Detailed information for compound 1827525

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 578.105 | Formula: C30H36ClN7O3
  • H donors: 1 H acceptors: 4 LogP: 4.73 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: CN(C1CCN(CC1)C(=O)c1ccc(c(c1)Cl)Nc1ncc2c(c1)n(C(=O)OC(C)(C)C)c(c2)c1cnn(c1)C)C
  • InChi: 1S/C30H36ClN7O3/c1-30(2,3)41-29(40)38-25(21-17-33-36(6)18-21)14-20-16-32-27(15-26(20)38)34-24-8-7-19(13-23(24)31)28(39)37-11-9-22(10-12-37)35(4)5/h7-8,13-18,22H,9-12H2,1-6H3,(H,32,34)
  • InChiKey: HKIZNKMCQOQZTI-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 aurora kinase A Starlite/ChEMBL References
Homo sapiens cyclin A2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis cyclins, putative Get druggable targets OG5_126649 All targets in OG5_126649
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 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
Schistosoma japonicum ko:K05501 TetR/AcrR family transcriptional regulator, putative Get druggable targets OG5_129339 All targets in OG5_129339
Trypanosoma brucei aurora B kinase Get druggable targets OG5_127024 All targets in OG5_127024
Leishmania braziliensis 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
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
Trypanosoma brucei cdc2-related kinase 3 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
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Leishmania mexicana cell division protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Plasmodium yoelii Protein kinase domain, putative Get druggable targets OG5_127024 All targets in OG5_127024
Echinococcus granulosus cyclin dependent kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus granulosus serine:threonine protein kinase 12 B 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
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Neospora caninum CMGC kinase, CDK family TgPK2, putative Get druggable targets OG5_126712 All targets in OG5_126712
Giardia lamblia Aurora kinase Get druggable targets OG5_127024 All targets in OG5_127024
Echinococcus multilocularis cyclin dependent 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
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
Plasmodium berghei cdc2-related kinase 2 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
Brugia malayi serine/threonine protein kinase 6 Get druggable targets OG5_127024 All targets in OG5_127024
Schistosoma mansoni 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) AUR protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Plasmodium vivax serine/threonine protein kinase 6, putative Get druggable targets OG5_127024 All targets in OG5_127024
Trypanosoma cruzi cyclin, 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
Cryptosporidium parvum cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania braziliensis protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Babesia bovis cell division control protein 2, putative 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
Trichomonas vaginalis cyclin B, putative 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
Leishmania donovani CYC2-like 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
Trypanosoma cruzi cyclin, 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
Schistosoma japonicum Serine/threonine-protein kinase 12, putative Get druggable targets OG5_127024 All targets in OG5_127024
Leishmania braziliensis cell division related protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Trichomonas vaginalis AGC family protein 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 cruzi aurora B kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Trichomonas vaginalis CAMK family protein kinase 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
Trichomonas vaginalis cyclins, putative Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania infantum cyclin 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
Candida albicans protein threonine/tyrosine kinase Get druggable targets OG5_129339 All targets in OG5_129339
Cryptosporidium parvum protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Plasmodium vivax protein kinase Crk2 Get druggable targets OG5_126712 All targets in OG5_126712
Trichomonas vaginalis cyclins, putative 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
Trichomonas vaginalis cyclin B, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Trypanosoma cruzi cdc2-related kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Loa Loa (eye worm) AUR protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Loa Loa (eye worm) hypothetical 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
Plasmodium yoelii putative protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Leishmania major 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
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 braziliensis cell division protein kinase 2,cdc2-related kinase 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
Leishmania infantum cell division related protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Entamoeba histolytica protein kinase domain containing protein Get druggable targets OG5_127024 All targets in OG5_127024
