loa (eye worm) hypothetical protein 0.0044 0.0035 0.0035
Mycobacterium ulcerans aldehyde dehydrogenase 0.0053 0.0058 0.3719
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 0.0106 1
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0035 0.0098
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase 0.0074 0.0106 0.0106
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.005 0.0051 0.0141
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0051 0.0052 0.0052
Entamoeba histolytica protein tyrosine kinase domain-containing protein 0.0029 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0044 0.0035 0.0035
Entamoeba histolytica tyrosin kinase, putative 0.0029 0 0.5
Entamoeba histolytica tyrosine kinase, putative 0.0029 0 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0365 0.0797 0.0797
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0115 0.0206 0.0206
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0044 0.0035 0.0035
Loa Loa (eye worm) hypothetical protein 0.0033 0.0009 0.0009
Trichomonas vaginalis D-aminoacylase, putative 0.0044 0.0035 0.3328
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0074 0.0106 1
Trichomonas vaginalis conserved hypothetical protein 0.0065 0.0085 0.7984
Entamoeba histolytica serine/threonine kinase, putative 0.0029 0 0.5
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0029 0 0.5
Entamoeba histolytica hypothetical protein, conserved 0.0029 0 0.5
Mycobacterium ulcerans aldehyde dehydrogenase 0.0053 0.0058 0.3719
Trypanosoma cruzi malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.1552 0.3611 1
Entamoeba histolytica protein kinase domain containing protein 0.0029 0 0.5
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.007 0.0097 0.0268
Loa Loa (eye worm) MH2 domain-containing protein 0.0131 0.0242 0.0242
Echinococcus granulosus insulin receptor 0.273 0.6404 0.6404
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 0.0106 1
Trichomonas vaginalis D-aminoacylase, putative 0.0044 0.0035 0.3328
Echinococcus multilocularis geminin 0.0205 0.0417 0.0417
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0074 0.0106 0.0295
Schistosoma mansoni cgmp-dependent 35-cyclic phosphodiesterase 0.0033 0.0009 0.0009
Schistosoma mansoni lipoxygenase 0.0142 0.0269 0.0269
Entamoeba histolytica ankyrin repeat protein 0.0029 0 0.5
Echinococcus multilocularis isocitrate dehydrogenase 0.0051 0.0052 0.0052
Toxoplasma gondii ABC1 family protein 0.0044 0.0035 0.4168
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.005 0.0051 0.0051
Brugia malayi follicle stimulating hormone receptor 0.0288 0.0615 0.0615
Brugia malayi Isocitrate dehydrogenase 0.0051 0.0052 0.0052
Entamoeba histolytica protein kinase domain containing protein 0.0029 0 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.007 0.0097 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.007 0.0097 1
Entamoeba histolytica protein kinase domain containing protein 0.0029 0 0.5
Brugia malayi Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative 0.0033 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0249 0.0523 0.0523
Entamoeba histolytica protein kinase with ankyrin repeats, putative 0.0029 0 0.5
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 0.0106 1
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0051 0.0052 0.0143
Entamoeba histolytica tyrosine kinase, putative 0.0029 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0115 0.0206 0.0206
Entamoeba histolytica protein tyrosine kinase domain-containing protein 0.0029 0 0.5
Echinococcus granulosus epidermal growth factor receptor 0.4247 1 1
Loa Loa (eye worm) hypothetical protein 0.0108 0.0188 0.0188
Entamoeba histolytica serine/threonine kinase, putative 0.0029 0 0.5
Echinococcus granulosus beta LACTamase domain containing family member 0.0044 0.0035 0.0035
Entamoeba histolytica hypothetical protein 0.0029 0 0.5
Echinococcus multilocularis microtubule associated protein 2 0.0693 0.1575 0.1575
Entamoeba histolytica tyrosine kinase, putative 0.0029 0 0.5
Entamoeba histolytica tyrosine kinase, putative 0.0029 0 0.5
Entamoeba histolytica protein tyrosine kinase domain-containing protein 0.0029 0 0.5
Schistosoma mansoni hypothetical protein 0.0115 0.0206 0.0206
