Detailed information for compound 517417

Basic information

Technical information
  • TDR Targets ID: 517417
  • Name: 4-methyl-1-oxo-N-pyridin-3-yl-2,3,4,5-tetrahy dro-[1,4]diazepino[1,2-a]indole-8-carboxamide
  • MW: 334.372 | Formula: C19H18N4O2
  • H donors: 2 H acceptors: 3 LogP: 1.88 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC1CNC(=O)c2n(C1)c1cc(ccc1c2)C(=O)Nc1cccnc1
  • InChi: 1S/C19H18N4O2/c1-12-9-21-19(25)17-7-13-4-5-14(8-16(13)23(17)11-12)18(24)22-15-3-2-6-20-10-15/h2-8,10,12H,9,11H2,1H3,(H,21,25)(H,22,24)
  • InChiKey: PPKZBHWXZJUOKQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-methyl-1-oxo-N-(3-pyridyl)-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-8-carboxamide
  • 1-keto-4-methyl-N-(3-pyridyl)-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-8-carboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ribosomal protein S6 kinase, 90kDa, polypeptide 3 Starlite/ChEMBL References
Homo sapiens mitogen-activated protein kinase-activated protein kinase 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi ribosomal protein S6 kinase alpha 3 Get druggable targets OG5_128147 All targets in OG5_128147
Echinococcus multilocularis MAP kinase activated protein kinase 2 Get druggable targets OG5_131483 All targets in OG5_131483
Echinococcus granulosus MAP kinase activated protein kinase 2 Get druggable targets OG5_131483 All targets in OG5_131483
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 Get druggable targets OG5_128147 All targets in OG5_128147
Schistosoma japonicum IPR000719,Protein kinase;IPR011009,Protein kinase-like,domain-containing Get druggable targets OG5_128147 All targets in OG5_128147
Schistosoma japonicum Ribosomal protein S6 kinase alpha-2, putative Get druggable targets OG5_128147 All targets in OG5_128147
Candida albicans Serine/threonine protein kinase Get druggable targets OG5_128147 All targets in OG5_128147
Candida albicans Serine/threonine protein kinase Get druggable targets OG5_128147 All targets in OG5_128147
Loa Loa (eye worm) camk/mapkapk/mapkapk protein kinase Get druggable targets OG5_131483 All targets in OG5_131483
Leishmania major rac serine-threonine kinase, putative,protein kinase, putative Get druggable targets OG5_128147 All targets in OG5_128147
Leishmania infantum rac serine-threonine kinase, putative,protein kinase, putative Get druggable targets OG5_128147 All targets in OG5_128147
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_131483 All targets in OG5_131483
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 Get druggable targets OG5_128147 All targets in OG5_128147
Brugia malayi map kinase activated protein kinase protein 2 Get druggable targets OG5_131483 All targets in OG5_131483
Leishmania donovani rac serine-threonine kinase, putative Get druggable targets OG5_128147 All targets in OG5_128147
Loa Loa (eye worm) AGC/RSK/RSK protein kinase Get druggable targets OG5_128147 All targets in OG5_128147
Giardia lamblia Kinase, AGC AKT Get druggable targets OG5_128147 All targets in OG5_128147
Schistosoma japonicum ko:K04443 mitogen-activated protein kinase-activated protein kinase 2, putative Get druggable targets OG5_131483 All targets in OG5_131483
Schistosoma japonicum IPR000719,Protein kinase,domain-containing Get druggable targets OG5_128147 All targets in OG5_128147
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_128147 All targets in OG5_128147
Leishmania braziliensis rac serine-threonine kinase, putative,protein kinase, putative Get druggable targets OG5_128147 All targets in OG5_128147
Leishmania mexicana rac serine-threonine kinase, putative,protein kinase, putative Get druggable targets OG5_128147 All targets in OG5_128147
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase-activated protein kinase 2 370 aa 303 aa 26.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus 0.0678 0.7039 1
Brugia malayi protein kinase C II. 0.0035 0.0242 0.03
Echinococcus granulosus histone acetyltransferase KAT2B 0.0154 0.1494 0.192
Trypanosoma cruzi DNA polymerase kappa, putative 0.0045 0.0345 0.0332
Brugia malayi ImpB/MucB/SamB family protein 0.0016 0.0039 0.0033
