Detailed information for compound 972217

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 322.318 | Formula: C17H14N4O3
  • H donors: 3 H acceptors: 4 LogP: 1.09 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1C(=O)C(=C1NC(c1ccccc1)C(=O)N)Nc1ccncc1
  • InChi: 1S/C17H14N4O3/c18-17(24)12(10-4-2-1-3-5-10)21-14-13(15(22)16(14)23)20-11-6-8-19-9-7-11/h1-9,12,21H,(H2,18,24)(H,19,20)
  • InChiKey: SOUYYRXENUITFU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 9 Starlite/ChEMBL References
Homo sapiens ribosomal protein S6 kinase, 90kDa, polypeptide 1 Starlite/ChEMBL References
Homo sapiens cytochrome P450, family 2, subfamily D, polypeptide 6 Starlite/ChEMBL References
Homo sapiens cytochrome P450, family 3, subfamily A, polypeptide 4 Starlite/ChEMBL References
Homo sapiens mitogen-activated protein kinase-activated protein kinase 2 Starlite/ChEMBL References
Homo sapiens aurora kinase B Starlite/ChEMBL References
Homo sapiens mitogen-activated protein kinase 1 Starlite/ChEMBL References
Homo sapiens casein kinase 1, gamma 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus MAP kinase activated protein kinase 2 Get druggable targets OG5_131483 All targets in OG5_131483
Leishmania donovani Aurora I-related kinase Get druggable targets OG5_127024 All targets in OG5_127024
Toxoplasma gondii aurora kinase Get druggable targets OG5_127024 All targets in OG5_127024
Trypanosoma brucei mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) casein kinase Get druggable targets OG5_128520 All targets in OG5_128520
Trypanosoma cruzi mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum IPR000719,Protein kinase;IPR011009,Protein kinase-like,domain-containing Get druggable targets OG5_128147 All targets in OG5_128147
Candida albicans likely protein kinase similar to S. cerevisiae IPL1 (YPL209C) Aurora protein kinase involved in regulating kinetochore-microtubu Get druggable targets OG5_127024 All targets in OG5_127024
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 Get druggable targets OG5_128147 All targets in OG5_128147
Candida albicans similar to headcase protein Get druggable targets OG5_128520 All targets in OG5_128520
Brugia malayi serine/threonine protein kinase 6 Get druggable targets OG5_127024 All targets in OG5_127024
Loa Loa (eye worm) AUR protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Entamoeba histolytica serine/threonine protein kinase 6, putative Get druggable targets OG5_127024 All targets in OG5_127024
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Trypanosoma cruzi aurora B kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Candida albicans Serine/threonine protein kinase 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
Neospora caninum hypothetical protein Get druggable targets OG5_127024 All targets in OG5_127024
Leishmania major protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Leishmania infantum protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus casein kinase I gamma Get druggable targets OG5_128520 All targets in OG5_128520
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma congolense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania infantum rac serine-threonine kinase, putative,protein kinase, putative Get druggable targets OG5_128147 All targets in OG5_128147
Leishmania infantum mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440,map kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Loa Loa (eye worm) AUR protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Leishmania donovani cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania mexicana rac serine-threonine kinase, putative,protein kinase, putative Get druggable targets OG5_128147 All targets in OG5_128147
Candida albicans cytochrome P450 56 Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) camk/mapkapk/mapkapk protein kinase Get druggable targets OG5_131483 All targets in OG5_131483
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus multilocularis aurora kinase A Get druggable targets OG5_127024 All targets in OG5_127024
Echinococcus granulosus serine:threonine protein kinase 12 B Get druggable targets OG5_127024 All targets in OG5_127024
Trypanosoma brucei gambiense protein kinase, putative,tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans second casein kinase I-like orf Get druggable targets OG5_128520 All targets in OG5_128520
Candida albicans second casein kinase I-like orf Get druggable targets OG5_128520 All targets in OG5_128520
Plasmodium falciparum serine/threonine protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Leishmania braziliensis protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Trypanosoma congolense aurora B kinase Get druggable targets OG5_127024 All targets in OG5_127024
Schistosoma japonicum IPR000719,Protein kinase;IPR011009,Protein kinase-like,domain-containing Get druggable targets OG5_128520 All targets in OG5_128520
Candida albicans casein kinase I-like orf Get druggable targets OG5_128520 All targets in OG5_128520
