Detailed information for compound 1350619

Basic information

Technical information
  • TDR Targets ID: 1350619
  • Name: 8-[3-diethylamino-1-(4-dimethylaminophenyl)pr opyl]-5,7-dimethoxy-4-pentylchromen-2-one
  • MW: 508.692 | Formula: C31H44N2O4
  • H donors: 0 H acceptors: 1 LogP: 6.79 Rotable bonds: 14
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCCCCc1cc(=O)oc2c1c(OC)cc(c2C(c1ccc(cc1)N(C)C)CCN(CC)CC)OC
  • InChi: 1S/C31H44N2O4/c1-8-11-12-13-23-20-28(34)37-31-29(23)26(35-6)21-27(36-7)30(31)25(18-19-33(9-2)10-3)22-14-16-24(17-15-22)32(4)5/h14-17,20-21,25H,8-13,18-19H2,1-7H3
  • InChiKey: HGDYBAMZXURDJP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 8-[3-diethylamino-1-(4-dimethylaminophenyl)propyl]-5,7-dimethoxy-4-pentyl-chromen-2-one
  • 8-[3-diethylamino-1-(4-dimethylaminophenyl)propyl]-5,7-dimethoxy-4-pentyl-2-chromenone
  • 4-amyl-8-[3-diethylamino-1-(4-dimethylaminophenyl)propyl]-5,7-dimethoxy-coumarin
  • MLS000879407
  • SMR000465602

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Equus caballus Ferritin light chain Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Homo sapiens tyrosyl-DNA phosphodiesterase 1 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens glucosidase, beta, acid Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative Get druggable targets OG5_129037 All targets in OG5_129037
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Onchocerca volvulus Glucosylceramidase homolog Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania infantum tyrosyl-DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania donovani tyrosyl-DNA phosphodiesterase-like protein Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus transcription factor Dp 1 Get druggable targets OG5_129037 All targets in OG5_129037
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis transcription factor Dp 1 Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania braziliensis tyrosyl-DNA phosphodiesterase, putative;with=GeneDB:LinJ33_V3.3210 Get druggable targets OG5_129037 All targets in OG5_129037
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni tyrosyl-DNA phosphodiesterase Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase Get druggable targets OG5_129037 All targets in OG5_129037
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Cryptosporidium parvum tyrosyl-DNA phodphodiesterase 1 (tdp1) Get druggable targets OG5_129037 All targets in OG5_129037
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania major tyrosyl-DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Brugia malayi O-Glycosyl hydrolase family 30 protein Get druggable targets OG5_129423 All targets in OG5_129423
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania mexicana tyrosyl-DNA phosphodiesterase-like protein Get druggable targets OG5_129037 All targets in OG5_129037
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein Get druggable targets OG5_129423 All targets in OG5_129423
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Schistosoma japonicum ko:K01113 phosphodiesterase/alkaline phosphatase D [EC3.1.4.1], putative Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.1232 0.5705
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0057 0.0218 0.0202
Loa Loa (eye worm) hypothetical protein 0.0041 0.0111 0.0111
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0111 0.0393
Echinococcus multilocularis TWiK family of potassium channels protein 7 0.0062 0.0256 0.024
Echinococcus granulosus histone lysine methyltransferase setb 0.0057 0.0218 0.0202
Schistosoma mansoni twik family of potassium channels-related 0.0062 0.0256 0.0256
Loa Loa (eye worm) hypothetical protein 0.0062 0.0256 0.0256
Loa Loa (eye worm) hypothetical protein 0.0062 0.0256 0.0256
Loa Loa (eye worm) hypothetical protein 0.0062 0.0256 0.0256
Loa Loa (eye worm) hypothetical protein 0.0062 0.0256 0.0256
Echinococcus multilocularis potassium channel subfamily K 8 0.0062 0.0256 0.024
Loa Loa (eye worm) hypothetical protein 0.0062 0.0256 0.0256
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 39A 0.0062 0.0256 0.114
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.0324 0.0308
Loa Loa (eye worm) hypothetical protein 0.0085 0.0415 0.0415
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.1968 1
Loa Loa (eye worm) large conductance calcium-activated potassium channel alpha subunit ai 0.0062 0.0256 0.0256
Schistosoma mansoni twik family of potassium channels-related 0.0062 0.0256 0.0256
Loa Loa (eye worm) potassium voltage-gated channel subfamily Q member 5 0.0062 0.0256 0.0256
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0242 0.1069
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 39B 0.0062 0.0256 0.114
Schistosoma mansoni hypothetical protein 0.0041 0.0111 0.0111
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.008 0.0376 0.0376
Schistosoma mansoni calcium-activated potassium channel 0.1483 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.1968 1
Plasmodium falciparum potassium channel 0.0062 0.0256 0.5
Loa Loa (eye worm) TWK-7 protein 0.0062 0.0256 0.0256
Loa Loa (eye worm) hypothetical protein 0.0062 0.0256 0.0256
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.0376 1
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 7 0.0062 0.0256 0.114
