Detailed information for compound 1655590

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 289.717 | Formula: C14H12ClN3O2
  • H donors: 2 H acceptors: 1 LogP: 2.18 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc2c(c1)c1nc([nH]c(=O)c1o2)[C@@H]1CCCN1
  • InChi: 1S/C14H12ClN3O2/c15-7-3-4-10-8(6-7)11-12(20-10)14(19)18-13(17-11)9-2-1-5-16-9/h3-4,6,9,16H,1-2,5H2,(H,17,18,19)/t9-/m0/s1
  • InChiKey: JJWLXRKVUJDJKG-VIFPVBQESA-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 cell division cycle 7 Starlite/ChEMBL References
Homo sapiens casein kinase 2, alpha 1 polypeptide References
Homo sapiens Pim-1 proto-oncogene, serine/threonine kinase Starlite/ChEMBL References
Homo sapiens casein kinase 2, beta polypeptide References
Homo sapiens cytochrome P450, family 1, subfamily A, polypeptide 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei Casein kinase II subunit beta, putative Get druggable targets OG5_126846 All targets in OG5_126846
Cryptosporidium hominis protein kinase Ck2-beta Get druggable targets OG5_126846 All targets in OG5_126846
Leishmania major casein kinase II, putative Get druggable targets OG5_126901 All targets in OG5_126901
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_129189 All targets in OG5_129189
Candida albicans protein serine/threonine kinase Get druggable targets OG5_129189 All targets in OG5_129189
Leishmania mexicana casein kinase II, putative Get druggable targets OG5_126901 All targets in OG5_126901
Echinococcus granulosus CDC7 cell division cycle 7 Get druggable targets OG5_129189 All targets in OG5_129189
Plasmodium knowlesi casein kinase II beta chain, putative Get druggable targets OG5_126846 All targets in OG5_126846
Plasmodium falciparum casein kinase II beta chain Get druggable targets OG5_126846 All targets in OG5_126846
Trichomonas vaginalis casein kinase II beta chain, putative Get druggable targets OG5_126846 All targets in OG5_126846
Cryptosporidium parvum putative casein kinase II regulatory subunit; besthit Pf 23508244 Get druggable targets OG5_126846 All targets in OG5_126846
Cryptosporidium parvum putative protein kinase CK2 regulatory subunit CK2B1 Get druggable targets OG5_126846 All targets in OG5_126846
Echinococcus multilocularis proto oncogene serine:threonine protein kinase Get druggable targets OG5_134863 All targets in OG5_134863
Schistosoma japonicum ko:K03115 casein kinase 2, beta polypeptide, putative Get druggable targets OG5_126846 All targets in OG5_126846
Leishmania donovani casein kinase II, putative Get druggable targets OG5_126901 All targets in OG5_126901
Loa Loa (eye worm) CDC7 protein kinase Get druggable targets OG5_129189 All targets in OG5_129189
Plasmodium falciparum casein kinase II beta chain Get druggable targets OG5_126846 All targets in OG5_126846
Schistosoma mansoni protein kinase Get druggable targets OG5_126901 All targets in OG5_126901
Leishmania braziliensis casein kinase II, putative Get druggable targets OG5_126901 All targets in OG5_126901
Babesia bovis casein kinase II beta 4 subunit, putative Get druggable targets OG5_126846 All targets in OG5_126846
Giardia lamblia Kinase, CDC7 Get druggable targets OG5_129189 All targets in OG5_129189
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126901 All targets in OG5_126901
Trypanosoma congolense casein kinase II, putative Get druggable targets OG5_126901 All targets in OG5_126901
Onchocerca volvulus Casein kinase II subunit beta homolog Get druggable targets OG5_126846 All targets in OG5_126846
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_134863 All targets in OG5_134863
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_134863 All targets in OG5_134863
Trypanosoma cruzi Casein kinase II subunit beta, putative Get druggable targets OG5_126846 All targets in OG5_126846
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_129189 All targets in OG5_129189
Leishmania donovani Casein kinase II subunit beta, putative Get druggable targets OG5_126846 All targets in OG5_126846
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126901 All targets in OG5_126901
Onchocerca volvulus Get druggable targets OG5_129189 All targets in OG5_129189
Onchocerca volvulus Casein kinase II subunit beta homolog Get druggable targets OG5_126846 All targets in OG5_126846
Plasmodium berghei casein kinase II beta chain, putative Get druggable targets OG5_126846 All targets in OG5_126846
Plasmodium falciparum casein kinase 2, alpha subunit Get druggable targets OG5_126901 All targets in OG5_126901
Candida albicans likely protein kinase similar to S. cerevisiae CKA1 (YIL035C) alpha subunit of protein kinase 2, aka casein kinase II Get druggable targets OG5_126901 All targets in OG5_126901
Trypanosoma congolense Casein kinase II subunit beta, putative Get druggable targets OG5_126846 All targets in OG5_126846