Schistosoma mansoni serine/threonine protein kinase 0.0035 0.0242 0.0268
Schistosoma mansoni alpha-glucosidase 0.0152 0.1478 0.1899
Loa Loa (eye worm) hypothetical protein 0.0019 0.0074 0.0078
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0123 0.1168 0.149
Trichomonas vaginalis set domain proteins, putative 0.0257 0.2584 0.7857
Echinococcus multilocularis lysosomal alpha glucosidase 0.0177 0.1738 0.2242
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0082 0.0735 0.0918
Loa Loa (eye worm) FolC protein 0.0214 0.2138 0.2794
Brugia malayi Glycosyl hydrolases family 31 protein 0.0177 0.1738 0.2267
Echinococcus granulosus Polycystic kidney disease protein 0.0019 0.0074 0.0046
Echinococcus granulosus carbonic anhydrase 0.0028 0.0168 0.017
Trypanosoma brucei glycosyl hydrolase-like protein 0.0015 0.0026 0.0013
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0028 0.0168 0.0202
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0015 0.0026 0.0013
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0032 0.0214 0.0231
Toxoplasma gondii hypothetical protein 0.0028 0.0168 0.0168
Toxoplasma gondii bifunctional protein FolC subfamily protein 0.0214 0.2138 0.2138
Brugia malayi dihydrofolate reductase family protein 0.0733 0.7616 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0345 0.0332
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0345 0.0332
Brugia malayi Pre-SET motif family protein 0.0032 0.0214 0.0263
Loa Loa (eye worm) hypothetical protein 0.0015 0.0026 0.0017
Onchocerca volvulus Putative folylpolyglutamate synthase 0.0214 0.2138 0.3011
Trypanosoma cruzi DNA polymerase eta, putative 0.0016 0.0039 0.0025
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0237 0.2376 0.3107
Loa Loa (eye worm) hypothetical protein 0.0035 0.0242 0.03
Schistosoma mansoni alpha-glucosidase 0.0152 0.1478 0.1899
Plasmodium falciparum histone acetyltransferase GCN5 0.0043 0.0322 0.025
Loa Loa (eye worm) hypothetical protein 0.0016 0.0039 0.0033
Loa Loa (eye worm) AGC/AKT protein kinase 0.0035 0.0242 0.03
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0214 0.0231
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.0214 0.0231
Trypanosoma brucei DNA polymerase IV, putative 0.0045 0.0345 0.0332
Loa Loa (eye worm) hypothetical protein 0.0028 0.0168 0.0202
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0959 1 1
Schistosoma mansoni polycystin 1-related 0.0019 0.0074 0.0046
Leishmania major glycosyl hydrolase-like protein 0.0015 0.0026 0.0013
Entamoeba histolytica acetyltransferase, GNAT family 0.0043 0.0322 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0214 0.0263
Leishmania major folylpolyglutamate synthetase 0.0214 0.2138 0.2127
Loa Loa (eye worm) hypothetical protein 0.0019 0.0074 0.0078
Trypanosoma brucei DNA polymerase kappa, putative 0.0018 0.0063 0.0049
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0226 0.2255 0.2948
Echinococcus granulosus carbonic anhydrase II 0.0123 0.1168 0.149
Trypanosoma brucei DNA polymerase IV, putative 0.0038 0.0269 0.0256
Onchocerca volvulus 0.0032 0.0214 0.0268
Echinococcus multilocularis serine:threonine protein kinase N2 0.0035 0.0242 0.0268
Schistosoma mansoni carbonic anhydrase-related 0.0028 0.0168 0.017
Trypanosoma brucei DNA polymerase eta, putative 0.0016 0.0039 0.0025
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0039 0.0286 0.0798
Echinococcus granulosus serine:threonine protein kinase N2 0.0035 0.0242 0.0268
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0035 0.0242 0.0268
Trypanosoma cruzi DNA polymerase kappa, putative 0.0045 0.0345 0.0332
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0678 0.7039 0.9238
Treponema pallidum folylpolyglutamate synthetase (folC) 0.0214 0.2138 0.5
Brugia malayi Protein kinase domain containing protein 0.0035 0.0242 0.03
Entamoeba histolytica protein kinase, putative 0.0035 0.0242 0.7281
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0032 0.0214 0.0214
Onchocerca volvulus 0.0054 0.0442 0.0592
Echinococcus granulosus protein kinase c iota type 0.0035 0.0242 0.0268
Toxoplasma gondii AGC kinase 0.0035 0.0242 0.0242
Trichomonas vaginalis maltase-glucoamylase, putative 0.0039 0.0286 0.0798
