Detailed information for compound 928488

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 481.59 | Formula: C23H23N5O3S2
  • H donors: 3 H acceptors: 4 LogP: 2.89 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(c1cscc1)N1CCCC1)Nc1ccc2c(c1)c(n[nH]2)c1cccc(c1)S(=O)(=O)N
  • InChi: 1S/C23H23N5O3S2/c24-33(30,31)18-5-3-4-15(12-18)21-19-13-17(6-7-20(19)26-27-21)25-23(29)22(16-8-11-32-14-16)28-9-1-2-10-28/h3-8,11-14,22H,1-2,9-10H2,(H,25,29)(H,26,27)(H2,24,30,31)
  • InChiKey: JBZRAEUHDPMQSF-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 TTK protein kinase Starlite/ChEMBL References
Homo sapiens aurora kinase A Starlite/ChEMBL References
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 19 Starlite/ChEMBL References
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 9 Starlite/ChEMBL References
Homo sapiens aurora kinase B Starlite/ChEMBL References
Homo sapiens checkpoint kinase 2 Starlite/ChEMBL References
Homo sapiens polo-like kinase 2 Starlite/ChEMBL References
Homo sapiens cytochrome P450, family 1, subfamily A, polypeptide 2 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 polo-like kinase 4 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis dual specificity serine:threonine tyrosine Get druggable targets OG5_129339 All targets in OG5_129339
Echinococcus multilocularis serine:threonine protein kinase Chk2 Get druggable targets OG5_128695 All targets in OG5_128695
Onchocerca volvulus Serine\/threonine kinase homolog Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus calcium:calmodulin dependent protein kinase I Get druggable targets OG5_128695 All targets in OG5_128695
Schistosoma japonicum ko:K06631 polo-like kinase 1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) cytochrome P450 family protein 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
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Toxoplasma gondii aurora kinase Get druggable targets OG5_127024 All targets in OG5_127024
Giardia lamblia Aurora kinase Get druggable targets OG5_127024 All targets in OG5_127024
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma mansoni dual specificity serine/threonine tyrosine kinase Get druggable targets OG5_129339 All targets in OG5_129339
Candida albicans cytochrome P450 556 Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania mexicana protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania major protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi serine/threonine-protein kinase plk-2 Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) AUR protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans protein threonine/tyrosine kinase Get druggable targets OG5_129339 All targets in OG5_129339
Entamoeba histolytica serine/threonine- protein kinase 6, putative Get druggable targets OG5_127024 All targets in OG5_127024
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
Onchocerca volvulus Dual specificity protein kinase TTK homolog Get druggable targets OG5_129339 All targets in OG5_129339
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus Serine:threonine protein kinase PLK4 Get druggable targets OG5_134726 All targets in OG5_134726
Loa Loa (eye worm) PLK/PLK1 protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) AUR protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
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
Leishmania braziliensis cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Giardia lamblia Kinase, TTK Get druggable targets OG5_129339 All targets in OG5_129339
Entamoeba histolytica serine/threonine protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans protein kinase Get druggable targets OG5_128695 All targets in OG5_128695
Schistosoma japonicum Serine/threonine-protein kinase 12, putative Get druggable targets OG5_127024 All targets in OG5_127024
Loa Loa (eye worm) CYP4Cod1 Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus granulosus dual specificity serine:threonine tyrosine Get druggable targets OG5_129339 All targets in OG5_129339
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma japonicum ko:K05501 TetR/AcrR family transcriptional regulator, putative Get druggable targets OG5_129339 All targets in OG5_129339
Echinococcus granulosus serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania major protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Leishmania mexicana cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Plasmodium falciparum serine/threonine protein kinase, putative 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 mansoni kinase Get druggable targets OG5_134726 All targets in OG5_134726
