Detailed information for compound 1662619

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 324.38 | Formula: C17H20N6O
  • H donors: 4 H acceptors: 3 LogP: 2.49 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1c(N)cc(nc1NC(C)(C)C)Nc1ccc(cc1)C(=O)N
  • InChi: 1S/C17H20N6O/c1-17(2,3)23-16-12(9-18)13(19)8-14(22-16)21-11-6-4-10(5-7-11)15(20)24/h4-8H,1-3H3,(H2,20,24)(H4,19,21,22,23)
  • InChiKey: XDEFNAWAKYQBQY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TTK protein kinase Starlite/ChEMBL References
Homo sapiens cyclin-dependent kinase 3 References
Homo sapiens ribosomal protein S27 Starlite/ChEMBL References
Homo sapiens cyclin A2 Starlite/ChEMBL References
Homo sapiens mitogen-activated protein kinase 8 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania major cell division protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania donovani 40S ribosomal protein S27-1, putative Get druggable targets OG5_127008 All targets in OG5_127008
Trypanosoma cruzi cdc2-related kinase 3 Get druggable targets OG5_126712 All targets in OG5_126712
Entamoeba histolytica 40S ribosomal protein S27, putative Get druggable targets OG5_127008 All targets in OG5_127008
Theileria parva 40S ribosomal protein S27, putative Get druggable targets OG5_127008 All targets in OG5_127008
Candida albicans likely B-type cyclin similar to S. cerevisiae CLB4 (YLR210W) and CLB3 (YDL155W) involved in G1/S transition Get druggable targets OG5_126649 All targets in OG5_126649
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_129339 All targets in OG5_129339
Trypanosoma cruzi cdc2-related kinase 3 Get druggable targets OG5_126712 All targets in OG5_126712
Plasmodium knowlesi Cell division control protein 2 homolog Get druggable targets OG5_126712 All targets in OG5_126712
Cryptosporidium parvum Cdc2-like CDK2/CDC28 like protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Brugia malayi 40S ribosomal protein S27 Get druggable targets OG5_127008 All targets in OG5_127008
Leishmania infantum 40S ribosomal protein S27-1, putative Get druggable targets OG5_127008 All targets in OG5_127008
Echinococcus multilocularis cyclin dependent kinase Get druggable targets OG5_126712 All targets in OG5_126712
Schistosoma mansoni cyclin B Get druggable targets OG5_126649 All targets in OG5_126649
Candida albicans protein threonine/tyrosine kinase Get druggable targets OG5_129339 All targets in OG5_129339
Leishmania major 40S ribosomal protein S27-1, putative Get druggable targets OG5_127008 All targets in OG5_127008
Trichomonas vaginalis cyclin B, putative Get druggable targets OG5_126649 All targets in OG5_126649
Echinococcus granulosus ribosomal protein S27 Get druggable targets OG5_127008 All targets in OG5_127008
Cryptosporidium hominis 40S ribosomal protein S27 Get druggable targets OG5_127008 All targets in OG5_127008
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_129339 All targets in OG5_129339
Giardia lamblia G2/mitotic-specific cyclin B Get druggable targets OG5_126649 All targets in OG5_126649
Trichomonas vaginalis cyclins, putative Get druggable targets OG5_126649 All targets in OG5_126649
Brugia malayi Cyclin, N-terminal domain containing protein Get druggable targets OG5_126649 All targets in OG5_126649
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Neospora caninum CMGC kinase, CDK family TgPK2, putative Get druggable targets OG5_126712 All targets in OG5_126712
Schistosoma japonicum ko:K04440 c-Jun N-terminal kinase, putative Get druggable targets OG5_129677 All targets in OG5_129677
Leishmania mexicana cell division related protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Plasmodium berghei cdc2-related kinase 2 Get druggable targets OG5_126712 All targets in OG5_126712
Schistosoma japonicum ko:K02087 cyclin-dependent kinase 1, putative Get druggable targets OG5_126712 All targets in OG5_126712
Trichomonas vaginalis 40S ribosomal protein S27, putative Get druggable targets OG5_127008 All targets in OG5_127008