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 0.0106 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0051 0.0052 0.0052
Entamoeba histolytica tyrosin kinase, putative 0.0029 0 0.5
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.007 0.0097 0.0097
Brugia malayi isocitrate dehydrogenase 0.0051 0.0052 0.0052
Trichomonas vaginalis conserved hypothetical protein 0.0065 0.0085 0.7984
Loa Loa (eye worm) hypothetical protein 0.0044 0.0035 0.0035
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase 0.0074 0.0106 0.0106
Entamoeba histolytica tyrosine kinase, putative 0.0029 0 0.5
Entamoeba histolytica tyrosine kinase, putative 0.0029 0 0.5
Echinococcus multilocularis epidermal growth factor receptor 0.2971 0.6975 0.6975
Entamoeba histolytica protein tyrosine kinase domain-containing protein 0.0029 0 0.5
Entamoeba histolytica protein kinase domain containing protein 0.0029 0 0.5
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0051 0.0052 0.0052
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0033 0.0009 0.0839
Entamoeba histolytica protein kinase domain containing protein 0.0029 0 0.5
Entamoeba histolytica protein kinase domain containing protein 0.0029 0 0.5
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 0.0106 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0288 0.0615 0.0615
Entamoeba histolytica protein kinase domain containing protein 0.0029 0 0.5
Entamoeba histolytica receptor protein kinase, putative 0.0029 0 0.5
Schistosoma mansoni microtubule-associated protein tau 0.0693 0.1575 0.1575
Entamoeba histolytica protein kinase, putative 0.0029 0 0.5
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0051 0.0052 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0033 0.0009 0.0839
Schistosoma mansoni survival motor neuron protein 0.005 0.0051 0.0051
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0035 0.0098
Entamoeba histolytica hypothetical protein 0.0029 0 0.5
Entamoeba histolytica tyrosine kinase, putative 0.0029 0 0.5
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.005 0.0051 0.4774
Schistosoma mansoni aldehyde dehydrogenase 0.0053 0.0058 0.0058
Trichomonas vaginalis penicillin-binding protein, putative 0.0044 0.0035 0.3328
Toxoplasma gondii isocitrate dehydrogenase 0.0051 0.0052 0.6091
Entamoeba histolytica hypothetical protein 0.0029 0 0.5
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0051 0.0052 1
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0074 0.0106 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0044 0.0035 0.0035
Entamoeba histolytica protein tyrosine kinase domain-containing protein 0.0029 0 0.5
Schistosoma mansoni hypothetical protein 0.0115 0.0206 0.0206
Echinococcus multilocularis tumor protein p63 0.0339 0.0736 0.0736
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0365 0.0797 0.0797
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0044 0.0035 0.0035
Trichomonas vaginalis conserved hypothetical protein 0.0065 0.0085 0.7984
Echinococcus multilocularis epidermal growth factor receptor 0.4247 1 1
Entamoeba histolytica protein kinase, putative 0.0029 0 0.5
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0074 0.0106 1
Echinococcus multilocularis survival motor neuron protein 1 0.0247 0.0516 0.0516
Entamoeba histolytica hypothetical protein 0.0029 0 0.5
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0051 0.0052 0.0052
Schistosoma mansoni tyrosine kinase 0.4247 1 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0053 0.0058 0.3719
Schistosoma mansoni hypothetical protein 0.0115 0.0206 0.0206
Entamoeba histolytica tyrosine kinase, putative 0.0029 0 0.5
Mycobacterium leprae Probable lipase LipE 0.0044 0.0035 0.5
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0142 0.0269 0.0269
Brugia malayi beta-lactamase family protein 0.0044 0.0035 0.0035
Entamoeba histolytica protein tyrosine kinase domain-containing protein 0.0029 0 0.5
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0053 0.0058 0.0058
Toxoplasma gondii hypothetical protein 0.0065 0.0085 1
Entamoeba histolytica protein kinase domain containing protein 0.0029 0 0.5
Loa Loa (eye worm) TK/INSR protein kinase 0.273 0.6404 0.6404
Giardia lamblia Kinase, NEK 0.0029 0 0.5
Entamoeba histolytica protein tyrosine kinase domain-containing protein 0.0029 0 0.5