Entamoeba histolytica serine/threonine- protein kinase 6 , putative Get druggable targets OG5_127024 All targets in OG5_127024
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei gambiense cytochrome P450, putative 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
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_129339 All targets in OG5_129339
Leishmania braziliensis protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans kinase involved in DNA repair Get druggable targets OG5_128695 All targets in OG5_128695
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
Plasmodium vivax serine/threonine protein kinase 6, putative 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
Echinococcus multilocularis Serine:threonine protein kinase PLK4 Get druggable targets OG5_134726 All targets in OG5_134726
Schistosoma japonicum Serine/threonine-protein kinase PLK1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi serine/threonine protein kinase 6 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 mansoni serine/threonine protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_128695 All targets in OG5_128695
Leishmania donovani Aurora I-related 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
Trypanosoma brucei gambiense polo-like protein kinase,protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
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
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus aurora kinase A Get druggable targets OG5_127024 All targets in OG5_127024
Echinococcus granulosus serine:threonine protein kinase Chk2 Get druggable targets OG5_128695 All targets in OG5_128695
Entamoeba histolytica protein 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
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium berghei serine/threonine protein kinase, putative 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
Neospora caninum hypothetical protein Get druggable targets OG5_127024 All targets in OG5_127024
Plasmodium knowlesi serine/threonine protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Candida albicans protein kinase Get druggable targets OG5_128695 All targets in OG5_128695
Schistosoma japonicum Serine/threonine-protein kinase PLK4, putative Get druggable targets OG5_134726 All targets in OG5_134726
Leishmania donovani cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus multilocularis serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium yoelii Protein kinase domain, 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
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_128695 All targets in OG5_128695
Brugia malayi serine/threonine kinase 12 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 polo-like protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Giardia lamblia Kinase, PLK Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma japonicum ko:K06641 serine/threonine-protein kinase Chk2, putative Get druggable targets OG5_128695 All targets in OG5_128695
Cryptosporidium hominis protein kinase (EC 2.7.1.-) p46XlEg22 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
Leishmania infantum protein kinase, putative 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
Trypanosoma brucei aurora B kinase 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
Trypanosoma brucei gambiense protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania infantum cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Entamoeba histolytica protein kinase domain containing protein Get druggable targets OG5_127024 All targets in OG5_127024
Cryptosporidium parvum protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Candida albicans cytochrome P450 56 Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) TTK protein kinase Get druggable targets OG5_129339 All targets in OG5_129339
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K08850 aurora kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Schistosoma japonicum Serine/threonine-protein kinase PLK4, putative Get druggable targets OG5_134726 All targets in OG5_134726
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_129339 All targets in OG5_129339
Loa Loa (eye worm) AUR protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
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
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans kinase involved in DNA repair Get druggable targets OG5_128695 All targets in OG5_128695
Trichomonas vaginalis AGC family protein kinase 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
