Detailed information for compound 1827523

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 506.984 | Formula: C26H27ClN6O3
  • H donors: 1 H acceptors: 4 LogP: 4.27 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 2
  • SMILES: Cn1ncc(c1)c1cc2c(n1C(=O)OC(C)(C)C)cc(nc2)Nc1ccc(cc1Cl)C(=O)N1CCC1
  • InChi: 1S/C26H27ClN6O3/c1-26(2,3)36-25(35)33-21(18-14-29-31(4)15-18)11-17-13-28-23(12-22(17)33)30-20-7-6-16(10-19(20)27)24(34)32-8-5-9-32/h6-7,10-15H,5,8-9H2,1-4H3,(H,28,30)
  • InChiKey: JQPIFTKCYKIRJS-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 cyclin A2 Starlite/ChEMBL References
Homo sapiens TTK protein kinase Starlite/ChEMBL References
Homo sapiens cyclin-dependent kinase 3 References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Plasmodium yoelii cdc2-related kinase 2 Get druggable targets OG5_126712 All targets in OG5_126712
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126712 All targets in OG5_126712
Entamoeba histolytica cell division protein kinase 2, putative 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
Trypanosoma cruzi cyclin 6, putative Get druggable targets OG5_126649 All targets in OG5_126649
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
Trypanosoma cruzi cdc2-related kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania major cell division related protein kinase 2,cdc2-related kinase 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
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
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 infantum cell division related protein kinase 2,cdc2-related 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
Onchocerca volvulus Dual specificity protein kinase TTK homolog Get druggable targets OG5_129339 All targets in OG5_129339
Plasmodium vivax protein kinase Crk2 Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania donovani cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Trichomonas vaginalis cyclins, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma brucei cdc2-related kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Schistosoma japonicum ko:K02090 cyclin-dependent kinase 5, putative 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
Leishmania donovani CYC2-like cyclin, putative Get druggable targets OG5_126649 All targets in OG5_126649
Echinococcus multilocularis cyclin dependent kinase 5 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
Trypanosoma brucei cdc2-related kinase 3 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
Trypanosoma brucei gambiense cell division related protein kinase 2, putative,CDC2-related protein 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
Babesia bovis cell division control protein 2, putative Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania braziliensis cyclin 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
Leishmania mexicana cell division related protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus granulosus cyclin dependent kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Schistosoma mansoni cyclin B 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
Leishmania infantum cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma congolense Cyclin, N-terminal domain/Cyclin, C-terminal domain containing protein, putative 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
Trypanosoma cruzi cdc2-related kinase 3 Get druggable targets OG5_126712 All targets in OG5_126712
Trichomonas vaginalis cyclins, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma cruzi cyclin, putative 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126649 All targets in OG5_126649
Entamoeba histolytica cyclin, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma brucei gambiense cyclin 6,mitotic cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania braziliensis cell division protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma cruzi CYC2-like cyclin, putative Get druggable targets OG5_126649 All targets in OG5_126649
Schistosoma mansoni dual specificity serine/threonine tyrosine kinase Get druggable targets OG5_129339 All targets in OG5_129339
Echinococcus granulosus dual specificity serine:threonine tyrosine 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
Cryptosporidium parvum cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Entamoeba histolytica cell division protein kinase 2, 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
Trichomonas vaginalis cyclins, putative 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
Trypanosoma cruzi cyclin, putative 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
Onchocerca volvulus Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma brucei mitotic cyclin 6 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
Cryptosporidium hominis cdc2-like protein kinase 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
Brugia malayi cell division control protein 2 homolog Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania major cell division protein kinase 2,cdc2-related 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
Brugia malayi Cyclin, N-terminal domain containing protein 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
Leishmania major cyclin 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