Echinococcus granulosus c-Jun N-terminal kinases Get druggable targets OG5_129677 All targets in OG5_129677
Trypanosoma cruzi cyclin, putative Get druggable targets OG5_126649 All targets in OG5_126649
Onchocerca volvulus Dual specificity protein kinase TTK homolog Get druggable targets OG5_129339 All targets in OG5_129339
Trypanosoma brucei gambiense cell division protein kinase 2 homolog 1,cdc2- like protein kinase, putative Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania donovani cdc2-related kinase 3, putative Get druggable targets OG5_126712 All targets in OG5_126712
Babesia bovis 40S ribosomal protein S27, putative Get druggable targets OG5_127008 All targets in OG5_127008
Plasmodium vivax 40S ribosomal protein S27, putative Get druggable targets OG5_127008 All targets in OG5_127008
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_129339 All targets in OG5_129339
Entamoeba histolytica cell division protein kinase 2, putative Get druggable targets OG5_126712 All targets in OG5_126712
Brugia malayi Stress-activated protein kinase jnk-1 Get druggable targets OG5_129677 All targets in OG5_129677
Leishmania braziliensis 40S ribosomal protein S27-1, putative Get druggable targets OG5_127008 All targets in OG5_127008
Trichomonas vaginalis cyclins, putative Get druggable targets OG5_126649 All targets in OG5_126649
Schistosoma japonicum ko:K05868 cyclin B, putative Get druggable targets OG5_126649 All targets in OG5_126649
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_129677 All targets in OG5_129677
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania donovani cell division protein kinase 2 Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma cruzi cyclin 6, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trichomonas vaginalis cyclins, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trichomonas vaginalis cyclins, putative Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania infantum cell division related protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma brucei cdc2-related kinase 3 Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma brucei mitotic cyclin 6 Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania braziliensis 40S ribosomal protein S27-1 Get druggable targets OG5_127008 All targets in OG5_127008
Schistosoma mansoni 40S ribosomal protein S27 Get druggable targets OG5_127008 All targets in OG5_127008
Trichomonas vaginalis cyclin B, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trichomonas vaginalis 40S ribosomal protein S27, putative Get druggable targets OG5_127008 All targets in OG5_127008
Leishmania donovani cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma brucei gambiense 40S ribosomal protein S27, putative Get druggable targets OG5_127008 All targets in OG5_127008
Trichomonas vaginalis 40S ribosomal protein S27, putative Get druggable targets OG5_127008 All targets in OG5_127008
Leishmania braziliensis cell division protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Plasmodium falciparum protein kinase 5 Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus multilocularis ribosomal protein S27 Get druggable targets OG5_127008 All targets in OG5_127008
Loa Loa (eye worm) 40S ribosomal protein S27 Get druggable targets OG5_127008 All targets in OG5_127008
Cryptosporidium parvum ribosomal protein S27 Get druggable targets OG5_127008 All targets in OG5_127008
Trypanosoma brucei gambiense cell division related protein kinase 2, putative,CDC2-related protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Candida albicans likely G2 B-type cyclin similar to S. cerevisiae CLB1 (YPR119W) which is involved in mitotic induction Get druggable targets OG5_126649 All targets in OG5_126649
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126712 All targets in OG5_126712