Candida albicans closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma japonicum ko:K08850 aurora kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Schistosoma japonicum Serine/threonine-protein kinase 12, putative Get druggable targets OG5_127024 All targets in OG5_127024
Leishmania donovani rac serine-threonine kinase, putative Get druggable targets OG5_128147 All targets in OG5_128147
Trypanosoma brucei cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Plasmodium yoelii Protein kinase domain, putative Get druggable targets OG5_127024 All targets in OG5_127024
Schistosoma japonicum ko:K04443 mitogen-activated protein kinase-activated protein kinase 2, putative Get druggable targets OG5_131483 All targets in OG5_131483
Cryptosporidium parvum protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Trypanosoma brucei gambiense mitogen-activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Giardia lamblia Kinase, CMGC MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi serine/threonine kinase 12 Get druggable targets OG5_127024 All targets in OG5_127024
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei aurora B kinase Get druggable targets OG5_127024 All targets in OG5_127024
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi serine/threonine-protein kinase 6 Get druggable targets OG5_127024 All targets in OG5_127024
Echinococcus multilocularis serine:threonine protein kinase 12 B Get druggable targets OG5_127024 All targets in OG5_127024
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi map kinase activated protein kinase protein 2 Get druggable targets OG5_131483 All targets in OG5_131483
Echinococcus multilocularis casein kinase I gamma Get druggable targets OG5_128520 All targets in OG5_128520
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Loa Loa (eye worm) protein kinase domain-containing protein Get druggable targets OG5_128520 All targets in OG5_128520
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans MAP kinase implicated in PKC1-controlled signalling pathway Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani mitogen-activated protein kinase 4 Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum IPR000719,Protein kinase,domain-containing Get druggable targets OG5_128147 All targets in OG5_128147
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Plasmodium berghei serine/threonine protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Leishmania braziliensis cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania donovani mitogen activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Giardia lamblia Kinase, AGC AKT Get druggable targets OG5_128147 All targets in OG5_128147
Trypanosoma cruzi mitogen activated protein kinase 2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 Get druggable targets OG5_128147 All targets in OG5_128147
Cryptosporidium hominis MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans cytochrome P450 556 Get druggable targets OG5_126554 All targets in OG5_126554
Entamoeba histolytica serine/threonine- protein kinase 6 , putative Get druggable targets OG5_127024 All targets in OG5_127024
Echinococcus granulosus mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium parvum MAPK, putative Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi ribosomal protein S6 kinase alpha 3 Get druggable targets OG5_128147 All targets in OG5_128147
Candida albicans likely protein kinase similar to S. cerevisiae IPL1 (YPL209C) Aurora protein kinase involved in regulating kinetochore-microtubu Get druggable targets OG5_127024 All targets in OG5_127024
Trypanosoma congolense tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium hominis protein kinase (EC 2.7.1.-) p46XlEg22 Get druggable targets OG5_127024 All targets in OG5_127024
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_131483 All targets in OG5_131483
Leishmania mexicana cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Loa Loa (eye worm) AUR protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Schistosoma mansoni protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Trypanosoma brucei protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Plasmodium yoelii putative protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Schistosoma japonicum ko:K08958 casein kinase 1, gamma, putative Get druggable targets OG5_128520 All targets in OG5_128520
Leishmania braziliensis rac serine-threonine kinase, putative,protein kinase, putative Get druggable targets OG5_128147 All targets in OG5_128147
Leishmania mexicana protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Schistosoma japonicum ko:K04371 extracellular signal-regulated kinase 1/2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma japonicum Ribosomal protein S6 kinase alpha-2, putative Get druggable targets OG5_128147 All targets in OG5_128147
Giardia lamblia Aurora kinase Get druggable targets OG5_127024 All targets in OG5_127024