Loa Loa (eye worm) camk/mapkapk/mapkapk protein kinase 0.0218 0.2177 0.2846
Entamoeba histolytica deoxycytidyl transferase, putative 0.0016 0.0039 0.0422
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0323 0.3282 0.3272
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0028 0.0168 0.0202
Echinococcus granulosus NDR protein kinase 0.0035 0.0242 0.0268
Trypanosoma brucei folylpolyglutamate synthase, putative 0.0214 0.2138 0.2127
Onchocerca volvulus 0.0019 0.0074 0.0067
Echinococcus multilocularis carbonic anhydrase II 0.0123 0.1168 0.149
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0039 0.0286 0.8785
Schistosoma mansoni hypothetical protein 0.0066 0.0573 0.0705
Brugia malayi thymidylate synthase 0.0678 0.7039 0.924
Echinococcus granulosus carbonic anhydrase 0.0028 0.0168 0.017
Schistosoma mansoni serine/threonine kinase 0.0035 0.0242 0.0268
Loa Loa (eye worm) AGC/NDR protein kinase 0.0035 0.0242 0.03
Brugia malayi acetyltransferase, GNAT family protein 0.0158 0.1541 0.2008
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0733 0.7616 1
Trichomonas vaginalis AGC family protein kinase 0.0035 0.0242 0.0661
Trichomonas vaginalis alpha-glucosidase, putative 0.0039 0.0286 0.0798
Brugia malayi Protein kinase domain containing protein 0.0035 0.0242 0.03
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0158 0.1541 0.1982
Trichomonas vaginalis AGC family protein kinase 0.0035 0.0242 0.0661
Onchocerca volvulus 0.0257 0.2584 0.3647
Loa Loa (eye worm) acetyltransferase 0.0158 0.1541 0.2008
Echinococcus granulosus thymidylate synthase 0.0678 0.7039 0.9238
Trichomonas vaginalis AGC family protein kinase 0.0035 0.0242 0.0661
Schistosoma mansoni lipoxygenase 0.008 0.0714 0.0891
Brugia malayi hypothetical protein 0.0019 0.0074 0.0078
Echinococcus multilocularis folylpolyglutamate synthase, mitochondrial 0.0214 0.2138 0.277
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0032 0.0214 0.0231
Echinococcus granulosus carbonic anhydrase 0.0028 0.0168 0.017
Echinococcus multilocularis Polycystic kidney disease protein 0.0019 0.0074 0.0046
Plasmodium vivax dihydrofolate synthase/folylpolyglutamate synthase, putative 0.0214 0.2138 0.208
Trypanosoma brucei DNA polymerase kappa, putative 0.0034 0.023 0.0217
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0345 0.0332
Trypanosoma brucei DNA polymerase kappa, putative 0.0018 0.0063 0.0049
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0123 0.1168 0.1156
Trypanosoma brucei carbonic anhydrase-like protein 0.0123 0.1168 0.1156
Schistosoma mansoni rab6-interacting 0.0019 0.0074 0.0046
Giardia lamblia Kinase, AGC AKT 0.0203 0.202 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0039 0.0286 0.0798
Trichomonas vaginalis conserved hypothetical protein 0.0323 0.3282 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0115 0.0101
Loa Loa (eye worm) hypothetical protein 0.0079 0.0711 0.0917
Brugia malayi hypothetical protein 0.0019 0.0074 0.0078
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0035 0.0242 0.03
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0082 0.0735 0.0918
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0035 0.0242 0.03
Trypanosoma cruzi folylpolyglutamate synthetase 0.0214 0.2138 0.2127
Echinococcus granulosus folylpolyglutamate synthase mitochondrial 0.0214 0.2138 0.277
Leishmania major DNA polymerase kappa, putative 0.0023 0.0115 0.0101
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0046 0.0363 0.0292
Trichomonas vaginalis alpha-glucosidase, putative 0.0039 0.0286 0.0798
Trypanosoma brucei DNA polymerase kappa, putative 0.0034 0.023 0.0217
Schistosoma mansoni hypothetical protein 0.0019 0.0074 0.0046
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0733 0.7616 1
Loa Loa (eye worm) dihydrofolate reductase 0.0733 0.7616 1
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.0115 0.0101
Trichomonas vaginalis alpha-glucosidase, putative 0.0039 0.0286 0.0798
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0035 0.0242 0.0268
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0028 0.0168 0.0202
Echinococcus multilocularis lipoxygenase domain containing protein 0.0019 0.0074 0.0046
