Detailed information for compound 1688002

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 590.622 | Formula: C29H25F3N8OS
  • H donors: 3 H acceptors: 5 LogP: 5.71 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 2
  • SMILES: Cc1nc(cc(n1)N1CCNCC1)Nc1nc2c(s1)nc(cc2)c1cccc(c1)C(=O)Nc1cccc(c1)C(F)(F)F
  • InChi: 1S/C29H25F3N8OS/c1-17-34-24(16-25(35-17)40-12-10-33-11-13-40)39-28-38-23-9-8-22(37-27(23)42-28)18-4-2-5-19(14-18)26(41)36-21-7-3-6-20(15-21)29(30,31)32/h2-9,14-16,33H,10-13H2,1H3,(H,36,41)(H,34,35,38,39)
  • InChiKey: LQPZDDNAQNTKSD-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 cyclin-dependent kinase 7 Starlite/ChEMBL No references
Homo sapiens TEK tyrosine kinase, endothelial Starlite/ChEMBL No references
Homo sapiens fms-related tyrosine kinase 1 Starlite/ChEMBL No references
Homo sapiens cyclin-dependent kinase 5 Starlite/ChEMBL No references
Homo sapiens platelet-derived growth factor receptor, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens cyclin-dependent kinase 3 Starlite/ChEMBL No references
Homo sapiens ABL proto-oncogene 1, non-receptor tyrosine kinase Starlite/ChEMBL No references
Homo sapiens discoidin domain receptor tyrosine kinase 1 Starlite/ChEMBL No references
Homo sapiens B-Raf proto-oncogene, serine/threonine kinase Starlite/ChEMBL No references
Homo sapiens kinase insert domain receptor Starlite/ChEMBL No references
Homo sapiens mitogen-activated protein kinase 12 Starlite/ChEMBL No references
Homo sapiens v-kit Hardy-Zuckerman 4 feline sarcoma viral oncogene homolog Starlite/ChEMBL No references
Homo sapiens serine/threonine kinase 10 Starlite/ChEMBL No references
Rattus norvegicus Platelet-derived growth factor receptor beta Starlite/ChEMBL No references
Homo sapiens fms-related tyrosine kinase 3 Starlite/ChEMBL No references
Homo sapiens ret proto-oncogene Starlite/ChEMBL No references
Homo sapiens homeodomain interacting protein kinase 1 Starlite/ChEMBL No references
Homo sapiens cyclin-dependent kinase 11A Starlite/ChEMBL No references
Homo sapiens fms-related tyrosine kinase 4 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Babesia bovis cdc-related protein kinase I Get druggable targets OG5_129183 All targets in OG5_129183
Echinococcus granulosus homeodomain interacting protein kinase 3 Get druggable targets OG5_129272 All targets in OG5_129272
Babesia bovis cell division control protein 2, putative Get druggable targets OG5_126712 All targets in OG5_126712
Onchocerca volvulus Get druggable targets OG5_130320 All targets in OG5_130320
Loa Loa (eye worm) TK/KIN16 protein kinase Get druggable targets OG5_130320 All targets in OG5_130320
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Candida albicans Serine-threonine kinase, subunit of RNA Pol TFIIK. Get druggable targets OG5_129224 All targets in OG5_129224
Schistosoma japonicum ko:K08818 cell division cycle 2-like, putative Get druggable targets OG5_129183 All targets in OG5_129183
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
Schistosoma mansoni protein kinase Get druggable targets OG5_130670 All targets in OG5_130670
Trypanosoma congolense cdc2-related kinase 3, putative Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus multilocularis raf serine:threonine protein kinase Get druggable targets OG5_130459 All targets in OG5_130459
Echinococcus multilocularis cyclin dependent kinase 5 Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus granulosus discoidin domain receptor Get druggable targets OG5_130314 All targets in OG5_130314
Schistosoma japonicum expressed protein Get druggable targets OG5_131234 All targets in OG5_131234
Brugia malayi Homeodomain interacting protein kinase protein 1 Get druggable targets OG5_129272 All targets in OG5_129272
Brugia malayi cell division control protein 2 homolog 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
Candida albicans hypothetical protein Get druggable targets OG5_129272 All targets in OG5_129272
Plasmodium falciparum cdc2-related protein kinase 1 Get druggable targets OG5_129183 All targets in OG5_129183