Trichomonas vaginalis cyclin B, putative Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania mexicana cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Echinococcus multilocularis dual specificity serine:threonine tyrosine Get druggable targets OG5_129339 All targets in OG5_129339
Echinococcus granulosus cyclin dependent kinase 5 Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus multilocularis cyclin B 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
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
Schistosoma japonicum ko:K05501 TetR/AcrR family transcriptional regulator, putative Get druggable targets OG5_129339 All targets in OG5_129339
Candida albicans hypothetical protein 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
Plasmodium knowlesi Cell division control protein 2 homolog Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma congolense cdc2-related kinase 3, putative Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania mexicana cell division protein kinase 2,cdc2-related kinase 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126649 All targets in OG5_126649
Schistosoma japonicum ko:K02087 cyclin-dependent kinase 1, putative 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
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 Protein kinase domain containing protein 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
Leishmania donovani cdc2-related kinase 3, putative Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma congolense cdc2-related kinase 1, putative Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus granulosus cyclin dependent kinase Get druggable targets OG5_126712 All targets in OG5_126712
Trichomonas vaginalis cyclins, putative Get druggable targets OG5_126649 All targets in OG5_126649
Cryptosporidium parvum Cdc2-like CDK2/CDC28 like protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
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
Loa Loa (eye worm) TTK protein kinase Get druggable targets OG5_129339 All targets in OG5_129339
Theileria parva cell division control protein 2 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
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 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
Leishmania infantum cell division protein kinase 2,cdc2-related kinase 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
Trypanosoma cruzi cdc2-related kinase 3 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
Giardia lamblia Kinase, CMGC CDK Get druggable targets OG5_126712 All targets in OG5_126712
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_129339 All targets in OG5_129339
Leishmania donovani cell division protein kinase 2 Get druggable targets OG5_126712 All targets in OG5_126712
Candida albicans protein threonine/tyrosine kinase Get druggable targets OG5_129339 All targets in OG5_129339
Giardia lamblia Kinase, TTK Get druggable targets OG5_129339 All targets in OG5_129339
Echinococcus multilocularis cyclin dependent kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus multilocularis cyclin dependent 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
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
Echinococcus granulosus retinoic acid receptor rxr beta a 0.1296 1 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0126 0.0126
Loa Loa (eye worm) TTK protein kinase 0.0088 0.0512 0.0512
Trypanosoma cruzi cdc2-related kinase 3 0.0053 0.0237 1
Trichomonas vaginalis cyclins, putative 0.0039 0.0126 0.1989
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.0237 0.4289
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0611 0.4624 0.4624
Loa Loa (eye worm) hypothetical protein 0.0611 0.4624 0.4624
Loa Loa (eye worm) DR-78 0.0611 0.4624 0.4624
Brugia malayi nuclear hormone receptor 0.1296 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.1296 1 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.1296 1 1
Loa Loa (eye worm) hypothetical protein 0.0611 0.4624 0.4624
Brugia malayi hypothetical protein 0.0685 0.52 0.5138
Trichomonas vaginalis cyclin B, putative 0.0039 0.0126 0.1989
Brugia malayi Nuclear hormone receptor E75 0.0611 0.4624 0.4555
Trichomonas vaginalis cyclins, putative 0.0039 0.0126 0.1989
Giardia lamblia Kinase, TTK 0.0088 0.0512 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.1296 1 1
Loa Loa (eye worm) hypothetical protein 0.1296 1 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.1296 1 1
Trypanosoma cruzi cdc2-related kinase 1 0.0053 0.0237 1
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0611 0.4624 0.4555
Loa Loa (eye worm) hypothetical protein 0.0685 0.52 0.52
Trichomonas vaginalis cyclins, putative 0.0039 0.0126 0.1989
Echinococcus granulosus nuclear receptor 2DBD gamma 0.1296 1 1
Echinococcus multilocularis cyclin dependent kinase 1 0.0053 0.0237 0.0112
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.1296 1 1
Brugia malayi steroid hormone receptor 0.1296 1 1
Entamoeba histolytica cell division protein kinase 2, putative 0.0053 0.0237 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.1296 1 1
Brugia malayi nuclear hormone receptor family member odr-7 0.0611 0.4624 0.4555
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.1296 1 1
Echinococcus multilocularis cyclin dependent kinase 5 0.0053 0.0237 0.0112
Schistosoma mansoni serine/threonine protein kinase 0.0053 0.0237 0.0112