Leishmania infantum protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus multilocularis calcium:calmodulin dependent protein kinase I Get druggable targets OG5_128695 All targets in OG5_128695
Trichomonas vaginalis AGC family protein kinase 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
Trypanosoma brucei cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_128695 All targets in OG5_128695
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 cytochrome P450, family 2, subfamily C, polypeptide 9 490 aa 441 aa 21.8 %
Leishmania major cytochrome p450-like protein cytochrome P450, family 2, subfamily C, polypeptide 19 490 aa 411 aa 23.1 %
Brugia malayi cytochrome P450 cytochrome P450, family 2, subfamily D, polypeptide 6 497 aa 425 aa 32.0 %
Trypanosoma brucei mitogen-activated protein kinase 5 aurora kinase B 303 aa 299 aa 22.1 %
Brugia malayi cytochrome P450 cytochrome P450, family 3, subfamily A, polypeptide 4 502 aa 492 aa 24.2 %
Brugia malayi Cytochrome P450 family protein cytochrome P450, family 1, subfamily A, polypeptide 2 516 aa 470 aa 26.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni serine/threonine protein kinase 0.0138 0.4678 0.4678
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0138 0.4678 0.7355
Trichomonas vaginalis CAMK family protein kinase 0.0174 0.636 1
Brugia malayi Protein kinase domain containing protein 0.0089 0.2418 0.3802
Entamoeba histolytica protein kinase , putative 0.0138 0.4678 0.7125
Trichomonas vaginalis CAMK family protein kinase 0.0174 0.636 1
Trichomonas vaginalis AGC family protein kinase 0.0138 0.4678 0.6861
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0174 0.636 1
Echinococcus multilocularis aurora kinase A 0.0138 0.4678 0.7355
Trypanosoma brucei polo-like protein kinase 0.0174 0.636 1
Brugia malayi serine/threonine-protein kinase 6 0.0138 0.4678 0.7355
Brugia malayi Cytochrome P450 family protein 0.0067 0.14 0.2201
Echinococcus granulosus dual specificity serine:threonine tyrosine 0.0089 0.2418 0.3802
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0138 0.4678 0.7125
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0174 0.636 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0067 0.14 0.2201
Trichomonas vaginalis AGC family protein kinase 0.0138 0.4678 0.6861
Schistosoma mansoni serine/threonine protein kinase 0.0174 0.636 0.636
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0138 0.4678 0.7125
Echinococcus multilocularis serine:threonine protein kinase Chk2 0.0048 0.0508 0.0799
Schistosoma mansoni protein kinase 0.0138 0.4678 0.4678
Echinococcus multilocularis dual specificity serine:threonine tyrosine 0.0089 0.2418 0.3802
Brugia malayi serine/threonine protein kinase 6 0.0138 0.4678 0.7355
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0138 0.4678 0.5
Trypanosoma cruzi polo-like protein kinase, putative 0.0174 0.636 1
Giardia lamblia Kinase, PLK 0.0174 0.636 1
Echinococcus granulosus calcium:calmodulin dependent protein kinase I 0.0048 0.0507 0.0798
Trichomonas vaginalis CAMK family protein kinase 0.0174 0.636 1
Plasmodium falciparum serine/threonine protein kinase, putative 0.0138 0.4678 0.5
Echinococcus multilocularis calcium:calmodulin dependent protein kinase I 0.0048 0.0507 0.0798
Onchocerca volvulus Dual specificity protein kinase TTK homolog 0.0089 0.2418 0.3802
Loa Loa (eye worm) AUR protein kinase 0.0138 0.4678 0.7355
Toxoplasma gondii aurora kinase 0.0138 0.4678 0.5
Echinococcus granulosus Serine:threonine protein kinase PLK4 0.0137 0.4641 0.7297
Echinococcus granulosus aurora kinase A 0.0138 0.4678 0.7355
Loa Loa (eye worm) AUR protein kinase 0.0138 0.4678 0.7355
Schistosoma mansoni serine/threonine protein kinase 0.0048 0.0508 0.0508
Schistosoma mansoni dual specificity serine/threonine tyrosine kinase 0.0089 0.2418 0.2418
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0174 0.636 1
Entamoeba histolytica protein kinase, putative 0.0138 0.4678 0.7125
Echinococcus granulosus serine:threonine protein kinase Chk2 0.0048 0.0508 0.0799
Trypanosoma cruzi polo-like protein kinase, putative 0.0174 0.636 1
Trichomonas vaginalis AGC family protein kinase 0.0138 0.4678 0.6861
Onchocerca volvulus Serine\/threonine kinase homolog 0.0174 0.636 1
Trichomonas vaginalis CAMK family protein kinase 0.0089 0.2418 0.2644
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0138 0.4678 0.7355
Entamoeba histolytica protein kinase domain containing protein 0.0138 0.4678 0.7125
Brugia malayi serine/threonine-protein kinase plk-2 0.0174 0.636 1