Entamoeba histolytica serine/threonine- protein kinase 6, putative Get druggable targets OG5_127024 All targets in OG5_127024
Trypanosoma brucei gambiense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans Serine/threonine protein kinase Get druggable targets OG5_128147 All targets in OG5_128147
Plasmodium vivax serine/threonine protein kinase 6, putative Get druggable targets OG5_127024 All targets in OG5_127024
Echinococcus multilocularis mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_128520 All targets in OG5_128520
Loa Loa (eye worm) AGC/RSK/RSK protein kinase Get druggable targets OG5_128147 All targets in OG5_128147
Leishmania mexicana mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) CYP4Cod1 Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_128520 All targets in OG5_128520
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus granulosus mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Entamoeba histolytica protein kinase , putative Get druggable targets OG5_127024 All targets in OG5_127024
Candida albicans hypothetical protein Get druggable targets OG5_128520 All targets in OG5_128520
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Leishmania major mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania major 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_128147 All targets in OG5_128147
Echinococcus granulosus aurora kinase A Get druggable targets OG5_127024 All targets in OG5_127024
Leishmania infantum mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Plasmodium knowlesi serine/threonine protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Leishmania major cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania mexicana mitogen-activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi MAP kinase sur-1 Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans similar to headcase protein Get druggable targets OG5_128520 All targets in OG5_128520
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Entamoeba histolytica protein kinase domain containing protein Get druggable targets OG5_127024 All targets in OG5_127024
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 1 360 aa 361 aa 33.2 %
Trypanosoma brucei mitogen-activated protein kinase 5 aurora kinase B 303 aa 299 aa 22.1 %
Brugia malayi cytochrome P450 cytochrome P450, family 2, subfamily D, polypeptide 6 497 aa 425 aa 32.0 %
Brugia malayi cytochrome P450 cytochrome P450, family 3, subfamily A, polypeptide 4 502 aa 492 aa 24.2 %
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 cytochrome P450, family 2, subfamily C, polypeptide 9 490 aa 441 aa 21.8 %
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
Loa Loa (eye worm) hypothetical protein 0.0034 0.0315 0.0315
Loa Loa (eye worm) choline/ethanolamine kinase 0.0034 0.0315 0.0315
Plasmodium vivax choline kinase, putative 0.0346 1 1
Leishmania major rac serine-threonine kinase, putative,protein kinase, putative 0.0103 0.2477 1
Echinococcus granulosus serine:threonine protein kinase 12 B 0.007 0.1442 0.1164
Onchocerca volvulus 0.0034 0.0315 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0063 0.1238 0.1606
Trypanosoma brucei protein kinase, putative 0.0063 0.1238 0.8585
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.012 0.2998 0.2998
Schistosoma mansoni serine/threonine protein kinase 0.0075 0.1584 0.2208
Echinococcus granulosus mitogen activated protein kinase 0.0063 0.1238 0.0953
Trichomonas vaginalis AGC family protein kinase 0.007 0.1442 1
Echinococcus granulosus choline:ethanolamine kinase 0.0346 1 1
Giardia lamblia Kinase, CMGC MAPK 0.0063 0.1238 0.4269
Echinococcus granulosus aurora kinase A 0.007 0.1442 0.1164
Trichomonas vaginalis AGC family protein kinase 0.007 0.1442 1
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0063 0.1238 0.1238
Loa Loa (eye worm) AUR protein kinase 0.007 0.1442 0.1442
Trypanosoma brucei aurora B kinase 0.007 0.1442 1
Echinococcus granulosus mitogen activated protein kinase 3 0.0063 0.1238 0.0953
Plasmodium falciparum serine/threonine protein kinase, putative 0.007 0.1442 0.1164
Trichomonas vaginalis AGC family protein kinase 0.007 0.1442 1
Onchocerca volvulus Putative choline\/ethanolamine kinase 0.0034 0.0315 0.5
Loa Loa (eye worm) camk/mapkapk/mapkapk protein kinase 0.0219 0.6065 0.6065
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0063 0.1238 0.8585
Giardia lamblia Aurora kinase 0.007 0.1442 0.5213
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0063 0.1238 0.8585
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0063 0.1238 0.4997
Brugia malayi serine/threonine protein kinase 6 0.007 0.1442 0.1442
Loa Loa (eye worm) AUR protein kinase 0.007 0.1442 0.1442
Loa Loa (eye worm) choline Kinase A 0.0034 0.0315 0.0315
Trypanosoma cruzi aurora B kinase, putative 0.007 0.1442 1
Giardia lamblia Kinase, AGC AKT 0.0103 0.2477 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0023 0 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0219 0.6065 1