Plasmodium vivax protein kinase Crk2 0.0053 0.0237 0.5
Loa Loa (eye worm) nuclear receptor NHR-67 0.0611 0.4624 0.4624
Loa Loa (eye worm) hypothetical protein 0.0611 0.4624 0.4624
Brugia malayi Nuclear hormone receptor family member nhr-25 0.1296 1 1
Loa Loa (eye worm) hypothetical protein 0.1296 1 1
Echinococcus granulosus cyclin dependent kinase 0.0053 0.0237 0.0112
Giardia lamblia Kinase, CMGC CDK 0.0053 0.0237 0.2871
Echinococcus granulosus cyclin dependent kinase 1 0.0053 0.0237 0.0112
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0053 0.0237 1
Echinococcus granulosus ecdysone induced protein 78C 0.1296 1 1
Trichomonas vaginalis cyclins, putative 0.0039 0.0126 0.1989
Brugia malayi hypothetical protein 0.0611 0.4624 0.4555
Brugia malayi Protein kinase domain containing protein 0.0088 0.0512 0.0391
Brugia malayi tailless protein 0.0611 0.4624 0.4555
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0611 0.4624 0.4555
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.1296 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.1296 1 1
Brugia malayi nuclear receptor RXR 0.0685 0.52 0.5138
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0685 0.52 0.5138
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0611 0.4624 0.4555
Onchocerca volvulus 0.1296 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0685 0.52 0.5138
Loa Loa (eye worm) hypothetical protein 0.0611 0.4624 0.4624
Loa Loa (eye worm) hypothetical protein 0.1296 1 1
Loa Loa (eye worm) hypothetical protein 0.1296 1 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.1296 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.1296 1 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.1296 1 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.1296 1 1
Echinococcus granulosus cyclin dependent kinase 5 0.0053 0.0237 0.0112
Echinococcus granulosus Nuclear hormone receptor HR96 0.0611 0.4624 0.4555
Onchocerca volvulus Protein ultraspiracle homolog 0.1296 1 1
Loa Loa (eye worm) hypothetical protein 0.0685 0.52 0.52
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.1296 1 1
Brugia malayi conserved hypotetical protein 0.0611 0.4624 0.4555
Brugia malayi nuclear hormone receptor family member nhr-6 0.0611 0.4624 0.4555
Brugia malayi ecdysone receptor 0.0611 0.4624 0.4555
Entamoeba histolytica cell division protein kinase 2, putative 0.0053 0.0237 1
Schistosoma mansoni nuclear hormone receptor 0.0611 0.4624 0.4555
Trichomonas vaginalis CAMK family protein kinase 0.0088 0.0512 1
Trichomonas vaginalis cyclin B, putative 0.0039 0.0126 0.1989
Onchocerca volvulus 0.0611 0.4624 0.4555
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.1296 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0053 0.0237 0.0112
Brugia malayi hypothetical protein 0.0611 0.4624 0.4555
Loa Loa (eye worm) hypothetical protein 0.0052 0.0228 0.0228
Loa Loa (eye worm) hypothetical protein 0.1296 1 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0611 0.4624 0.4555
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0053 0.0237 0.5
Loa Loa (eye worm) hypothetical protein 0.0685 0.52 0.52
Loa Loa (eye worm) hypothetical protein 0.0611 0.4624 0.4624
Echinococcus granulosus nuclear receptor 2DBD gamma 0.1296 1 1
Schistosoma mansoni nuclear hormone receptor 0.1296 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.1296 1 1
Schistosoma mansoni nuclear receptor nhr-48 0.0611 0.4624 0.4555
Echinococcus granulosus nuclear receptor nhr 48 0.0611 0.4624 0.4555
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0611 0.4624 0.4555
Brugia malayi nuclear hormone receptor 0.0611 0.4624 0.4555
Echinococcus granulosus Nuclear hormone receptor HR96 0.0611 0.4624 0.4555
Brugia malayi nuclear receptor NHR-67 0.0611 0.4624 0.4555
Brugia malayi Nuclear hormone receptor family member nhr-19 0.1296 1 1
Loa Loa (eye worm) hypothetical protein 0.0611 0.4624 0.4624
Loa Loa (eye worm) hypothetical protein 0.0039 0.0126 0.0126
Trichomonas vaginalis cyclin A, putative 0.0039 0.0126 0.1989
Schistosoma mansoni steroid hormone receptor ad4bp 0.1296 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.1296 1 1
Brugia malayi nuclear receptor NHR-88 0.0611 0.4624 0.4555
Brugia malayi cell division control protein 2 homolog 0.0053 0.0237 0.0112
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.1296 1 1
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0053 0.0237 0.0237
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0611 0.4624 0.4555
Loa Loa (eye worm) hypothetical protein 0.0611 0.4624 0.4624
Brugia malayi Nuclear hormone receptor-like 1 0.0685 0.52 0.5138
Loa Loa (eye worm) hypothetical protein 0.0611 0.4624 0.4624
Trypanosoma brucei cdc2-related kinase 1 0.0053 0.0237 1
Brugia malayi Steroid receptor seven-up type 2 0.1296 1 1
Brugia malayi Nuclear hormone receptor E75 0.0611 0.4624 0.4555
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0611 0.4624 0.4555
Brugia malayi Nuclear hormone receptor family member nhr-49 0.1296 1 1
Echinococcus multilocularis cyclin dependent kinase 0.0053 0.0237 0.0112
Trichomonas vaginalis cyclin B, putative 0.0039 0.0126 0.1989
Echinococcus granulosus dual specificity serine:threonine tyrosine 0.0088 0.0512 0.0391
Echinococcus multilocularis thyroid hormone receptor alpha 0.1296 1 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.1296 1 1