Trichomonas vaginalis CAMK family protein kinase 0.0174 0.636 1
Echinococcus multilocularis Serine:threonine protein kinase PLK4 0.0137 0.4641 0.7297
Loa Loa (eye worm) AUR protein kinase 0.0138 0.4678 0.7355
Trichomonas vaginalis AGC family protein kinase 0.0138 0.4678 0.6861
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0138 0.4678 0.7125
Brugia malayi serine/threonine kinase 12 0.0138 0.4678 0.7355
Entamoeba histolytica serine/threonine protein kinase, putative 0.0174 0.636 1
Trichomonas vaginalis CAMK family protein kinase 0.0174 0.636 1
Entamoeba histolytica protein kinase, putative 0.0138 0.4678 0.7125
Trichomonas vaginalis CAMK family protein kinase 0.0174 0.636 1
Trichomonas vaginalis CAMK family protein kinase 0.0089 0.2418 0.2644
Loa Loa (eye worm) TTK protein kinase 0.0089 0.2418 0.3802
Trichomonas vaginalis CAMK family protein kinase 0.0174 0.636 1
Giardia lamblia Aurora kinase 0.0138 0.4678 0.5732
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0174 0.636 1

Activities

Activity type Activity value Assay description Source Reference
Cmax (ADMET) = 0.007 ug ml-1 Cmax in athymic CD1 nude mouse at 10 mg/kg, po by LC-MS/MS analysis ChEMBL. 25763473
EC50 (binding) = 0.42 uM Inhibition of TTK in human HCT116 cells assessed as phosphorylation of histone H3 at Ser10 residue after 4 hrs by immunoassay ChEMBL. 25043312
GI50 (functional) = 0.087 uM Cytotoxicity against human MDA-MB-468 cells after 5 days by sulforhodamine B assay ChEMBL. 25763473
GI50 (functional) = 0.09 uM Growth inhibition of human MDA-MB-468 cells after 5 days by SRB assay ChEMBL. 25043312
IC50 (binding) = 0.0029 uM Inhibition of SUMO-tagged human TTK (1-275 residues) compound pre-incubated for 15 mins prior ATP addition by MBP-based assay ChEMBL. 25043312
IC50 (binding) = 0.0029 uM Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by indirect ELISA detection system ChEMBL. 25763473
IC50 (binding) = 0.089 uM Inhibition of GST-tagged human PLK4 (1-391 residues) phosphorylation by ELISA ChEMBL. 25043312
IC50 (binding) = 0.1 uM Inhibition of CHK2 (unknown origin) by FRET-based homogenous assay ChEMBL. 25043312
IC50 (binding) = 0.72 uM Inhibition of Aurora B (unknown origin) by FRET-based homogenous assay ChEMBL. 25043312
IC50 (binding) = 0.9 uM Inhibition of Aurora A (unknown origin) by FRET-based homogenous assay ChEMBL. 25043312
IC50 (ADMET) = 0.9 uM Inhibition of CYP2C9 in supersomes (unknown origin) using MFC as substrate after 30 mins ChEMBL. 25043312
IC50 (ADMET) > 1 uM Inhibition of CYP3A4 in supersomes (unknown origin) using Dibenzylfluorescein as substrate after 10 mins ChEMBL. 25043312
IC50 (ADMET) = 4 uM Inhibition of CYP3A4 in supersomes (unknown origin) using 7-benzyloxy-4-trifluoromethylcoumarin as substrate after 30 mins ChEMBL. 25043312
IC50 (ADMET) = 5.3 uM Inhibition of CYP2C19 in supersomes (unknown origin) using MFC as substrate after 30 mins ChEMBL. 25043312
IC50 (binding) = 10 uM Inhibition of PLK2 (unknown origin) by FRET-based homogenous assay ChEMBL. 25043312
IC50 (ADMET) > 10 uM Inhibition of CYP1A2 in supersomes (unknown origin) using CEC as substrate after 30 mins ChEMBL. 25043312
IC50 (ADMET) = 10 uM Inhibition of CYP2D6 in supersomes (unknown origin) using AMMC as substrate after 30 mins ChEMBL. 25043312
IC50 (binding) > 50 uM Inhibition of PLK1 (unknown origin) by FRET-based homogenous assay ChEMBL. 25043312
IC50 (binding) > 50 uM Inhibition of PLK3 (unknown origin) by FRET-based homogenous assay ChEMBL. 25043312
Inhibition (binding) = -46 % Inhibition of human IGF-1R at 1 uM by radiometric Assay ChEMBL. 25043312
Inhibition (binding) = -34 % Inhibition of human MAPKAP-K2 at 1 uM by radiometric Assay ChEMBL. 25043312
Inhibition (binding) = -34 % Inhibition of human PDGFRbeta at 1 uM by radiometric Assay ChEMBL. 25043312
Inhibition (binding) = -28 % Inhibition of human SAPK2a at 1 uM by radiometric Assay ChEMBL. 25043312
Inhibition (binding) = -17 % Inhibition of human Abl at 1 uM by radiometric Assay ChEMBL. 25043312
Inhibition (binding) = -12 % Inhibition of human EphB4 at 1 uM by radiometric Assay ChEMBL. 25043312
Inhibition (binding) = -10 % Inhibition of human cSRC at 1 uM by radiometric Assay ChEMBL. 25043312
Inhibition (binding) = -9 % Inhibition of human PAK3 at 1 uM by radiometric Assay ChEMBL. 25043312
Inhibition (binding) = -4 % Inhibition of human CDK1/cyclinB at 1 uM by radiometric Assay ChEMBL. 25043312
Inhibition (binding) = -3 % Inhibition of human CSK at 1 uM by radiometric Assay ChEMBL. 25043312
Inhibition (binding) = -3 % Inhibition of human PKCalpha at 1 uM by radiometric Assay ChEMBL. 25043312