Trypanosoma brucei gambiense cell division protein kinase 2 homolog 1,cdc2- like protein kinase, putative Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania mexicana cell division related protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus multilocularis cyclin dependent kinase 7 Get druggable targets OG5_129224 All targets in OG5_129224
Plasmodium vivax cdc2-related protein kinase 1, putative Get druggable targets OG5_129183 All targets in OG5_129183
Echinococcus multilocularis cyclin dependent kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus granulosus raf serine:threonine protein kinase Get druggable targets OG5_130459 All targets in OG5_130459
Plasmodium berghei cdc2-related kinase 2 Get druggable targets OG5_126712 All targets in OG5_126712
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_129224 All targets in OG5_129224
Leishmania infantum cell division related protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Neospora caninum CMGC kinase, CDK family TgPK2, putative Get druggable targets OG5_126712 All targets in OG5_126712
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative Get druggable targets OG5_129183 All targets in OG5_129183
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Loa Loa (eye worm) cmgc/cdk/pitslre protein kinase Get druggable targets OG5_129183 All targets in OG5_129183
Schistosoma japonicum ko:K08837 serine/threonine kinase 10, putative Get druggable targets OG5_130670 All targets in OG5_130670
Echinococcus granulosus cyclin dependent kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus granulosus STE20 serine:threonine protein kinase Get druggable targets OG5_130670 All targets in OG5_130670
Loa Loa (eye worm) TKL/RAF/RAF protein kinase Get druggable targets OG5_130459 All targets in OG5_130459
Trichomonas vaginalis CMGC family protein 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
Plasmodium vivax protein kinase Crk2 Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus multilocularis STE20 serine:threonine protein kinase Get druggable targets OG5_130670 All targets in OG5_130670
Leishmania braziliensis 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
Schistosoma japonicum expressed protein Get druggable targets OG5_129224 All targets in OG5_129224
Echinococcus multilocularis tyrosine protein kinase Abl Get druggable targets OG5_131234 All targets in OG5_131234
Schistosoma japonicum expressed protein Get druggable targets OG5_129272 All targets in OG5_129272
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130314 All targets in OG5_130314
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131234 All targets in OG5_131234
Schistosoma japonicum ko:K08826 homeodomain interacting protein kinase, putative Get druggable targets OG5_129272 All targets in OG5_129272
Trypanosoma congolense cdc2-related kinase 1, putative Get druggable targets OG5_126712 All targets in OG5_126712
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129183 All targets in OG5_129183
Plasmodium yoelii cdc2-related kinase 2 Get druggable targets OG5_126712 All targets in OG5_126712
Candida albicans Serine-threonine kinase, subunit of RNA Pol TFIIK. Get druggable targets OG5_129224 All targets in OG5_129224
Leishmania braziliensis cell division related protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Theileria parva cell division cycle 2 protein kinase, putative Get druggable targets OG5_129183 All targets in OG5_129183
Trypanosoma brucei cdc2-related kinase 3 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
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_129183 All targets in OG5_129183
Echinococcus multilocularis tyrosine protein kinase ABL1 Get druggable targets OG5_131234 All targets in OG5_131234
Leishmania infantum cell division protein kinase 2,cdc2-related kinase 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
Schistosoma japonicum Proto-oncogene tyrosine-protein kinase ABL1, putative Get druggable targets OG5_131234 All targets in OG5_131234
Echinococcus granulosus tyrosine protein kinase ABL1 Get druggable targets OG5_131234 All targets in OG5_131234