Loa Loa (eye worm) hypothetical protein 0.0062 0.0256 0.0256
Schistosoma mansoni calcium-activated potassium channel 0.0968 0.6471 0.6471
Loa Loa (eye worm) hypothetical protein 0.0062 0.0256 0.0256
Brugia malayi Bromodomain containing protein 0.0046 0.0146 0.0574
Loa Loa (eye worm) hypothetical protein 0.0046 0.0147 0.0147
Loa Loa (eye worm) hypothetical protein 0.0062 0.0256 0.0256
Brugia malayi Bromodomain containing protein 0.0091 0.045 0.2147
Loa Loa (eye worm) hypothetical protein 0.0062 0.0256 0.0256
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0127 0.0111
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0076 0.0076
Loa Loa (eye worm) uncoordinated protein 58 0.0062 0.0256 0.0256
Schistosoma mansoni twik family of potassium channels-related 0.0062 0.0256 0.0256
Echinococcus granulosus transcription factor Dp 1 0.0046 0.0146 0.013
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 24 0.0062 0.0256 0.114
Echinococcus granulosus Two pore potassium channel protein sup 9 0.0062 0.0256 0.024
Echinococcus granulosus potassium channel subfamily K 0.0062 0.0256 0.024
Schistosoma mansoni twik family of potassium channels-related 0.0062 0.0256 0.0256
Brugia malayi hypothetical protein 0.0062 0.0256 0.114
Loa Loa (eye worm) hypothetical protein 0.0062 0.0256 0.0256
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0312 0.1968 0.1968
Plasmodium vivax potassium channel, putative 0.0062 0.0256 1
Loa Loa (eye worm) hypothetical protein 0.0062 0.0256 0.0256
Schistosoma mansoni calcium-activated potassium channel 0.0062 0.0256 0.0256
Trichomonas vaginalis set domain proteins, putative 0.0286 0.1791 0.8966
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 5 0.0062 0.0256 0.114
Loa Loa (eye worm) hypothetical protein 0.0052 0.0182 0.0182
Loa Loa (eye worm) hypothetical protein 0.0062 0.0256 0.0256
Loa Loa (eye worm) hypothetical protein 0.0062 0.0256 0.0256
Loa Loa (eye worm) hypothetical protein 0.0062 0.0256 0.0256
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 13 0.0062 0.0256 0.114
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.1968 1
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0016 0.0016
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0076 0.0061
Loa Loa (eye worm) hypothetical protein 0.0062 0.0256 0.0256
Brugia malayi hypothetical protein 0.0062 0.0256 0.114
Loa Loa (eye worm) hypothetical protein 0.0062 0.0256 0.0256
Loa Loa (eye worm) hypothetical protein 0.0452 0.2932 0.2932
Loa Loa (eye worm) hypothetical protein 0.0062 0.0256 0.0256
Schistosoma mansoni bromodomain containing protein 0.0076 0.0353 0.0353
Loa Loa (eye worm) hypothetical protein 0.0062 0.0256 0.0256
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 19. C. elegans unc-58 ortholog 0.0062 0.0256 0.114
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 30. 0.0062 0.0256 0.114
Echinococcus multilocularis calcium activated potassium channel variant 0.0062 0.0256 0.024
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.008 0.0376 0.0361
Mycobacterium tuberculosis Possible transmembrane cation transporter 0.0062 0.0256 0.5
Plasmodium vivax potassium channel, putative 0.0062 0.0256 1
Loa Loa (eye worm) hypothetical protein 0.0062 0.0256 0.0256
Schistosoma mansoni hypothetical protein 0.1483 1 1
Schistosoma mansoni hypothetical protein 0.0062 0.0256 0.0256
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.1232 0.5705
Loa Loa (eye worm) hypothetical protein 0.0062 0.0256 0.0256
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.1968 1
Loa Loa (eye worm) hypothetical protein 0.0062 0.0256 0.0256
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.0376 1
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 45 0.0062 0.0256 0.114
Onchocerca volvulus 0.0062 0.0256 0.1046
Echinococcus multilocularis potassium channel subfamily K 0.0062 0.0256 0.024
Onchocerca volvulus 0.0062 0.0256 0.1046
Echinococcus multilocularis transcription factor Dp 1 0.0046 0.0146 0.013
Echinococcus granulosus potassium channel subfamily K 8 0.0062 0.0256 0.024
Loa Loa (eye worm) hypothetical protein 0.0062 0.0256 0.0256
Schistosoma mansoni twik family of potassium channels-related 0.0062 0.0256 0.0256
Schistosoma mansoni twik family of potassium channels-related 0.0062 0.0256 0.0256
Brugia malayi Pre-SET motif family protein 0.0251 0.1553 0.7852
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.008 0.0376 1
Schistosoma mansoni twik family of potassium channels-related 0.0062 0.0256 0.0256
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.008 0.0376 0.0376
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 28 0.0062 0.0256 0.114
Onchocerca volvulus 0.0062 0.0256 0.1046
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0076 0.0076
Onchocerca volvulus 0.0062 0.0256 0.1046
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.1968 1
Onchocerca volvulus 0.0286 0.1791 1
Loa Loa (eye worm) hypothetical protein 0.0062 0.0256 0.0256
Loa Loa (eye worm) hypothetical protein 0.0062 0.0256 0.0256
Loa Loa (eye worm) hypothetical protein 0.0062 0.0256 0.0256
Loa Loa (eye worm) hypothetical protein 0.006 0.0242 0.0242
Loa Loa (eye worm) TWK-28 protein 0.0062 0.0256 0.0256
Onchocerca volvulus Glucosylceramidase homolog 0.0205 0.1232 0.6743