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Giardia lamblia Ribosomal protein S27 Get druggable targets OG5_127008 All targets in OG5_127008
Schistosoma japonicum ko:K05501 TetR/AcrR family transcriptional regulator, putative Get druggable targets OG5_129339 All targets in OG5_129339
Entamoeba histolytica 40S ribosomal protein S27 Get druggable targets OG5_127008 All targets in OG5_127008
Theileria parva cell division control protein 2 related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus granulosus cyclin dependent kinase 5 Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus multilocularis dual specificity serine:threonine tyrosine Get druggable targets OG5_129339 All targets in OG5_129339
Babesia bovis cell division control protein 2, putative Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma congolense mitotic cyclin 6 Get druggable targets OG5_126649 All targets in OG5_126649
Echinococcus granulosus cyclin B Get druggable targets OG5_126649 All targets in OG5_126649
Plasmodium falciparum 40S ribosomal protein S27 Get druggable targets OG5_127008 All targets in OG5_127008
Echinococcus multilocularis cyclin dependent kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma brucei 40S ribosomal protein S27-like, putative Get druggable targets OG5_127008 All targets in OG5_127008
Trypanosoma brucei gambiense cyclin 6,mitotic cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Entamoeba histolytica 40S ribosomal protein S27, putative Get druggable targets OG5_127008 All targets in OG5_127008
Plasmodium yoelii ribosomal protein S27 Get druggable targets OG5_127008 All targets in OG5_127008
Trypanosoma cruzi CYC2-like cyclin, putative Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania donovani CYC2-like cyclin, putative Get druggable targets OG5_126649 All targets in OG5_126649
Cryptosporidium hominis mitotic cyclin-CYC2 Get druggable targets OG5_126649 All targets in OG5_126649
Echinococcus granulosus cyclin dependent kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania infantum CYC2-like cyclin, putative,cyclin 6, putative Get druggable targets OG5_126649 All targets in OG5_126649
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma cruzi 40S ribosomal protein S27, putative Get druggable targets OG5_127008 All targets in OG5_127008
Trichomonas vaginalis cyclins, putative Get druggable targets OG5_126649 All targets in OG5_126649
Neospora caninum Ribosomal protein S27, related Get druggable targets OG5_127008 All targets in OG5_127008
Trypanosoma brucei cdc2-related kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus multilocularis cyclin B Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma cruzi cdc2-related kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma cruzi cdc2-related kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Cryptosporidium hominis cdc2-like protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Candida albicans Protein kinase that can substitute for S. cerevisiae CDC28 (YBR160W) main cell cycle cyclin-dependent kinase Get druggable targets OG5_126712 All targets in OG5_126712
Brugia malayi Cyclin, N-terminal domain containing protein Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma cruzi ribosomal protein S27, putative Get druggable targets OG5_127008 All targets in OG5_127008
Leishmania braziliensis cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma congolense cdc2-related kinase 3, putative Get druggable targets OG5_126712 All targets in OG5_126712
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Entamoeba histolytica cyclin, putative Get druggable targets OG5_126649 All targets in OG5_126649
Plasmodium vivax protein kinase Crk2 Get druggable targets OG5_126712 All targets in OG5_126712
Giardia lamblia Kinase, TTK Get druggable targets OG5_129339 All targets in OG5_129339
Schistosoma japonicum ko:K02090 cyclin-dependent kinase 5, putative Get druggable targets OG5_126712 All targets in OG5_126712