Loa Loa (eye worm) TK/DDR protein kinase Get druggable targets OG5_130314 All targets in OG5_130314
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
Plasmodium knowlesi cdc2-related protein kinase 1, putative Get druggable targets OG5_129183 All targets in OG5_129183
Echinococcus granulosus cyclin dependent kinase 11B Get druggable targets OG5_129183 All targets in OG5_129183
Leishmania donovani cdc2-related kinase 3, putative Get druggable targets OG5_126712 All targets in OG5_126712
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_130670 All targets in OG5_130670
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 3 Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus granulosus cyclin dependent kinase 7 Get druggable targets OG5_129224 All targets in OG5_129224
Cryptosporidium hominis cdc2-like protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Loa Loa (eye worm) TK/ABL protein kinase Get druggable targets OG5_131234 All targets in OG5_131234
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_130459 All targets in OG5_130459
Schistosoma japonicum Tyrosine-protein kinase transforming protein Abl, putative Get druggable targets OG5_131234 All targets in OG5_131234
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_129183 All targets in OG5_129183
Leishmania major cell division protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Brugia malayi Raf kinase Get druggable targets OG5_130459 All targets in OG5_130459
Schistosoma japonicum ko:K04365 B-Raf proto-oncogene serine/threonine-protein kinase, putative Get druggable targets OG5_130459 All targets in OG5_130459
Brugia malayi hypothetical protein Get druggable targets OG5_129183 All targets in OG5_129183
Giardia lamblia Kinase, CMGC CDK 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
Loa Loa (eye worm) CMGC/DYRK/HIPK protein kinase Get druggable targets OG5_129272 All targets in OG5_129272
Neospora caninum hypothetical protein Get druggable targets OG5_129183 All targets in OG5_129183
Echinococcus multilocularis cyclin dependent kinase Get druggable targets OG5_126712 All targets in OG5_126712
Candida albicans similar to C terminus of S. cerevisiae YAK1 (YJL141C) serine-threonine protein kinase Get druggable targets OG5_129272 All targets in OG5_129272
Loa Loa (eye worm) hypothetical protein 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
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Loa Loa (eye worm) CMGC/CDK/CDK7 protein kinase Get druggable targets OG5_129224 All targets in OG5_129224
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130670 All targets in OG5_130670
Schistosoma japonicum expressed protein Get druggable targets OG5_130670 All targets in OG5_130670
Brugia malayi Immunoglobulin I-set domain containing protein Get druggable targets OG5_130320 All targets in OG5_130320
Leishmania donovani cell division protein kinase 2 Get druggable targets OG5_126712 All targets in OG5_126712
Schistosoma japonicum expressed protein Get druggable targets OG5_131234 All targets in OG5_131234
Echinococcus granulosus macrophage colony stimulating factor 1 receptor Get druggable targets OG5_132967 All targets in OG5_132967
Candida albicans similar to C terminus of S. cerevisiae YAK1 (YJL141C) serine-threonine protein kinase Get druggable targets OG5_129272 All targets in OG5_129272
Onchocerca volvulus Tyrosine kinase homolog Get druggable targets OG5_130320 All targets in OG5_130320
Plasmodium knowlesi Cell division control protein 2 homolog Get druggable targets OG5_126712 All targets in OG5_126712
Brugia malayi Tyrosine-protein kinase abl-1 Get druggable targets OG5_131234 All targets in OG5_131234
Theileria parva cell division control protein 2 related 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
Loa Loa (eye worm) raf kinase Get druggable targets OG5_130459 All targets in OG5_130459
Trypanosoma cruzi cdc2-related kinase 1 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
Schistosoma mansoni serine/threonine protein 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
Brugia malayi cyclin-dependent kinase 7 homolog Get druggable targets OG5_129224 All targets in OG5_129224