Entamoeba histolytica protein tyrosine kinase domain-containing protein 0.0029 0 0.5
Brugia malayi Protein kinase domain containing protein 0.0916 0.2102 0.2102
Entamoeba histolytica protein kinase, putative 0.0029 0 0.5
Schistosoma mansoni hypothetical protein 0.0115 0.0206 0.0206
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0074 0.0106 1
Brugia malayi Protein kinase domain containing protein 0.273 0.6404 0.6404
Trichomonas vaginalis conserved hypothetical protein 0.0074 0.0106 1
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.273 0.6404 0.6404
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0044 0.0035 0.0035
Brugia malayi beta-lactamase family protein 0.0044 0.0035 0.0035
Entamoeba histolytica cysteine surface protein, putative 0.0029 0 0.5
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0074 0.0106 0.0295
Entamoeba histolytica tyrosine kinase, putative 0.0029 0 0.5
Toxoplasma gondii aldehyde dehydrogenase 0.0053 0.0058 0.6858
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0074 0.0106 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0074 0.0106 1
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 0.0106 1
Schistosoma mansoni tyrosine kinase 0.2971 0.6975 0.6975
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0074 0.0106 0.0295
Onchocerca volvulus 0.0044 0.0035 0.1215
Echinococcus granulosus cAMP and cAMP inhibited cGMP 3'5' cyclic 0.0033 0.0009 0.0009
Onchocerca volvulus 0.005 0.0051 0.1751
Trichomonas vaginalis penicillin-binding protein, putative 0.0044 0.0035 0.3328
Entamoeba histolytica protein kinase, putative 0.0029 0 0.5
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 0.0106 1
Entamoeba histolytica hypothetical protein 0.0029 0 0.5
Entamoeba histolytica hypothetical protein 0.0029 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0044 0.0035 0.0035
Mycobacterium leprae conserved hypothetical protein 0.0044 0.0035 0.5
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 0.0106 1
Entamoeba histolytica tyrosine kinase, putative 0.0029 0 0.5
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0074 0.0106 1
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0074 0.0106 1
Entamoeba histolytica protein kinase domain containing protein 0.0029 0 0.5
Schistosoma mansoni tyrosine kinase 0.273 0.6404 0.6404
Onchocerca volvulus 0.005 0.005 0.17
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.007 0.0097 0.1101
Brugia malayi Calcitonin receptor-like protein seb-1 0.0365 0.0797 0.0797
Brugia malayi MH2 domain containing protein 0.0131 0.0242 0.0242
Loa Loa (eye worm) cytochrome P450 family protein 0.0063 0.0081 0.0081
Entamoeba histolytica protein kinase, putative 0.0029 0 0.5
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 0.0106 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0115 0.0206 0.0206
Echinococcus granulosus epidermal growth factor receptor 0.2971 0.6975 0.6975
Entamoeba histolytica protein kinase domain containing protein 0.0029 0 0.5
Entamoeba histolytica protein kinase, putative 0.0029 0 0.5
Brugia malayi putative malonyl-CoA decarboxylase 0.395 0.9296 0.9296
Echinococcus multilocularis cAMP and cAMP inhibited cGMP 3',5' cyclic 0.0033 0.0009 0.0009
Schistosoma mansoni hypothetical protein 0.0205 0.0417 0.0417
Schistosoma mansoni tyrosine kinase 0.2942 0.6906 0.6906
Schistosoma mansoni hypothetical protein 0.005 0.0051 0.0051
Loa Loa (eye worm) hypothetical protein 0.0044 0.0035 0.0035
Loa Loa (eye worm) hypothetical protein 0.0152 0.0292 0.0292
Loa Loa (eye worm) isocitrate dehydrogenase 0.0051 0.0052 0.0052
Entamoeba histolytica protein kinase, putative 0.0029 0 0.5
Echinococcus granulosus microtubule associated protein 2 0.0693 0.1575 0.1575
Schistosoma mansoni cellular tumor antigen P53 0.005 0.005 0.005
Entamoeba histolytica ankyrin repeat protein 0.0029 0 0.5
Entamoeba histolytica protein kinase domain containing protein 0.0029 0 0.5
Loa Loa (eye worm) latrophilin receptor protein 2 0.0115 0.0206 0.0206
Entamoeba histolytica tyrosine kinase, putative 0.0029 0 0.5
Toxoplasma gondii isocitrate dehydrogenase 0.0051 0.0052 0.6091
Trypanosoma brucei hypothetical protein, conserved 0.0044 0.0035 0.0098
Entamoeba histolytica protein kinase, putative 0.0029 0 0.5