Onchocerca volvulus Dual specificity protein kinase TTK homolog 0.0088 0.0512 0.0391
Trypanosoma cruzi cdc2-related kinase 3 0.0053 0.0237 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.1296 1 1
Loa Loa (eye worm) hypothetical protein 0.0611 0.4624 0.4624
Trichomonas vaginalis CAMK family protein kinase 0.0088 0.0512 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.1296 1 1
Schistosoma mansoni RAR-like nuclear receptor 0.1296 1 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.1296 1 1
Schistosoma mansoni retinoic acid receptor RXR 0.1296 1 1
Echinococcus multilocularis FTZ F1 alpha 0.1296 1 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0685 0.52 0.5138
Schistosoma mansoni thyroid hormone receptor 0.1296 1 1
Giardia lamblia Kinase, CMGC CDK 0.0053 0.0237 0.2871
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.1296 1 1
Echinococcus granulosus FTZ F1 alpha 0.1296 1 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.1296 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.0237 0.4289
Brugia malayi Nuclear hormone receptor family member nhr-19 0.1296 1 1
Brugia malayi nuclear receptor RXR 0.0611 0.4624 0.4555
Loa Loa (eye worm) hypothetical protein 0.0611 0.4624 0.4624
Schistosoma mansoni coup transcription factor 0.1296 1 1
Loa Loa (eye worm) hypothetical protein 0.0685 0.52 0.52
Echinococcus granulosus thyroid hormone receptor alpha 0.0611 0.4624 0.4555
Brugia malayi Nuclear hormone receptor family member nhr-25 0.1296 1 1
Schistosoma mansoni nuclear receptor 0.0611 0.4624 0.4555
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.0237 0.4289
Brugia malayi photoreceptor-specific nuclear receptor 0.1296 1 1
Loa Loa (eye worm) steroid hormone receptor 0.1296 1 1
Loa Loa (eye worm) hypothetical protein 0.1296 1 1
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0053 0.0237 1
Echinococcus multilocularis dual specificity serine:threonine tyrosine 0.0088 0.0512 0.0391
Trichomonas vaginalis cyclin B, putative 0.0039 0.0126 0.1989
Plasmodium falciparum protein kinase 5 0.0053 0.0237 0.5
Brugia malayi nuclear receptor NHR-88 0.1296 1 1
Schistosoma mansoni nuclear hormone receptor 0.0611 0.4624 0.4555
Echinococcus multilocularis cyclin dependent kinase 1 0.0053 0.0237 0.0112
Brugia malayi Protein kinase domain containing protein 0.0053 0.0237 0.0112
Loa Loa (eye worm) hypothetical protein 0.1296 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0611 0.4624 0.4555
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.1296 1 1
Loa Loa (eye worm) hypothetical protein 0.0611 0.4624 0.4624
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.1296 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.1296 1 1
Schistosoma mansoni thyroid hormone receptor 0.1296 1 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.1296 1 1
Echinococcus multilocularis ecdysone induced protein 78C 0.1296 1 1
Onchocerca volvulus 0.0611 0.4624 0.4555
Onchocerca volvulus Bile acid receptor homolog 0.1296 1 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.1296 1 1
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0611 0.4624 0.4555
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0685 0.52 0.52
Brugia malayi hypothetical protein 0.0685 0.52 0.5138
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.1296 1 1
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0053 0.0237 0.0237
Brugia malayi Nuclear hormone receptor family member nhr-3 0.1296 1 1
Loa Loa (eye worm) nuclear hormone receptor 0.0611 0.4624 0.4624
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0685 0.52 0.5138
Trypanosoma brucei cdc2-related kinase 3 0.0053 0.0237 1
Loa Loa (eye worm) hypothetical protein 0.1296 1 1
Echinococcus multilocularis nuclear receptor nhr 48 0.0611 0.4624 0.4555
Loa Loa (eye worm) hypothetical protein 0.0685 0.52 0.52
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0611 0.4624 0.4555
Schistosoma mansoni nuclear receptor 0.0611 0.4624 0.4555
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.1296 1 1
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0611 0.4624 0.4555
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0053 0.0237 0.0237
Brugia malayi Nuclear hormone receptor family member nhr-14 0.1296 1 1
Trypanosoma cruzi cdc2-related kinase 1 0.0053 0.0237 1
Schistosoma mansoni zinc finger protein 0.0611 0.4624 0.4555
Brugia malayi Nuclear hormone receptor-like 1 0.0685 0.52 0.5138
Loa Loa (eye worm) hypothetical protein 0.0611 0.4624 0.4624
Brugia malayi orphan nuclear receptor NR2E1 0.0611 0.4624 0.4555
Schistosoma mansoni dual specificity serine/threonine tyrosine kinase 0.0088 0.0512 0.0391
Loa Loa (eye worm) hypothetical protein 0.0611 0.4624 0.4624
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0053 0.0237 0.0112
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0611 0.4624 0.4555

Activities

Activity type Activity value Assay description Source Reference
Drug metabolism (ADMET) = 51 % Drug metabolism in human liver microsomes at 10 uM after 30 mins by LC-MS/MS analysis ChEMBL. 24256217
IC50 (binding) = 0.007 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) = 0.23 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 (binding) = 5.5 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

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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