Schistosoma japonicum Tyrosine-protein kinase transforming protein Abl, putative Get druggable targets OG5_131234 All targets in OG5_131234
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_131234 All targets in OG5_131234
Loa Loa (eye worm) STE/STE20/SLK protein kinase Get druggable targets OG5_130670 All targets in OG5_130670
Trypanosoma brucei gambiense cell division related protein kinase 2, putative,CDC2-related protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130314 All targets in OG5_130314
Candida albicans hypothetical protein Get druggable targets OG5_129272 All targets in OG5_129272
Cryptosporidium parvum Cdc2-like CDK2/CDC28 like protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_129224 All targets in OG5_129224
Giardia lamblia Kinase, CMGC CDK Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus multilocularis cyclin dependent kinase 11B Get druggable targets OG5_129183 All targets in OG5_129183
Echinococcus granulosus cyclin dependent kinase 5 Get druggable targets OG5_126712 All targets in OG5_126712
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_129272 All targets in OG5_129272
Trypanosoma brucei cdc2-related kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_130314 All targets in OG5_130314
Plasmodium falciparum protein kinase 5 Get druggable targets OG5_126712 All targets in OG5_126712
Schistosoma japonicum ko:K02087 cyclin-dependent kinase 1, putative Get druggable targets OG5_126712 All targets in OG5_126712
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Plasmodium yoelii cdc-2 related kinase 1 Get druggable targets OG5_129183 All targets in OG5_129183
Leishmania mexicana cell division 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_129272 All targets in OG5_129272
Onchocerca volvulus Get druggable targets OG5_130314 All targets in OG5_130314
Plasmodium berghei cdc2-related protein kinase 1 Get druggable targets OG5_129183 All targets in OG5_129183
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus multilocularis homeodomain interacting protein kinase 3 Get druggable targets OG5_129272 All targets in OG5_129272
Echinococcus granulosus cyclin dependent 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 %
Trypanosoma brucei mitogen-activated protein kinase 5 cyclin-dependent kinase 7 346 aa 311 aa 32.5 %
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 12 357 aa 362 aa 30.1 %
Trypanosoma brucei mitogen-activated protein kinase 5 cyclin-dependent kinase 5 260 aa 307 aa 28.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0031 0.009 0.0072
Loa Loa (eye worm) hypothetical protein 0.0554 0.8033 0.8029
Brugia malayi Immunoglobulin I-set domain containing protein 0.0031 0.009 0.0072
Schistosoma mansoni cell adhesion molecule 0.0035 0.0156 0.0367
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0107 0.1247 1
Echinococcus granulosus homeodomain interacting protein kinase 3 0.0207 0.2774 0.2789
Echinococcus multilocularis tyrosine protein kinase Abl 0.0116 0.1388 0.1698
Trypanosoma brucei cdc2-related kinase 1 0.0107 0.1247 0.5
Echinococcus multilocularis lachesin 0.0031 0.009 0.009
Echinococcus multilocularis roundabout 2 0.0035 0.0156 0.0171
Schistosoma mansoni septate junction protein 0.0031 0.009 0.0192
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0074 0.0749 0.0906
Schistosoma mansoni serine/threonine protein kinase 0.0274 0.3784 1
Echinococcus granulosus titin 0.0026 0.0018 0.0018
Trichomonas vaginalis CMGC family protein kinase 0.0107 0.1247 0.5
Echinococcus multilocularis peroxidasin 0.0031 0.009 0.009
Loa Loa (eye worm) hypothetical protein 0.0031 0.009 0.0072
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0074 0.0749 0.1942
Echinococcus granulosus raf serine:threonine protein kinase 0.0274 0.3784 0.3804
Brugia malayi Immunoglobulin I-set domain containing protein 0.0035 0.0156 0.0138
Onchocerca volvulus 0.0583 0.8476 0.9299
Echinococcus multilocularis cyclin dependent kinase 5 0.0107 0.1247 0.1523
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0031 0.009 0.0072