Leishmania major DNA polymerase eta, putative 0.0016 0.0039 0.0025
Schistosoma mansoni carbonic anhydrase-related 0.0028 0.0168 0.017
Echinococcus multilocularis carbonic anhydrase 0.0028 0.0168 0.017
Leishmania major alpha glucosidase II subunit, putative 0.0039 0.0286 0.0273
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0039 0.0286 0.0358
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0114 0.1076 0.1369
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0016 0.0039 0.0033
Echinococcus multilocularis MAP kinase activated protein kinase 2 0.0218 0.2177 0.2822
Trichomonas vaginalis DNA polymerase eta, putative 0.0045 0.0345 0.0979
Brugia malayi Pre-SET motif family protein 0.0226 0.2255 0.2948
Schistosoma mansoni serine/threonine protein kinase 0.0035 0.0242 0.0268
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0031 0.0202 0.0215
Loa Loa (eye worm) carbonic anhydrase 3 0.0123 0.1168 0.1518
Schistosoma mansoni serine/threonine protein kinase 0.0035 0.0242 0.0268
Echinococcus granulosus lipoxygenase domain containing protein 0.0019 0.0074 0.0046
Echinococcus multilocularis carbonic anhydrase 0.0028 0.0168 0.017
Plasmodium falciparum dihydrofolate synthase/folylpolyglutamate synthase 0.0214 0.2138 0.208
Loa Loa (eye worm) doublecortin family protein 0.0019 0.0074 0.0078
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0035 0.0242 0.03
Echinococcus multilocularis thymidylate synthase 0.0678 0.7039 0.9238
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0237 0.2376 0.3084
Mycobacterium tuberculosis Hypothetical protein 0.0323 0.3282 0.4279
Schistosoma mansoni serine/threonine protein kinase 0.0035 0.0242 0.0268
Echinococcus granulosus dihydrofolate reductase 0.0733 0.7616 1
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0123 0.1168 0.1518
Schistosoma mansoni hypothetical protein 0.0028 0.0168 0.017
Onchocerca volvulus 0.0064 0.0549 0.0746
Brugia malayi ribosomal protein S6 kinase alpha 3 0.0203 0.202 0.2639
Trypanosoma brucei unspecified product 0.0038 0.0269 0.0256
Trypanosoma cruzi folylpolyglutamate synthase, putative 0.0214 0.2138 0.2127
Echinococcus multilocularis lipoxygenase domain containing protein 0.0019 0.0074 0.0046
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0039 0.0286 0.0798
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0028 0.0168 0.0202
Trichomonas vaginalis bromodomain-containing protein, putative 0.0046 0.0363 0.1034
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0345 0.0332
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0046 0.0363 0.0363
Schistosoma mansoni alpha glucosidase 0.0039 0.0286 0.0326
Trichomonas vaginalis AGC family protein kinase 0.0035 0.0242 0.0661
Trypanosoma cruzi DNA polymerase kappa, putative 0.0045 0.0345 0.0332
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0733 0.7616 1
Brugia malayi polk-prov protein 0.0034 0.023 0.0284
Loa Loa (eye worm) hypothetical protein 0.0028 0.0168 0.0202
Echinococcus multilocularis serine:threonine protein kinase N2 0.0035 0.0242 0.0268
Trichomonas vaginalis AGC family protein kinase 0.0035 0.0242 0.0661
Brugia malayi p70 ribosomal S6 kinase beta 0.0035 0.0242 0.03
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0177 0.1738 0.2267
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0678 0.7039 0.9238
Trichomonas vaginalis AGC family protein kinase 0.0035 0.0242 0.0661
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0959 1 1
Trichomonas vaginalis AGC family protein kinase 0.0035 0.0242 0.0661
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0046 0.0363 0.0363
Entamoeba histolytica protein kinase, putative 0.0035 0.0242 0.7281
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0214 0.0231
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0214 0.0231
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0123 0.1168 0.1518
Echinococcus multilocularis folylpolyglutamate synthase, mitochondrial 0.0214 0.2138 0.277
Echinococcus granulosus RUN 0.0019 0.0074 0.0046
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0286 0.0273
Schistosoma mansoni loxhd1 0.0019 0.0074 0.0046
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0035 0.0242 0.03