Echinococcus multilocularis aurora kinase A Get druggable targets OG5_127024 All targets in OG5_127024
Schistosoma japonicum ko:K02087 cyclin-dependent kinase 1, putative Get druggable targets OG5_126712 All targets in OG5_126712
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 cruzi cdc2-related kinase 3 Get druggable targets OG5_126712 All targets in OG5_126712
Schistosoma mansoni cyclin B Get druggable targets OG5_126649 All targets in OG5_126649
Brugia malayi serine/threonine kinase 12 Get druggable targets OG5_127024 All targets in OG5_127024
Cryptosporidium parvum Cdc2-like CDK2/CDC28 like protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Onchocerca volvulus Dual specificity protein kinase TTK homolog 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
Echinococcus granulosus dual specificity serine:threonine tyrosine Get druggable targets OG5_129339 All targets in OG5_129339
Leishmania major protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126712 All targets in OG5_126712
Trichomonas vaginalis cyclins, putative Get druggable targets OG5_126649 All targets in OG5_126649
Schistosoma japonicum ko:K02090 cyclin-dependent kinase 5, putative Get druggable targets OG5_126712 All targets in OG5_126712
Plasmodium knowlesi serine/threonine protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Entamoeba histolytica protein kinase , putative Get druggable targets OG5_127024 All targets in OG5_127024
Echinococcus multilocularis cyclin dependent kinase 5 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 multilocularis cyclin B Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania donovani cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania mexicana cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania donovani Aurora I-related kinase Get druggable targets OG5_127024 All targets in OG5_127024
Plasmodium falciparum protein kinase 5 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
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
Leishmania infantum cell division 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
Trypanosoma brucei cdc2-related kinase 1 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
Leishmania infantum protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Trypanosoma cruzi cyclin 6, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma brucei gambiense protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
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
Plasmodium knowlesi Cell division control protein 2 homolog 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 dependent kinase 5 Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania major cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Cryptosporidium hominis protein kinase (EC 2.7.1.-) p46XlEg22 Get druggable targets OG5_127024 All targets in OG5_127024
Leishmania mexicana protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Brugia malayi Cyclin, N-terminal domain containing protein Get druggable targets OG5_126649 All targets in OG5_126649
Echinococcus multilocularis cyclin dependent 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
Giardia lamblia Kinase, CMGC CDK Get druggable targets OG5_126712 All targets in OG5_126712
Schistosoma mansoni dual specificity serine/threonine tyrosine kinase Get druggable targets OG5_129339 All targets in OG5_129339
Trichomonas vaginalis CMGC family 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
Onchocerca volvulus Get druggable targets OG5_126649 All targets in OG5_126649
Schistosoma japonicum ko:K08850 aurora kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Entamoeba histolytica cell division protein kinase 2, putative 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 cyclin A, putative 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
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania infantum CYC2-like cyclin, putative,cyclin 6, putative Get druggable targets OG5_126649 All targets in OG5_126649
Echinococcus granulosus aurora kinase A Get druggable targets OG5_127024 All targets in OG5_127024
Trypanosoma congolense cdc2-related kinase 1, putative Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma congolense aurora B kinase Get druggable targets OG5_127024 All targets in OG5_127024
Echinococcus granulosus cyclin B 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
Leishmania braziliensis cyclin 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
Leishmania donovani cdc2-related kinase 3, 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
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 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 congolense Cyclin, N-terminal domain/Cyclin, C-terminal domain containing protein, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Trypanosoma brucei gambiense cell division related protein kinase 2, putative,CDC2-related protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Theileria parva cell division control protein 2 related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus multilocularis serine:threonine protein kinase 12 B Get druggable targets OG5_127024 All targets in OG5_127024