Brugia malayi cyclin-dependent kinase 7 homolog 0.0096 0.1086 0.107
Trypanosoma cruzi cdc2-related kinase 1 0.0107 0.1247 0.5
Echinococcus granulosus twitchin 0.0095 0.1074 0.1079
Trypanosoma cruzi cdc2-related kinase 1 0.0107 0.1247 0.5
Brugia malayi Immunoglobulin I-set domain containing protein 0.0035 0.0156 0.0138
Echinococcus multilocularis homeodomain interacting protein kinase 3 0.0207 0.2774 0.3415
Brugia malayi Protein kinase domain containing protein 0.0052 0.0415 0.0398
Giardia lamblia Kinase, CMGC CDK 0.0107 0.1247 0.5
Loa Loa (eye worm) hypothetical protein 0.0104 0.1212 0.1197
Schistosoma mansoni tyrosine kinase 0.0044 0.0298 0.0744
Echinococcus multilocularis tyrosine protein kinase otk 0.0031 0.009 0.009
Echinococcus multilocularis cyclin dependent kinase 7 0.0096 0.1086 0.1323
Loa Loa (eye worm) cmgc/cdk/pitslre protein kinase 0.0052 0.0415 0.0398
Echinococcus multilocularis STE20 serine:threonine protein kinase 0.0558 0.8089 1
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0107 0.1247 0.5
Loa Loa (eye worm) hypothetical protein 0.0074 0.0749 0.0733
Echinococcus granulosus discoidin domain receptor 0.0159 0.2038 0.2048
Echinococcus multilocularis hemicentin 1 0.0031 0.009 0.009
Echinococcus multilocularis neuroglian 0.0092 0.1017 0.1239
Entamoeba histolytica protein kinase domain containing protein 0.0207 0.2774 1
Loa Loa (eye worm) hypothetical protein 0.0078 0.0815 0.0799
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0266 0.3668 0.4523
Echinococcus granulosus peroxidasin 0.0031 0.009 0.009
Echinococcus multilocularis roundabout 2 0.0035 0.0156 0.0171
Loa Loa (eye worm) hypothetical protein 0.0031 0.009 0.0072
Echinococcus granulosus cyclin dependent kinase 5 0.0107 0.1247 0.1254
Echinococcus multilocularis tyrosine protein kinase transmembrane receptor 0.0031 0.0103 0.0106
Onchocerca volvulus Putative titin 0.0028 0.0056 0.0043
Brugia malayi Peroxidasin 0.0031 0.009 0.0072
Schistosoma mansoni neuroglian 0.0035 0.0156 0.0367
Echinococcus granulosus cyclin dependent kinase 7 0.0096 0.1086 0.1091
Echinococcus granulosus hemicentin 1 0.0041 0.0251 0.0252
Schistosoma mansoni serine/threonine protein kinase 0.0096 0.1086 0.2836
Echinococcus granulosus tyrosine protein kinase ABL1 0.0266 0.3668 0.3688
Schistosoma mansoni cell adhesion molecule 0.0035 0.0156 0.0367
Schistosoma mansoni hypothetical protein 0.0033 0.0122 0.0278
Brugia malayi hypothetical protein 0.0048 0.0358 0.0342
Onchocerca volvulus 0.0028 0.0056 0.0043
Loa Loa (eye worm) hypothetical protein 0.0048 0.0358 0.0342
Onchocerca volvulus Netrin receptor homolog 0.0028 0.0056 0.0043
Brugia malayi cell division control protein 2 homolog 0.0107 0.1247 0.1232
Brugia malayi Immunoglobulin I-set domain containing protein 0.0031 0.009 0.0072
Brugia malayi Immunoglobulin I-set domain containing protein 0.0035 0.0156 0.0138
Echinococcus multilocularis cyclin dependent kinase 1 0.0107 0.1247 0.1523
Brugia malayi Protein kinase domain containing protein 0.0196 0.2595 0.2582
Brugia malayi Immunoglobulin I-set domain containing protein 0.0031 0.009 0.0072
Loa Loa (eye worm) raf kinase 0.026 0.3576 0.3565
Echinococcus multilocularis neurotracting:lsamp:neurotrimin:obcam 0.0031 0.009 0.009
Echinococcus multilocularis hemicentin 1 0.0041 0.0251 0.0289
Trypanosoma cruzi cdc2-related kinase 3 0.0107 0.1247 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0107 0.1247 0.3264
Echinococcus granulosus roundabout 2 0.0035 0.0156 0.0157
Loa Loa (eye worm) STE/STE20/SLK protein kinase 0.0196 0.2595 0.2582
Onchocerca volvulus Basement membrane proteoglycan homolog 0.0041 0.0251 0.0256
Loa Loa (eye worm) TK/ABL protein kinase 0.0266 0.3668 0.3657
Brugia malayi Fibronectin type III domain containing protein 0.0078 0.0815 0.0799
Giardia lamblia Kinase, CMGC CDK 0.0107 0.1247 0.5
Echinococcus granulosus cyclin dependent kinase 11B 0.0052 0.0415 0.0417
Trypanosoma cruzi cdc2-related kinase 3 0.0107 0.1247 0.5
Loa Loa (eye worm) hypothetical protein 0.0074 0.0749 0.0733
Schistosoma mansoni septate junction protein 0.0031 0.009 0.0192
Plasmodium vivax protein kinase Crk2 0.0107 0.1247 1