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus multilocularis cyclin dependent kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania braziliensis CYC2-like cyclin, putative,cyclin 6, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trichomonas vaginalis cyclin A, putative Get druggable targets OG5_126649 All targets in OG5_126649
Toxoplasma gondii ribosomal protein RPS27 Get druggable targets OG5_127008 All targets in OG5_127008
Plasmodium knowlesi 40S ribosomal protein S27, putative Get druggable targets OG5_127008 All targets in OG5_127008
Schistosoma mansoni dual specificity serine/threonine tyrosine kinase Get druggable targets OG5_129339 All targets in OG5_129339
Leishmania mexicana cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Schistosoma japonicum IPR000164,Histone H3;IPR009072,Histone-fold,domain-containing Get druggable targets OG5_129677 All targets in OG5_129677
Trypanosoma cruzi cyclin, putative Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania mexicana cell division protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus granulosus dual specificity serine:threonine tyrosine Get druggable targets OG5_129339 All targets in OG5_129339
Cryptosporidium parvum cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Loa Loa (eye worm) CMGC/MAPK/JNK protein kinase Get druggable targets OG5_129677 All targets in OG5_129677
Leishmania major cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Plasmodium berghei 40S ribosomal protein S27, putative Get druggable targets OG5_127008 All targets in OG5_127008
Candida albicans likely G2 B-type cyclin similar to S. cerevisiae CLB1 (YPR119W) which is involved in mitotic induction Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania braziliensis cell division related protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Trichomonas vaginalis cyclin B, putative Get druggable targets OG5_126649 All targets in OG5_126649
Entamoeba histolytica cell division protein kinase 2, putative Get druggable targets OG5_126712 All targets in OG5_126712
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania infantum cell division protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania infantum cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Candida albicans Protein kinase that can substitute for S. cerevisiae CDC28 (YBR160W) main cell cycle cyclin-dependent kinase Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania mexicana CYC2-like cyclin, putative,cyclin 6, putative Get druggable targets OG5_126649 All targets in OG5_126649
Plasmodium yoelii cdc2-related kinase 2 Get druggable targets OG5_126712 All targets in OG5_126712
Trichomonas vaginalis 40S ribosomal protein S27, putative Get druggable targets OG5_127008 All targets in OG5_127008
Echinococcus granulosus cyclin dependent kinase Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania mexicana 40S ribosomal protein S27-1, putative Get druggable targets OG5_127008 All targets in OG5_127008
Onchocerca volvulus Get druggable targets OG5_126649 All targets in OG5_126649
Giardia lamblia Kinase, CMGC CDK Get druggable targets OG5_126712 All targets in OG5_126712
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Schistosoma japonicum ko:K02978 small subunit ribosomal protein S27e, putative Get druggable targets OG5_127008 All targets in OG5_127008
Echinococcus multilocularis cyclin dependent kinase 5 Get druggable targets OG5_126712 All targets in OG5_126712
Loa Loa (eye worm) TTK protein kinase Get druggable targets OG5_129339 All targets in OG5_129339
Echinococcus multilocularis c Jun NH2 terminal kinase Get druggable targets OG5_129677 All targets in OG5_129677
Giardia lamblia Kinase, CMGC CDK Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma cruzi 40S ribosomal protein S27, putative Get druggable targets OG5_127008 All targets in OG5_127008
Trypanosoma congolense Cyclin, N-terminal domain/Cyclin, C-terminal domain containing protein, putative Get druggable targets OG5_126649 All targets in OG5_126649