Plasmodium berghei serine/threonine protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Plasmodium yoelii cdc2-related kinase 2 Get druggable targets OG5_126712 All targets in OG5_126712
Entamoeba histolytica cyclin, 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
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
Brugia malayi serine/threonine-protein kinase 6 Get druggable targets OG5_127024 All targets in OG5_127024
Giardia lamblia Kinase, TTK 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
Echinococcus granulosus cyclin dependent kinase 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
Neospora caninum hypothetical protein Get druggable targets OG5_127024 All targets in OG5_127024
Trichomonas vaginalis cyclins, putative Get druggable targets OG5_126649 All targets in OG5_126649
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 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
Trypanosoma brucei gambiense cyclin 6,mitotic cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Brugia malayi Protein kinase domain containing protein 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
Plasmodium falciparum serine/threonine protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Trypanosoma congolense cdc2-related kinase 3, putative Get druggable targets OG5_126712 All targets in OG5_126712
Trichomonas vaginalis AGC family protein kinase 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 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 cyclins, putative 0.0039 0.2276 0.1971
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0027 0.0609 0.5
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0053 0.4352 0.3986
Schistosoma mansoni cyclin B 0.0039 0.2276 0.1916
Trypanosoma brucei mitotic cyclin 6 0.0039 0.2276 0.1776
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0027 0.0609 0.5
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0093 1 1
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0027 0.0609 0.5
Trichomonas vaginalis cyclins, putative 0.0039 0.2276 0.1971
Trichomonas vaginalis CAMK family protein kinase 0.0088 0.931 1
Brugia malayi serine/threonine kinase 12 0.0069 0.6621 0.6402
Mycobacterium leprae putative cytochrome p450 0.0027 0.0609 0.5
Brugia malayi Protein kinase domain containing protein 0.0053 0.4352 0.3986
Trichomonas vaginalis AGC family protein kinase 0.0069 0.6621 0.693
Giardia lamblia Kinase, CMGC CDK 0.0053 0.4352 0.2951
Loa Loa (eye worm) CYP4Cod1 0.0093 1 1
Entamoeba histolytica protein kinase, putative 0.0069 0.6621 1
Brugia malayi Cyclin, N-terminal domain containing protein 0.0039 0.2276 0.1776
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0027 0.0609 0.5
Echinococcus granulosus dual specificity serine:threonine tyrosine 0.0088 0.931 1
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0027 0.0609 0.5
Echinococcus granulosus aurora kinase A 0.0069 0.6621 0.6909
Echinococcus multilocularis aurora kinase A 0.0069 0.6621 0.6909
Echinococcus multilocularis cyclin dependent kinase 0.0053 0.4352 0.4302
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0053 0.4352 0.3986
Trichomonas vaginalis CAMK family protein kinase 0.0088 0.931 1
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0027 0.0609 0.5
Trichomonas vaginalis cyclins, putative 0.0039 0.2276 0.1971
Brugia malayi serine/threonine-protein kinase 6 0.0069 0.6621 0.6402
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0069 0.6621 0.6909
Trichomonas vaginalis cyclin B, putative 0.0039 0.2276 0.1971
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0053 0.4352 0.4352
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0069 0.6621 1
Entamoeba histolytica protein kinase, putative 0.0069 0.6621 1
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0027 0.0609 0.5
Leishmania major protein kinase, putative 0.0069 0.6621 0.6402
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0027 0.0609 0.5
Trypanosoma cruzi cdc2-related kinase 1 0.0053 0.4352 0.3986
Trichomonas vaginalis AGC family protein kinase 0.0069 0.6621 0.693
Echinococcus granulosus cyclin dependent kinase 1 0.0053 0.4352 0.4302
Brugia malayi Protein kinase domain containing protein 0.0088 0.931 0.9266
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0053 0.4352 0.4352
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0027 0.0609 0.5
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0027 0.0609 0.5
Echinococcus multilocularis cyclin dependent kinase 5 0.0053 0.4352 0.4302
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0027 0.0609 0.5
Entamoeba histolytica cell division protein kinase 2, putative 0.0053 0.4352 0.4777
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0027 0.0609 0.5
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0027 0.0609 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.4352 0.434
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0027 0.0609 0.5
Giardia lamblia Kinase, CMGC CDK 0.0053 0.4352 0.2951
Loa Loa (eye worm) cytochrome P450 family protein 0.0093 1 1
Trypanosoma cruzi CYC2-like cyclin, putative 0.0039 0.2276 0.1776
Brugia malayi serine/threonine protein kinase 6 0.0069 0.6621 0.6402
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.0039 0.2276 0.1776