Loa Loa (eye worm) hypothetical protein 0.0087 0.0944 0.0928
Schistosoma mansoni cell adhesion molecule 0.0091 0.1009 0.2633
Brugia malayi Immunoglobulin I-set domain containing protein 0.0031 0.009 0.0072
Echinococcus multilocularis raf serine:threonine protein kinase 0.0274 0.3784 0.4667
Brugia malayi Immunoglobulin I-set domain containing protein 0.0031 0.009 0.0072
Loa Loa (eye worm) hypothetical protein 0.0115 0.1373 0.1358
Brugia malayi Tyrosine-protein kinase abl-1 0.0116 0.1388 0.1373
Echinococcus granulosus macrophage colony stimulating factor 1 receptor 0.068 0.9948 1
Schistosoma mansoni protein kinase 0.0196 0.2595 0.6844
Schistosoma mansoni serine/threonine protein kinase 0.0096 0.1086 0.2836
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0684 1 1
Echinococcus granulosus lachesin 0.0031 0.009 0.009
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0087 0.0944 0.0948
Echinococcus granulosus titin 0.0026 0.0018 0.0018
Echinococcus granulosus tyrosine protein kinase otk 0.0031 0.009 0.009
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0035 0.0156 0.0171
Schistosoma mansoni tyrosine kinase 0.0263 0.3613 0.9546
Loa Loa (eye worm) hypothetical protein 0.0031 0.009 0.0072
Schistosoma mansoni cell adhesion molecule 0.0031 0.009 0.0192
Schistosoma mansoni serine/threonine protein kinase 0.0207 0.2774 0.7319
Echinococcus multilocularis cyclin dependent kinase 11B 0.0052 0.0415 0.0492
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0039 0.0212 0.0195
Echinococcus granulosus cyclin dependent kinase 1 0.0107 0.1247 0.1254
Brugia malayi Protein kinase domain containing protein 0.0173 0.2245 0.2232
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0074 0.0749 0.1942
Schistosoma mansoni neurotracting/lsamp/neurotrimin/obcam related cell adhesion molecule 0.0031 0.009 0.0192
Echinococcus granulosus roundabout 2 0.0109 0.1278 0.1285
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0035 0.0156 0.0367
Echinococcus granulosus STE20 serine:threonine protein kinase 0.0558 0.8089 0.8132
Onchocerca volvulus 0.0033 0.0122 0.0115
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0035 0.0156 0.0138
Onchocerca volvulus Tyrosine kinase homolog 0.0625 0.9113 1
Loa Loa (eye worm) CMGC/DYRK/HIPK protein kinase 0.0207 0.2774 0.2761
Echinococcus multilocularis contactin neuroglian septate junction protein 0.0035 0.0156 0.0171
Brugia malayi Prion-like- 0.0031 0.009 0.0072
Brugia malayi hypothetical protein 0.0078 0.0815 0.0799
Brugia malayi Immunoglobulin I-set domain containing protein 0.0031 0.0103 0.0086
Brugia malayi Immunoglobulin I-set domain containing protein 0.0031 0.009 0.0072
Echinococcus granulosus roundabout 2 0.0035 0.0156 0.0157
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0107 0.1247 0.1232
Echinococcus multilocularis cyclin dependent kinase 0.0107 0.1247 0.1523
Loa Loa (eye worm) hypothetical protein 0.0074 0.0749 0.0733
Loa Loa (eye worm) TK/ROR protein kinase 0.0031 0.0103 0.0086
Loa Loa (eye worm) hypothetical protein 0.0109 0.1279 0.1264
Loa Loa (eye worm) hypothetical protein 0.0031 0.009 0.0072
Loa Loa (eye worm) hypothetical protein 0.0031 0.009 0.0072
Loa Loa (eye worm) TKL/RAF/RAF protein kinase 0.0161 0.2066 0.2052
Loa Loa (eye worm) hypothetical protein 0.0078 0.0815 0.0799
Brugia malayi Protein kinase domain containing protein 0.0107 0.1247 0.1232
Echinococcus granulosus contactin 0.0045 0.0317 0.0318
Echinococcus granulosus neuroglian 0.0092 0.1017 0.1023
Echinococcus multilocularis neuroglian 0.0035 0.0156 0.0171
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0035 0.0156 0.0171
Schistosoma mansoni nephrin 0.0096 0.1083 0.283
Loa Loa (eye worm) TK/DDR protein kinase 0.0153 0.1943 0.1929
Echinococcus granulosus defective proboscis extension response 0.0074 0.0749 0.0753
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0035 0.0156 0.0171
Schistosoma mansoni serine/threonine protein kinase 0.0107 0.1247 0.3264
Onchocerca volvulus 0.0173 0.2245 0.2449
Loa Loa (eye worm) hypothetical protein 0.0159 0.2038 0.2024
Brugia malayi Immunoglobulin I-set domain containing protein 0.0078 0.0815 0.0799