Brugia malayi Choline/ethanolamine kinase family protein 0.0034 0.0315 0.0315
Trichomonas vaginalis CMGC family protein kinase 0.0063 0.1238 0.819
Trichomonas vaginalis CMGC family protein kinase 0.0063 0.1238 0.819
Brugia malayi Protein kinase domain containing protein 0.0075 0.1584 0.1584
Entamoeba histolytica protein kinase, putative 0.007 0.1442 1
Leishmania major choline/ethanolamine kinase, putative 0.0034 0.0315 0.127
Loa Loa (eye worm) AUR protein kinase 0.007 0.1442 0.1442
Echinococcus multilocularis mitogen activated protein kinase 3 0.0063 0.1238 0.0953
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.007 0.1442 1
Brugia malayi serine/threonine kinase 12 0.007 0.1442 0.1442
Toxoplasma gondii aurora kinase 0.007 0.1442 0.1164
Trypanosoma brucei choline/ethanolamine kinase 0.0034 0.0315 0.2181
Loa Loa (eye worm) choline/ethanolamine kinase 0.0346 1 1
Echinococcus multilocularis choline:ethanolamine kinase 0.0346 1 1
Echinococcus multilocularis casein kinase I gamma 0.0075 0.1584 0.1311
Entamoeba histolytica protein kinase domain containing protein 0.007 0.1442 1
Toxoplasma gondii phosphotransferase enzyme family protein 0.0346 1 1
Echinococcus multilocularis mitogen activated protein kinase 0.0063 0.1238 0.0953
Trichomonas vaginalis CMGC family protein kinase 0.0063 0.1238 0.819
Brugia malayi MAP kinase sur-1 0.0063 0.1238 0.1238
Loa Loa (eye worm) cytochrome P450 family protein 0.0036 0.0386 0.0386
Brugia malayi serine/threonine-protein kinase 6 0.007 0.1442 0.1442
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0063 0.1238 0.8585
Plasmodium falciparum choline kinase 0.0346 1 1
Brugia malayi Cytochrome P450 family protein 0.0036 0.0386 0.0386
Echinococcus granulosus MAP kinase activated protein kinase 2 0.0219 0.6065 0.5937
Schistosoma mansoni protein kinase 0.007 0.1442 0.196
Schistosoma mansoni serine/threonine protein kinase 0.012 0.2998 0.4667
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.007 0.1442 1
Trypanosoma cruzi choline kinase 0.0034 0.0315 0.2181
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0063 0.1238 0.8585
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.012 0.2998 0.2771
Schistosoma mansoni serine/threonine protein kinase 0.007 0.1442 0.196
Entamoeba histolytica protein kinase , putative 0.007 0.1442 1
Brugia malayi map kinase activated protein kinase protein 2 0.0219 0.6065 0.6065
Trypanosoma cruzi choline ethanolamine kinase, putative 0.0034 0.0315 0.2181
Leishmania major choline kinase 0.0034 0.0315 0.127
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.007 0.1442 0.1164
Loa Loa (eye worm) casein kinase 0.0072 0.1509 0.1509
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0063 0.1238 0.0953
Loa Loa (eye worm) protein kinase domain-containing protein 0.0075 0.1584 0.1584
Leishmania major protein kinase, putative 0.007 0.1442 0.5821
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.012 0.2998 0.2771
Trichomonas vaginalis AGC family protein kinase 0.007 0.1442 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0063 0.1238 0.8585
Trichomonas vaginalis CMGC family protein kinase 0.0063 0.1238 0.819
Plasmodium vivax serine/threonine protein kinase 6, putative 0.007 0.1442 0.1164
Echinococcus granulosus casein kinase I gamma 0.0075 0.1584 0.1311
Brugia malayi ribosomal protein S6 kinase alpha 3 0.0103 0.2477 0.2477
Entamoeba histolytica protein kinase, putative 0.007 0.1442 1
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.007 0.1442 1
Trypanosoma brucei choline kinase 0.0034 0.0315 0.2181
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0063 0.1238 0.4997
Echinococcus multilocularis MAP kinase activated protein kinase 2 0.0219 0.6065 0.5937
Echinococcus multilocularis aurora kinase A 0.007 0.1442 0.1164
Brugia malayi Choline/ethanolamine kinase family protein 0.0034 0.0315 0.0315

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) Inhibition of PKCalpha ChEMBL. 19364658
IC50 (binding) = 0.52 uM Inhibition of CK1-gamma1 ChEMBL. 19364658
IC50 (binding) = 0.78 uM Inhibition of RSK1 ChEMBL. 19364658
IC50 (binding) = 4.5 uM Inhibition of human recombinant MK2 ChEMBL. 19364658
IC50 (ADMET) = 5.1 uM Inhibition of CYP2C9 ChEMBL. 19364658
IC50 (binding) = 6 uM Inhibition of Aurora B ChEMBL. 19364658
IC50 (binding) = 6.3 uM Inhibition of ERK2 ChEMBL. 19364658
IC50 (ADMET) = 8.6 uM Inhibition of CYP3A4 ChEMBL. 19364658
IC50 (ADMET) > 10 uM Inhibition of CYP2D6 ChEMBL. 19364658
IC50 (functional) > 40 uM Inhibition of LPS-stimulated TNFalpha production in human THP1 cells ChEMBL. 19364658
IC50 (binding) = 44 uM Inhibition of PDGFRalpha ChEMBL. 19364658
IC50 (binding) > 50 uM Inhibition of FYN ChEMBL. 19364658
IC50 (binding) > 50 uM Inhibition of IKKalpha ChEMBL. 19364658
IC50 (binding) > 50 uM Inhibition of p38alpha ChEMBL. 19364658
IC50 (binding) > 50 uM Inhibition of SRC ChEMBL. 19364658

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

1 literature reference was collected for this gene.

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