Candida albicans hypothetical protein Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma congolense cdc2-related kinase 1, putative Get druggable targets OG5_126712 All targets in OG5_126712
Brugia malayi cell division control protein 2 homolog Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trichomonas vaginalis cyclin B, putative Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania major cell division related protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
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 cyclin-dependent kinase 3 305 aa 303 aa 32.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis 40S ribosomal protein S27, putative 0.004 0.07 0.2282
Trypanosoma cruzi cdc2-related kinase 3 0.0053 0.1196 1
Echinococcus granulosus ribosomal protein S27 0.004 0.07 0.008
Trichomonas vaginalis cyclins, putative 0.0039 0.0626 0.1971
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0053 0.1196 1
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0053 0.1196 0.1196
Trichomonas vaginalis 40S ribosomal protein S27, putative 0.004 0.07 0.2282
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.1196 0.434
Giardia lamblia Kinase, CMGC CDK 0.0053 0.1196 0.2951
Plasmodium falciparum protein kinase 5 0.0053 0.1196 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.1131 0.1131
Onchocerca volvulus Dual specificity protein kinase TTK homolog 0.0088 0.2559 1
Echinococcus granulosus dual specificity serine:threonine tyrosine 0.0088 0.2559 0.2062
Echinococcus multilocularis cyclin dependent kinase 1 0.0053 0.1196 0.0608
Echinococcus multilocularis ribosomal protein S27 0.004 0.07 0.008
Loa Loa (eye worm) hypothetical protein 0.0039 0.0626 0.0626
Echinococcus multilocularis c Jun NH2 terminal kinase 0.0279 1 1
Trypanosoma cruzi cdc2-related kinase 3 0.0053 0.1196 1
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0053 0.1196 0.1196
Loa Loa (eye worm) TTK protein kinase 0.0088 0.2559 0.2559
Plasmodium vivax protein kinase Crk2 0.0053 0.1196 1
Giardia lamblia Ribosomal protein S27 0.004 0.07 0.0387
Trichomonas vaginalis cyclin B, putative 0.0039 0.0626 0.1971
Brugia malayi cell division control protein 2 homolog 0.0053 0.1196 0.0608
Loa Loa (eye worm) CMGC/MAPK/JNK protein kinase 0.0279 1 1
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0053 0.1196 1
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0053 0.1196 1
Echinococcus multilocularis dual specificity serine:threonine tyrosine 0.0088 0.2559 0.2062
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.1196 0.434
Schistosoma mansoni dual specificity serine/threonine tyrosine kinase 0.0088 0.2559 0.2062
Entamoeba histolytica 40S ribosomal protein S27, putative 0.004 0.07 0.1312
Trypanosoma cruzi 40S ribosomal protein S27, putative 0.004 0.07 0.1312
Trichomonas vaginalis cyclin B, putative 0.0039 0.0626 0.1971
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0053 0.1196 0.0608
Brugia malayi Protein kinase domain containing protein 0.0053 0.1196 0.0608
Schistosoma mansoni serine/threonine protein kinase 0.0053 0.1196 0.0608
Schistosoma mansoni 40S ribosomal protein S27 0.004 0.07 0.008
Trichomonas vaginalis 40S ribosomal protein S27, putative 0.004 0.07 0.2282
Trypanosoma brucei 40S ribosomal protein S27-like, putative 0.004 0.07 0.1312
Trichomonas vaginalis cyclin B, putative 0.0039 0.0626 0.1971
Trichomonas vaginalis cyclin A, putative 0.0039 0.0626 0.1971
Entamoeba histolytica cell division protein kinase 2, putative 0.0053 0.1196 1
Trichomonas vaginalis 40S ribosomal protein S27, putative 0.004 0.07 0.2282
Trypanosoma cruzi cdc2-related kinase 1 0.0053 0.1196 1
Trichomonas vaginalis cyclin B, putative 0.0039 0.0626 0.1971
Entamoeba histolytica cell division protein kinase 2, putative 0.0053 0.1196 1
Trichomonas vaginalis CAMK family protein kinase 0.0088 0.2559 1
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0053 0.1196 0.1196