Loa Loa (eye worm) helix-loop-helix DNA-binding domain-containing protein 0.0108 0.0188 0.0188
Echinococcus multilocularis 0.1815 0.4235 0.4235
Entamoeba histolytica protein kinase, putative 0.0029 0 0.5
Entamoeba histolytica protein tyrosine kinase domain-containing protein 0.0029 0 0.5
Entamoeba histolytica protein kinase domain containing protein 0.0029 0 0.5
Entamoeba histolytica protein kinase, putative 0.0029 0 0.5
Wolbachia endosymbiont of Brugia malayi malonyl-CoA decarboxylase 0.395 0.9296 0.5
Loa Loa (eye worm) beta-lactamase 0.0044 0.0035 0.0035
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0065 0.0086 0.0086
Leishmania major hypothetical protein, conserved 0.0044 0.0035 0.0098
Entamoeba histolytica tyrosine kinase, putative 0.0029 0 0.5
Entamoeba histolytica protein kinase domain containing protein 0.0029 0 0.5
Echinococcus multilocularis GPCR, family 2 0.0115 0.0206 0.0206
Plasmodium vivax hypothetical protein, conserved 0.0044 0.0035 0.6843
Echinococcus granulosus survival motor neuron protein 1 0.0247 0.0516 0.0516
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0074 0.0106 1
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0051 0.0052 0.0143
Schistosoma mansoni hypothetical protein 0.0249 0.0523 0.0523
Onchocerca volvulus 0.0044 0.0035 0.1215
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0142 0.0269 0.0269
Trypanosoma brucei malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.1552 0.3611 1
Entamoeba histolytica protein kinase domain containing protein 0.0029 0 0.5
Entamoeba histolytica leucine-rich repeat domain-containing protein 0.0029 0 0.5
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0074 0.0106 1
Entamoeba histolytica tyrosin kinase, putative 0.0029 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0044 0.0035 0.0035
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0279 0.0594 1
Loa Loa (eye worm) hypothetical protein 0.0887 0.2034 0.2034
Entamoeba histolytica tyrosine- protein kinase 2, putative 0.0029 0 0.5
Schistosoma mansoni lipoxygenase 0.01 0.0168 0.0168
Entamoeba histolytica protein kinase, putative 0.0029 0 0.5
Entamoeba histolytica protein kinase domain containing protein 0.0029 0 0.5
Brugia malayi Latrophilin receptor protein 2 0.0115 0.0206 0.0206
Trichomonas vaginalis esterase, putative 0.0044 0.0035 0.3328
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0051 0.0052 0.0143
Entamoeba histolytica tyrosine kinase, putative 0.0029 0 0.5
Trypanosoma cruzi malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.1552 0.3611 1
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.0074 0.0106 1
Brugia malayi hypothetical protein 0.0247 0.0516 0.0516
Onchocerca volvulus 0.0152 0.0292 1
Echinococcus granulosus insulin growth factor 1 receptor beta 0.273 0.6404 0.6404
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.005 0.0051 0.4774
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 0.0106 1
Onchocerca volvulus 0.0044 0.0035 0.1215
Leishmania major malonyl-coa decarboxylase-like protein 0.1552 0.3611 1
Schistosoma mansoni tyrosine kinase 0.2971 0.6975 0.6975
Entamoeba histolytica tyrosine kinase, putative 0.0029 0 0.5
Entamoeba histolytica hypothetical protein 0.0029 0 0.5
Entamoeba histolytica protein kinase domain containing protein 0.0029 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0365 0.0797 0.0797
Entamoeba histolytica serine/threonine kinase, putative 0.0029 0 0.5
Entamoeba histolytica protein kinase, putative 0.0029 0 0.5
Entamoeba histolytica serine/threonine kinase, putative 0.0029 0 0.5
Echinococcus multilocularis transcription factor eb 0.0108 0.0189 0.0189
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0051 0.0052 0.0052
Schistosoma mansoni tyrosine kinase 0.273 0.6404 0.6404
Entamoeba histolytica protein tyrosine kinase domain-containing protein 0.0029 0 0.5
Schistosoma mansoni hypothetical protein 0.0205 0.0417 0.0417
Echinococcus granulosus GPCR family 2 0.0115 0.0206 0.0206
Echinococcus granulosus neuropeptide s receptor 0.0875 0.2006 0.2006
Giardia lamblia Kinase 0.0029 0 0.5
Schistosoma mansoni tyrosine kinase 0.2942 0.6906 0.6906
Entamoeba histolytica protein kinase, putative 0.0029 0 0.5
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0033 0.0009 0.0009