Trichomonas vaginalis cyclin A, putative 0.0039 0.2276 0.1971
Loa Loa (eye worm) cytochrome P450 0.0027 0.0609 0.0609
Loa Loa (eye worm) cytochrome P450 family protein 0.0093 1 1
Entamoeba histolytica cell division protein kinase 2, putative 0.0053 0.4352 0.4777
Trichomonas vaginalis AGC family protein kinase 0.0069 0.6621 0.693
Trypanosoma cruzi cytochrome P450, putative 0.0093 1 1
Echinococcus granulosus cyclin B 0.0039 0.2276 0.1916
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.4352 0.434
Trypanosoma cruzi cytochrome P450, putative 0.0093 1 1
Onchocerca volvulus Dual specificity protein kinase TTK homolog 0.0088 0.931 1
Schistosoma mansoni dual specificity serine/threonine tyrosine kinase 0.0088 0.931 1
Trypanosoma brucei aurora B kinase 0.0069 0.6621 0.6402
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0027 0.0609 0.5
Trypanosoma cruzi cyclin 6, putative 0.0039 0.2276 0.1776
Loa Loa (eye worm) AUR protein kinase 0.0069 0.6621 0.6621
Loa Loa (eye worm) cytochrome P450 family protein 0.0027 0.0609 0.0609
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0027 0.0609 0.5
Loa Loa (eye worm) hypothetical protein 0.0039 0.2276 0.2276
Loa Loa (eye worm) hypothetical protein 0.0052 0.4115 0.4115
Trypanosoma cruzi cdc2-related kinase 3 0.0053 0.4352 0.3986
Loa Loa (eye worm) hypothetical protein 0.0039 0.2276 0.2276
Giardia lamblia Aurora kinase 0.0069 0.6621 0.6176
Schistosoma mansoni serine/threonine protein kinase 0.0069 0.6621 0.6909
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0053 0.4352 0.4352
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0069 0.6621 1
Trypanosoma cruzi cyclin, putative 0.0039 0.2276 0.1776
Loa Loa (eye worm) AUR protein kinase 0.0069 0.6621 0.6621
Brugia malayi Cytochrome P450 family protein 0.0093 1 1
Plasmodium falciparum serine/threonine protein kinase, putative 0.0069 0.6621 1
Leishmania major cyclin 0.0039 0.2276 0.1776
Entamoeba histolytica protein kinase , putative 0.0069 0.6621 1
Trichomonas vaginalis cyclin B, putative 0.0039 0.2276 0.1971
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0069 0.6621 1
Loa Loa (eye worm) TTK protein kinase 0.0088 0.931 0.931
Trichomonas vaginalis AGC family protein kinase 0.0069 0.6621 0.693
Brugia malayi cell division control protein 2 homolog 0.0053 0.4352 0.3986
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0027 0.0609 0.5
Trypanosoma brucei cdc2-related kinase 1 0.0053 0.4352 0.3986
Leishmania major cytochrome p450-like protein 0.0093 1 1
Trichomonas vaginalis cyclin B, putative 0.0039 0.2276 0.1971
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0053 0.4352 0.6226
Giardia lamblia Kinase, TTK 0.0088 0.931 1
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.4352 0.434
Trypanosoma cruzi cdc2-related kinase 1 0.0053 0.4352 0.3986
Echinococcus granulosus cyclin dependent kinase 0.0053 0.4352 0.4302
Entamoeba histolytica protein kinase domain containing protein 0.0069 0.6621 1
Trypanosoma cruzi aurora B kinase, putative 0.0069 0.6621 0.6402
Schistosoma mansoni serine/threonine protein kinase 0.0053 0.4352 0.4302
Mycobacterium leprae Conserved hypothetical protein 0.0027 0.0609 0.5
Trypanosoma cruzi cyclin, putative 0.0039 0.2276 0.1776
Loa Loa (eye worm) hypothetical protein 0.0066 0.6207 0.6207
Echinococcus granulosus cyclin dependent kinase 5 0.0053 0.4352 0.4302
Schistosoma mansoni protein kinase 0.0069 0.6621 0.6909
Trichomonas vaginalis cyclin B, putative 0.0039 0.2276 0.1971
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0027 0.0609 0.5
Trypanosoma brucei cdc2-related kinase 3 0.0053 0.4352 0.3986
Echinococcus multilocularis cyclin B 0.0039 0.2276 0.1916
Echinococcus multilocularis cyclin dependent kinase 1 0.0053 0.4352 0.4302
Loa Loa (eye worm) AUR protein kinase 0.0069 0.6621 0.6621
Echinococcus multilocularis dual specificity serine:threonine tyrosine 0.0088 0.931 1
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0027 0.0609 0.5
Brugia malayi Cyclin, N-terminal domain containing protein 0.0039 0.2276 0.1776
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0053 0.4352 0.4302
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0027 0.0609 0.5
Trypanosoma brucei cytochrome P450, putative 0.0093 1 1
Toxoplasma gondii aurora kinase 0.0069 0.6621 1
Echinococcus multilocularis cyclin dependent kinase 1 0.0053 0.4352 0.4302
Schistosoma mansoni serine/threonine protein kinase 0.0053 0.4352 0.4302
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0069 0.6621 0.6909
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0069 0.6621 1
Trypanosoma cruzi cdc2-related kinase 3 0.0053 0.4352 0.3986
Trichomonas vaginalis cyclins, putative 0.0039 0.2276 0.1971

Activities

Activity type Activity value Assay description Source Reference
Drug metabolism (ADMET) = 96 % Drug metabolism in human liver microsomes at 10 uM after 30 mins by LC-MS/MS analysis ChEMBL. 24256217
IC50 (binding) = 0.004 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) = 0.68 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) = 1.1 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) = 17 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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