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 35 0.0062 0.0256 0.114
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.0324 0.0308
Onchocerca volvulus 0.0062 0.0256 0.1046
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.1308 0.6146
Brugia malayi Pre-SET motif family protein 0.0036 0.0076 0.0212
Mycobacterium ulcerans transmembrane cation transporter 0.0062 0.0256 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0242 0.1069
Loa Loa (eye worm) hypothetical protein 0.0062 0.0256 0.0256
Loa Loa (eye worm) hypothetical protein 0.0062 0.0256 0.0256
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0242 0.0242
Echinococcus multilocularis twik family of potassium channels 0.0062 0.0256 0.024
Echinococcus multilocularis potassium channel subfamily K 8 0.0062 0.0256 0.024
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.1232 0.5705
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.1232 0.5705
Echinococcus multilocularis twik family of potassium channels 0.0062 0.0256 0.024
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.0376 1
Echinococcus granulosus twik family of potassium channels 0.0062 0.0256 0.024
Echinococcus multilocularis Two pore potassium channel protein sup 9 0.0062 0.0256 0.024
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0057 0.0218 0.0218
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0312 0.1968 1
Toxoplasma gondii ion channel protein 0.0062 0.0256 1
Mycobacterium ulcerans ion transport protein 0.0062 0.0256 0.5
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0127 0.0111
Loa Loa (eye worm) hypothetical protein 0.0062 0.0256 0.0256
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.008 0.0376 0.0361
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.1232 0.5705
Onchocerca volvulus 0.0062 0.0256 0.1046
Loa Loa (eye worm) hypothetical protein 0.0329 0.2084 0.2084
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.008 0.0376 0.1761
Loa Loa (eye worm) hypothetical protein 0.0057 0.0218 0.0218
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0067 0.0052
Echinococcus granulosus TWiK family of potassium channels protein 7 0.0062 0.0256 0.024
Brugia malayi Twik (KCNK-like) family of potasium channels, alpha subunit 40 0.0062 0.0256 0.114
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.1232 0.5705
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 32 0.0062 0.0256 0.114
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.1308 0.6146
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 12 0.0062 0.0256 0.114
Onchocerca volvulus 0.0062 0.0256 0.1046
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 21 0.0062 0.0256 0.114
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.1553 0.1553
Loa Loa (eye worm) hypothetical protein 0.0062 0.0256 0.0256
Echinococcus granulosus potassium channel subfamily K 8 0.0062 0.0256 0.024
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0057 0.0218 0.0218
Loa Loa (eye worm) hypothetical protein 0.0062 0.0256 0.0256
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 38. C. elegans sup-9 ortholog 0.0062 0.0256 0.114
Loa Loa (eye worm) hypothetical protein 0.0062 0.0256 0.0256
Schistosoma mansoni calcium-activated potassium channel 0.0062 0.0256 0.0256
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.1232 0.5705
Echinococcus granulosus twik family of potassium channels 0.0062 0.0256 0.024
Schistosoma mansoni twik family of potassium channels-related 0.0062 0.0256 0.0256
Toxoplasma gondii ion channel protein 0.0062 0.0256 1
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.008 0.0376 1
Loa Loa (eye worm) hypothetical protein 0.1483 1 1
Loa Loa (eye worm) hypothetical protein 0.064 0.4216 0.4216
Loa Loa (eye worm) S-phase kinase-associated protein 1A 0.0062 0.0256 0.0256
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.1968 1
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 17 0.0062 0.0256 0.114
Giardia lamblia Hypothetical protein 0.0062 0.0256 0.5
Echinococcus granulosus calcium activated potassium channel variant 0.0062 0.0256 0.024
Plasmodium falciparum potassium channel 0.0062 0.0256 0.5
Onchocerca volvulus 0.0062 0.0256 0.1046
Loa Loa (eye worm) hypothetical protein 0.0049 0.0166 0.0166
Echinococcus multilocularis small conductance calcium activated potassium 0.1483 1 1
Loa Loa (eye worm) hypothetical protein 0.0062 0.0256 0.0256

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 9.169 uM PUBCHEM_BIOASSAY: Discovery of Small Molecule Probes for H1N1 Influenza NS1A. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504399] ChEMBL. No reference
Potency (functional) 0.0026 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 5.6234 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (binding) = 7.0795 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 13.1154 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (binding) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 14.1254 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3564 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 35.4813 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay; Stimulation with EGF. (Class of assay: confirmatory) [Related pubchem assays: 995 ] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.