Echinococcus multilocularis cyclin dependent kinase 0.0053 0.1196 0.0608
Trypanosoma brucei cdc2-related kinase 3 0.0053 0.1196 1
Trichomonas vaginalis cyclins, putative 0.0039 0.0626 0.1971
Schistosoma mansoni serine/threonine protein kinase 0.0053 0.1196 0.0608
Trypanosoma brucei cdc2-related kinase 1 0.0053 0.1196 1
Trypanosoma cruzi ribosomal protein S27, putative 0.004 0.07 0.1312
Giardia lamblia Kinase, CMGC CDK 0.0053 0.1196 0.2951
Giardia lamblia Kinase, TTK 0.0088 0.2559 1
Echinococcus granulosus cyclin dependent kinase 5 0.0053 0.1196 0.0608
Loa Loa (eye worm) 40S ribosomal protein S27 0.004 0.07 0.07
Trichomonas vaginalis CAMK family protein kinase 0.0088 0.2559 1
Trichomonas vaginalis cyclins, putative 0.0039 0.0626 0.1971
Echinococcus granulosus cyclin dependent kinase 1 0.0053 0.1196 0.0608
Schistosoma mansoni serine/threonine protein kinase 0.0279 1 1
Echinococcus multilocularis cyclin dependent kinase 5 0.0053 0.1196 0.0608
Echinococcus granulosus c-Jun N-terminal kinases 0.0279 1 1
Brugia malayi 40S ribosomal protein S27 0.004 0.07 0.008
Trypanosoma cruzi cdc2-related kinase 1 0.0053 0.1196 1
Brugia malayi Protein kinase domain containing protein 0.0088 0.2559 0.2062
Trypanosoma cruzi 40S ribosomal protein S27, putative 0.004 0.07 0.1312
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.1196 0.434
Loa Loa (eye worm) hypothetical protein 0.0039 0.0626 0.0626
Entamoeba histolytica 40S ribosomal protein S27 0.004 0.07 0.1312
Echinococcus granulosus cyclin dependent kinase 0.0053 0.1196 0.0608
Leishmania major 40S ribosomal protein S27-1, putative 0.004 0.07 0.1312
Echinococcus multilocularis cyclin dependent kinase 1 0.0053 0.1196 0.0608
Entamoeba histolytica 40S ribosomal protein S27, putative 0.004 0.07 0.1312
Trichomonas vaginalis cyclins, putative 0.0039 0.0626 0.1971

Activities

Activity type Activity value Assay description Source Reference
Cmax (ADMET) = 3542 ng/ml Cmax in mouse at 25 mg/kg, po ChEMBL. 24900510
GI50 (functional) = 1.6 uM Growth inhibition in human HCT116 cells after 72 hrs by MTT assay ChEMBL. 24256217
IC50 (binding) = 6.4 nM Inhibition of Mps1-mediated p38 MAPK phosphorylation after 90 mins by DELFIA assay ChEMBL. 24900510
IC50 (binding) = 131 nM Inhibition of FLAG-tagged Mps1 autophosphorylation in human RERF-LC-AI cells expressing Tet-suppressible promotor after 3 hrs by immunoblotting ChEMBL. 24900510
IC50 (binding) = 231 nM Inhibition of JNK1-mediated ATF2 phosphorylation after 1 hr by ELISA ChEMBL. 24900510
IC50 (binding) = 0.011 uM Inhibition of N-terminal 6XHis-tagged/GST-tagged full length human MPS1 expressed in recombinant baculovirus infected sf9 insect cells using 5FAM-DHTGFLTEYVATRCONH2 as substrate after 60 to 90 mins by fluorescence assay ChEMBL. 24256217
IC50 (binding) = 0.56 uM Inhibition of Myc-tagged wild type MPS1 autophosphorylation in human HCT116 cells after 2 hrs in presence of proteosome inhibitor MG132 ChEMBL. 24256217
IC50 (functional) = 0.84 uM Antiproliferative activity against human A549 cells after 72 hrs by WST8 assay ChEMBL. 24900510
IC50 (binding) = 8.8 uM Inhibition of full length CDK2/Cyclin A (unknown origin) using 5FAMQSPKKG-CONH2 as substrate after 60 mins by fluorescence assay ChEMBL. 24256217
IC50 (binding) > 100 uM Inhibition of N-terminal His-tagged Aurora A (unknown origin) using 5FAM-LRRASLG-CONH2 as substrate after 60 mins by fluorescence assay ChEMBL. 24256217
Inhibition (binding) = 50 % Inhibition of FLT3 at 1 uM ChEMBL. 24900510
TGI (functional) = 47 % Antitumor activity against human A549 cells xenografted in BALB/cA Jcl-nu/nu mouse assessed as tumor growth inhibition at 100 mg/kg, po administered QD for 19 days relative to vehicle-treated control ChEMBL. 24900510

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 24900510

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

2 literature references were collected for this gene.

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