Schistosoma mansoni carbonic anhydrase-related 0.0028 0.0168 0.017
Brugia malayi bZIP transcription factor family protein 0.0082 0.0735 0.0948
Brugia malayi hypothetical protein 0.0323 0.3282 0.4298
Echinococcus granulosus neutral alpha glucosidase AB 0.0039 0.0286 0.0326
Trypanosoma brucei DNA polymerase kappa, putative 0.0018 0.0063 0.0049
Schistosoma mansoni serine/threonine protein kinase 0.0035 0.0242 0.0268
Schistosoma mansoni carbonic anhydrase 0.0028 0.0168 0.017
Echinococcus multilocularis jun protein 0.0082 0.0735 0.0918
Brugia malayi Hr1 repeat family protein 0.0035 0.0242 0.03
Trypanosoma cruzi DNA polymerase kappa, putative 0.0045 0.0345 0.0332
Onchocerca volvulus 0.0102 0.0951 0.1319
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0035 0.0242 0.0268
Echinococcus granulosus dna polymerase kappa 0.0045 0.0345 0.0404
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0959 1 1
Onchocerca volvulus 0.0019 0.0074 0.0067
Chlamydia trachomatis dihydrofolate reductase 0.0733 0.7616 0.5
Brugia malayi Dihydrofolate reductase 0.0733 0.7616 1
Leishmania major carbonic anhydrase-like protein 0.0123 0.1168 0.1156
Mycobacterium tuberculosis Probable folylpolyglutamate synthase protein FolC (folylpoly-gamma-glutamate synthetase) (FPGS) 0.0214 0.2138 0.277
Mycobacterium ulcerans DNA polymerase IV 0.0045 0.0345 0.0436
Echinococcus granulosus folylpolyglutamate synthase, mitochondrial 0.0214 0.2138 0.277
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0015 0.0026 0.0013
Loa Loa (eye worm) hypothetical protein 0.0054 0.0442 0.0563
Trichomonas vaginalis sucrase-isomaltase, putative 0.0039 0.0286 0.0798
Echinococcus multilocularis protein kinase c iota type 0.0035 0.0242 0.0268
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0035 0.0242 0.0268
Echinococcus multilocularis serine:threonine protein kinase 38 0.0035 0.0242 0.0268
Schistosoma mansoni dihydrofolate reductase 0.0733 0.7616 1
Echinococcus multilocularis serine threonine protein kinase 0.0035 0.0242 0.0268
Brugia malayi Serotonin receptor 0.0451 0.4642 0.6087
Schistosoma mansoni lipoxygenase 0.0114 0.1076 0.1369
Schistosoma mansoni cellular tumor antigen P53 0.0054 0.0442 0.0531
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0959 1 1
Trichomonas vaginalis AGC family protein kinase 0.0035 0.0242 0.0661
Echinococcus multilocularis RUN 0.0019 0.0074 0.0046
Loa Loa (eye worm) thymidylate synthase 0.0678 0.7039 0.924
Brugia malayi Glycosyl hydrolases family 31 protein 0.0039 0.0286 0.0358
Schistosoma mansoni serine/threonine protein kinase 0.0035 0.0242 0.0268
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.0214 0.0231
Schistosoma mansoni atypical protein kinase C 0.0035 0.0242 0.0268
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0045 0.0345 0.0979
Echinococcus granulosus jun protein 0.0082 0.0735 0.0918
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0959 1 1
Trypanosoma brucei glucosidase, putative 0.0039 0.0286 0.0273
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0158 0.1541 0.1982
Loa Loa (eye worm) AGC/PKN protein kinase 0.0035 0.0242 0.03
Echinococcus granulosus protein kinase c epsilon type 0.0035 0.0242 0.0268
Plasmodium vivax SET domain protein, putative 0.0032 0.0214 0.0142
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0286 0.0273
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0237 0.2376 0.3084
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0345 0.0332
Brugia malayi Glycosyl hydrolases family 31 protein 0.0015 0.0026 0.0017
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0345 0.0332
Echinococcus multilocularis protein kinase c epsilon type 0.0035 0.0242 0.0268
Echinococcus multilocularis dihydrofolate reductase 0.0733 0.7616 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0039 0.0286 0.0798
Schistosoma mansoni serine/threonine protein kinase 0.0237 0.2376 0.3084
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0039 0.0286 0.0286
Leishmania major rac serine-threonine kinase, putative,protein kinase, putative 0.0203 0.202 0.2009
Mycobacterium ulcerans folylpolyglutamate synthase protein FolC 0.0214 0.2138 0.2794
Trichomonas vaginalis AGC family protein kinase 0.0035 0.0242 0.0661