Entamoeba histolytica protein kinase domain containing protein 0.0029 0 0.5
Brugia malayi beta-lactamase 0.0044 0.0035 0.0035
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0051 0.0052 0.0143
Echinococcus multilocularis neuropeptide receptor A26 0.0875 0.2006 0.2006
Loa Loa (eye worm) hypothetical protein 0.395 0.9296 0.9296
Entamoeba histolytica protein kinase domain containing protein 0.0029 0 0.5
Giardia lamblia Kinase, NEK 0.0029 0 0.5
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0051 0.0052 0.0293
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0053 0.0058 0.0409
Entamoeba histolytica protein kinase, putative 0.0029 0 0.5
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0074 0.0106 0.0295
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 0.0106 1
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 0.0106 1
Loa Loa (eye worm) TK/EGFR protein kinase 0.4247 1 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0115 0.0206 0.0206
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0115 0.0206 0.0206
Loa Loa (eye worm) transcription factor SMAD2 0.0131 0.0242 0.0242
Entamoeba histolytica protein kinase, putative 0.0029 0 0.5
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.2971 0.6975 0.6975
Entamoeba histolytica tyrosine kinase, putative 0.0029 0 0.5
Schistosoma mansoni aldehyde dehydrogenase 0.0053 0.0058 0.0058
Trichomonas vaginalis D-aminoacylase, putative 0.0044 0.0035 0.3328
Entamoeba histolytica protein kinase, putative 0.0029 0 0.5
Schistosoma mansoni tyrosine kinase 0.2942 0.6906 0.6906
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.007 0.0097 0.0097
Echinococcus granulosus dual 3'5' cyclic AMP and GMP phosphodiesterase 0.0074 0.0106 0.0106
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 0.0106 1
Entamoeba histolytica hypothetical protein 0.0029 0 0.5
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0051 0.0052 0.0052
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0074 0.0106 0.0295

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) 0 Activity on ERalpha-mediated transcription of ERE-luciferase reporter gene in human Huh7 cells ChEMBL. 17149865
Activity (functional) 0 Activity on ERbeta-mediated transcription of ERE-luciferase reporter gene in human Huh7 cells ChEMBL. 17149865
Activity (binding) = 56.5 % Inhibition of mPGES-1 in microsomes of IL1-beta induced human A549 cells assessed as PGE2 formation by measuring enzyme residual activity at 10 uM preincubated for 15 mins followed by addition of PGH2 as substrate measured after 1 min by RP-HPLC method relative to control ChEMBL. 26918635
Activity (binding) = 66.7 % Inhibition of recombinant human 5-LO expressed in Escherichia coli MV1190 cells assessed as residual activity preincubated for 10 mins followed by addition of arachidonic acid as substrate measured after 10 mins by RP-HPLC method relative to control ChEMBL. 26918635
Activity (binding) = 87.5 % Inhibition of 5-LO in human polymorphonuclear leukocytes assessed as residual activity at 10 uM preincubated for 10 mins followed by addition of arachidonic acid as substrate measured after 10 mins by HPLC method relative to control ChEMBL. 26918635
IC50 (binding) = 57 nM Displacement of [3H]E2 from human recombinant ERalpha LBD by SPA ChEMBL. 17149865
IC50 (binding) = 68 nM Displacement of [3H]E2 from human recombinant ERbeta LBD by SPA ChEMBL. 17149865
IC50 (binding) = 3.1 uM Inhibition of ABCG2 expressed in human NCI-H460 cells assessed as inhibition of PhA accumulation after 2 to 20 hrs relative to fumitremorgin C ChEMBL. 21275386
IC50 (binding) > 10 uM Inhibition of recombinant human 5-LO expressed in Escherichia coli MV1190 cells preincubated for 10 mins followed by addition of arachidonic acid as substrate measured after 10 mins by RP-HPLC method ChEMBL. 26918635
IC50 (binding) > 10 uM Inhibition of 5-LO in human polymorphonuclear leukocytes preincubated for 10 mins followed by addition of arachidonic acid as substrate measured after 10 mins by HPLC method ChEMBL. 26918635
Ratio IC50 (binding) = 0.8 Selectivity for recombinant human ERbeta over ERalpha ChEMBL. 17149865

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

3 literature references were collected for this gene.

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