Echinococcus multilocularis cyclin dependent kinase 1 0.0107 0.1247 0.1523
Echinococcus multilocularis roundabout 2 0.0109 0.1278 0.1561
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0107 0.1247 0.1254
Loa Loa (eye worm) hypothetical protein 0.0103 0.1191 0.1175
Echinococcus granulosus Immunoglobulin 0.0074 0.0749 0.0753
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0107 0.1247 0.1232
Echinococcus multilocularis Immunoglobulin 0.0074 0.0749 0.0906
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0031 0.009 0.0072
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0035 0.0156 0.0157
Echinococcus multilocularis Immunoglobulin 0.0074 0.0749 0.0906
Loa Loa (eye worm) CMGC/CDK/CDK7 protein kinase 0.0096 0.1086 0.107
Trichomonas vaginalis CMGC family protein kinase 0.0107 0.1247 0.5
Loa Loa (eye worm) TK protein kinase 0.0031 0.0103 0.0086
Schistosoma mansoni roundabout 0.0031 0.009 0.0192
Schistosoma mansoni vesicular amine transporter 0.0074 0.0749 0.1942
Loa Loa (eye worm) hypothetical protein 0.0031 0.009 0.0072
Echinococcus granulosus cyclin dependent kinase 0.0107 0.1247 0.1254
Brugia malayi Homeodomain interacting protein kinase protein 1 0.0207 0.2774 0.2761
Loa Loa (eye worm) hypothetical protein 0.0035 0.0156 0.0138
Echinococcus granulosus neuroglian 0.0035 0.0156 0.0157
Schistosoma mansoni nephrin 0.0035 0.0156 0.0367
Trypanosoma brucei cdc2-related kinase 3 0.0107 0.1247 0.5
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0107 0.1247 0.1232
Schistosoma mansoni titin 0.0041 0.0251 0.0619
Echinococcus granulosus tyrosine protein kinase transmembrane receptor 0.0031 0.0103 0.0104
Plasmodium falciparum protein kinase 5 0.0107 0.1247 1
Trichomonas vaginalis CMGC family protein kinase 0.0107 0.1247 0.5
Brugia malayi Tyrosine-protein kinase abl-1 0.0154 0.1961 0.1947
Schistosoma mansoni serine/threonine protein kinase 0.0052 0.0415 0.1055
Loa Loa (eye worm) hypothetical protein 0.0153 0.1943 0.1929
Loa Loa (eye worm) hypothetical protein 0.0078 0.0815 0.0799
Brugia malayi Raf kinase 0.0265 0.3646 0.3634
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0107 0.1247 0.5

Activities

Activity type Activity value Assay description Source Reference
Kd (binding) = 1.2 nM Kinase Screen Assay BINDINGDB. No reference
Kd (binding) = 1.8 nM Kinase Screen Assay BINDINGDB. No reference
Kd (binding) = 2.3 nM Kinase Screen Assay BINDINGDB. No reference
Kd (binding) = 2.9 nM Kinase Screen Assay BINDINGDB. No reference
Kd (binding) = 3.3 nM Kinase Screen Assay BINDINGDB. No reference
Kd (binding) = 3.4 nM Kinase Screen Assay BINDINGDB. No reference
Kd (binding) = 5.6 nM Kinase Screen Assay BINDINGDB. No reference
Kd (binding) = 7.7 nM Kinase Screen Assay BINDINGDB. No reference
Kd (binding) = 9.5 nM Kinase Screen Assay BINDINGDB. No reference
Kd (binding) = 13 nM Kinase Screen Assay BINDINGDB. No reference
Kd (binding) = 31 nM Kinase Screen Assay BINDINGDB. No reference
Kd (binding) = 34 nM BindingDB_Patents: Kinase Screen Assay. KINOMEscan (Ambit Biosciences, San Diego, Calif.), a high-throughput method for screening small molecular agents against a large panel of human kinases, was utilized for compound 2. The technology is a competition binding assay that profiled the selectivity of compound 2 against 350 kinases, each fused to a proprietary tag. The quantity of each kinase bound to an immobilized, active site-directed ligand was measured in the presence and absence of compound 2. ChEMBL. No reference
Kd (binding) = 36 nM Kinase Screen Assay BINDINGDB. No reference
Kd (binding) = 57 nM Kinase Screen Assay BINDINGDB. No reference
Kd (binding) = 58 nM Kinase Screen Assay BINDINGDB. No reference
Kd (binding) = 74 nM Kinase Screen Assay BINDINGDB. No reference
Kd (binding) = 100 nM Kinase Screen Assay BINDINGDB. No reference
Kd (binding) = 250 nM Kinase Screen Assay BINDINGDB. No reference
Kd (binding) = 840 nM Kinase Screen Assay BINDINGDB. No reference

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

No literature references available for this target.

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