Inhibition (binding) = -3 % Inhibition of human Syk at 1 uM by radiometric Assay ChEMBL. 25043312
Inhibition (binding) = -2 % Inhibition of human BRK at 1 uM by radiometric Assay ChEMBL. 25043312
Inhibition (binding) = -1 % Inhibition of human CHK1 at 1 uM by radiometric Assay ChEMBL. 25043312
Inhibition (binding) = 0 % Inhibition of human IRAK4 at 1 uM by radiometric Assay ChEMBL. 25043312
Inhibition (binding) = 1 % Inhibition of human CaMKIV at 1 uM by radiometric Assay ChEMBL. 25043312
Inhibition (binding) = 1 % Inhibition of human PKCbeta2 at 1 uM by radiometric Assay ChEMBL. 25043312
Inhibition (binding) = 2 % Inhibition of human IR at 1 uM by radiometric Assay ChEMBL. 25043312
Inhibition (binding) = 2 % Inhibition of human PKCbeta1 at 1 uM by radiometric Assay ChEMBL. 25043312
Inhibition (binding) = 3 % Inhibition of human CDK5/p25 at 1 uM by radiometric Assay ChEMBL. 25043312
Inhibition (binding) = 3 % Inhibition of human Flt3 at 1 uM by radiometric Assay ChEMBL. 25043312
Inhibition (binding) = 3 % Inhibition of human Lyn at 1 uM by radiometric Assay ChEMBL. 25043312
Inhibition (binding) = 6 % Inhibition of human IKKalpha at 1 uM by radiometric Assay ChEMBL. 25043312
Inhibition (binding) = 7 % Inhibition of human SGK at 1 uM by radiometric Assay ChEMBL. 25043312
Inhibition (binding) = 8 % Inhibition of human Lck at 1 uM by radiometric Assay ChEMBL. 25043312
Inhibition (binding) = 8 % Inhibition of human PKBalpha at 1 uM by radiometric Assay ChEMBL. 25043312
Inhibition (binding) = 9 % Inhibition of human Fyn at 1 uM by radiometric Assay ChEMBL. 25043312
Inhibition (binding) = 9 % Inhibition of human PKCgamma at 1 uM by radiometric Assay ChEMBL. 25043312
Inhibition (binding) = 10 % Inhibition of human Bmx at 1 uM by radiometric Assay ChEMBL. 25043312
Inhibition (binding) = 10 % Inhibition of human NEK2 at 1 uM by radiometric Assay ChEMBL. 25043312
Inhibition (binding) = 10 % Inhibition of human Pim-2 at 1 uM by radiometric Assay ChEMBL. 25043312
Inhibition (binding) = 10 % Inhibition of human SAPK4 at 1 uM by radiometric Assay ChEMBL. 25043312
Inhibition (binding) = 11 % Inhibition of human SAPK3 at 1 uM by radiometric Assay ChEMBL. 25043312
Inhibition (binding) = 13 % Inhibition of human MEK1 at 1 uM by radiometric Assay ChEMBL. 25043312
Inhibition (binding) = 14 % Inhibition of human CaMKIIbeta at 1 uM by radiometric Assay ChEMBL. 25043312
Inhibition (binding) = 14 % Inhibition of human FGFR4 at 1 uM by radiometric Assay ChEMBL. 25043312
Inhibition (binding) = 16 % Inhibition of human ROCK2 at 1 uM by radiometric Assay ChEMBL. 25043312
Inhibition (binding) = 25 % Inhibition of human DAPK2 at 1 uM by radiometric Assay ChEMBL. 25043312
Inhibition (binding) = 27 % Inhibition of human Met at 1 uM by radiometric Assay ChEMBL. 25043312
Inhibition (binding) = 30 % Inhibition of human AMPKalpha1 at 1 uM by radiometric Assay ChEMBL. 25043312
Inhibition (binding) = 31 % Inhibition of human DAPK1 at 1 uM by radiometric Assay ChEMBL. 25043312
Inhibition (binding) = 33 % Inhibition of human Rsk2 at 1 uM by radiometric Assay ChEMBL. 25043312
Inhibition (binding) = 34 % Inhibition of human PDK1 at 1 uM by radiometric Assay ChEMBL. 25043312
Inhibition (binding) = 42 % Inhibition of human Pim-1 at 1 uM by radiometric Assay ChEMBL. 25043312
Inhibition (binding) = 48 % Inhibition of human JNK2alpha2 at 1 uM by radiometric Assay ChEMBL. 25043312
Inhibition (binding) = 51 % Inhibition of human Aurora-A at 1 uM by radiometric Assay ChEMBL. 25043312
Inhibition (binding) = 56 % Inhibition of human MAPK1 at 1 uM by radiometric Assay ChEMBL. 25043312
Inhibition (binding) = 57 % Inhibition of human MAPK2 at 1 uM by radiometric Assay ChEMBL. 25043312
Inhibition (binding) = 63 % Inhibition of human TrkA at 1 uM by radiometric Assay ChEMBL. 25043312
Inhibition (binding) = 66 % Inhibition of human Flt1 at 1 uM by radiometric Assay ChEMBL. 25043312
Inhibition (binding) = 70 % Inhibition of human FGFR1 at 1 uM by radiometric Assay ChEMBL. 25043312
Inhibition (binding) = 70 % Inhibition of human KDR at 1 uM by radiometric Assay ChEMBL. 25043312
Inhibition (binding) = 76 % Inhibition of human Ret at 1 uM by radiometric Assay ChEMBL. 25043312
Inhibition (binding) = 93 % Inhibition of human CHK2 at 1 uM by radiometric Assay ChEMBL. 25043312

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.
 
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External resources for this compound

Bibliographic References

2 literature references were collected for this gene.

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