Brugia malayi Doublecortin family protein 0.0019 0.0074 0.0078
Echinococcus multilocularis lysosomal alpha glucosidase 0.0177 0.1738 0.2242
Brugia malayi Protein kinase domain containing protein 0.0035 0.0242 0.03
Brugia malayi FolC bifunctional protein 0.0214 0.2138 0.2794
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0123 0.1168 0.149
Echinococcus granulosus MAP kinase activated protein kinase 2 0.0218 0.2177 0.2822
Echinococcus multilocularis dna polymerase kappa 0.0045 0.0345 0.0404
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0345 0.0332
Brugia malayi hypothetical protein 0.0064 0.0549 0.0704
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0678 0.7039 0.8946
Schistosoma mansoni folylpolyglutamate synthase 0.0214 0.2138 0.277
Brugia malayi ImpB/MucB/SamB family protein 0.0016 0.0039 0.0033
Schistosoma mansoni rab6-interacting 0.0019 0.0074 0.0046
Echinococcus multilocularis neutral alpha glucosidase AB 0.0039 0.0286 0.0326
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0035 0.0242 0.0268
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.0115 0.01
Echinococcus granulosus lipoxygenase domain containing protein 0.0019 0.0074 0.0046
Echinococcus multilocularis carbonic anhydrase 0.0028 0.0168 0.017
Trichomonas vaginalis serine/threonine-protein kinase sgk, putative 0.0034 0.0228 0.0619
Loa Loa (eye worm) hypothetical protein 0.0034 0.023 0.0284
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0123 0.1168 0.1518
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0046 0.0363 0.1034
Mycobacterium ulcerans DNA polymerase IV 0.0045 0.0345 0.0436
Echinococcus granulosus histone acetyltransferase KAT2B 0.0046 0.0363 0.0428
Entamoeba histolytica protein kinase, putative 0.0035 0.0242 0.7281
Schistosoma mansoni serine/threonine protein kinase 0.0218 0.2177 0.2822
Trypanosoma brucei rac serine-threonine kinase, putative 0.0035 0.0242 0.0228
Plasmodium falciparum carbonic anhydrase 0.0028 0.0168 0.0095
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0114 0.1076 0.1369
Entamoeba histolytica protein kinase, putative 0.0035 0.0242 0.7281
Trichomonas vaginalis AGC family protein kinase 0.0035 0.0242 0.0661
Mycobacterium ulcerans thymidylate synthase 0.0678 0.7039 0.924
Schistosoma mansoni jun-related protein 0.0066 0.0573 0.0705
Giardia lamblia Histone acetyltransferase GCN5 0.0043 0.0322 0.1088
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0123 0.1168 0.1156
Echinococcus granulosus protein kinase C gamma type 0.0035 0.0242 0.0268
Trypanosoma brucei DNA polymerase IV, putative 0.0045 0.0345 0.0332
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0039 0.0286 0.8785
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0028 0.0168 0.0202
Trichomonas vaginalis AGC family protein kinase 0.0035 0.0242 0.0661
Echinococcus multilocularis tumor protein p63 0.0368 0.3762 0.4914
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0345 0.0332
Echinococcus granulosus Protein kinase C brain isozyme 0.0035 0.0242 0.0268
Echinococcus granulosus lysosomal alpha glucosidase 0.0177 0.1738 0.2242
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0345 0.0332
Brugia malayi map kinase activated protein kinase protein 2 0.0218 0.2177 0.2846
Trichomonas vaginalis dihydrofolate synthase/folylpolyglutamate synthase, putative 0.0214 0.2138 0.6486
Echinococcus granulosus tumor protein p63 0.0368 0.3762 0.4914
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0028 0.0168 0.0202
Loa Loa (eye worm) hypothetical protein 0.0028 0.0168 0.0202

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 320 nM Inhibition of MK2 (unknown origin) by DELFIA assay ChEMBL. 18291646
IC50 (binding) = 320 nM Inhibition of MK2 (unknown origin) by DELFIA assay ChEMBL. 18291646
IC50 (binding) = 1200 nM Inhibition of RSK2 phosphorylation by luminescence assay ChEMBL. 22100312
IC50 (binding) = 4890 nM Inhibition of RSK2-mediated CREB phosphorylation in HeLa cells expressing luciferase reporter gene ChEMBL. 22100312

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

2 literature references were collected for this gene.

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