Trypanosoma cruzi Casein kinase II subunit beta, putative Get druggable targets OG5_126846 All targets in OG5_126846
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_129189 All targets in OG5_129189
Echinococcus granulosus casein kinase ii subunit alpha Get druggable targets OG5_126901 All targets in OG5_126901
Candida albicans protein serine/threonine kinase Get druggable targets OG5_129189 All targets in OG5_129189
Trichomonas vaginalis casein kinase II beta chain, putative Get druggable targets OG5_126846 All targets in OG5_126846
Trypanosoma brucei gambiense casein kinase II, putative Get druggable targets OG5_126901 All targets in OG5_126901
Plasmodium knowlesi casein kinase II beta chain, putative Get druggable targets OG5_126846 All targets in OG5_126846
Entamoeba histolytica protein kinase domain containing protein Get druggable targets OG5_126901 All targets in OG5_126901
Plasmodium yoelii Protein kinase domain Get druggable targets OG5_126901 All targets in OG5_126901
Trichomonas vaginalis casein kinase II beta chain, putative Get druggable targets OG5_126846 All targets in OG5_126846
Entamoeba histolytica casein kinase II regulatory subunit family protein Get druggable targets OG5_126846 All targets in OG5_126846
Onchocerca volvulus Get druggable targets OG5_129189 All targets in OG5_129189
Candida albicans Casein kinase II, regulatory (beta-prime) subunit Get druggable targets OG5_126846 All targets in OG5_126846
Trypanosoma brucei gambiense protein kinase ck2 regulatory subunit, putative Get druggable targets OG5_126846 All targets in OG5_126846
Toxoplasma gondii CMGC kinase, CK2 family Get druggable targets OG5_126901 All targets in OG5_126901
Theileria parva casein kinase II, alpha chain Get druggable targets OG5_126901 All targets in OG5_126901
Schistosoma japonicum ko:K04702 proto-oncogene serine/threonine-protein kinase Pim-1, putative Get druggable targets OG5_134863 All targets in OG5_134863
Trichomonas vaginalis casein kinase II beta chain, putative Get druggable targets OG5_126846 All targets in OG5_126846
Schistosoma japonicum ko:K03115 casein kinase 2, beta polypeptide, putative Get druggable targets OG5_126846 All targets in OG5_126846
Trichomonas vaginalis casein kinase II beta chain, putative Get druggable targets OG5_126846 All targets in OG5_126846
Echinococcus multilocularis casein kinase ii subunit alpha Get druggable targets OG5_126901 All targets in OG5_126901
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126901 All targets in OG5_126901
Trichomonas vaginalis casein kinase II beta chain, putative Get druggable targets OG5_126846 All targets in OG5_126846
Plasmodium yoelii protein kinase Ck2-beta Get druggable targets OG5_126846 All targets in OG5_126846
Neospora caninum YOR039Wp-like protein, related Get druggable targets OG5_126846 All targets in OG5_126846
Trichomonas vaginalis casein kinase II beta chain, putative Get druggable targets OG5_126846 All targets in OG5_126846
Leishmania infantum protein kinase ck2 regulatory subunit, putative Get druggable targets OG5_126846 All targets in OG5_126846
Plasmodium vivax casein kinase 2, alpha subunit, putative Get druggable targets OG5_126901 All targets in OG5_126901
Giardia lamblia Kinase, CMGC CK2 Get druggable targets OG5_126901 All targets in OG5_126901
Plasmodium berghei casein kinase II beta chain, putative Get druggable targets OG5_126846 All targets in OG5_126846
Trichomonas vaginalis casein kinase II beta chain, putative Get druggable targets OG5_126846 All targets in OG5_126846
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_129189 All targets in OG5_129189
Toxoplasma gondii casein kinase ii regulatory subunit protein Get druggable targets OG5_126846 All targets in OG5_126846
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_129189 All targets in OG5_129189
Giardia lamblia Casein kinase II beta chain Get druggable targets OG5_126846 All targets in OG5_126846
Leishmania major protein kinase ck2 regulatory subunit, putative Get druggable targets OG5_126846 All targets in OG5_126846
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126901 All targets in OG5_126901
Plasmodium yoelii casein kinase ii beta chain Get druggable targets OG5_126846 All targets in OG5_126846
Leishmania infantum casein kinase II, putative Get druggable targets OG5_126901 All targets in OG5_126901
Echinococcus granulosus proto oncogene serine:threonine protein kinase Get druggable targets OG5_134863 All targets in OG5_134863
Theileria parva casein kinase II beta chain, putative Get druggable targets OG5_126846 All targets in OG5_126846
Entamoeba histolytica casein kinase, putative Get druggable targets OG5_126901 All targets in OG5_126901
Babesia bovis protein kinase CK2 regulatory subunit CK2B1 Get druggable targets OG5_126846 All targets in OG5_126846
Schistosoma mansoni casein kinase II beta subunit Get druggable targets OG5_126846 All targets in OG5_126846
Entamoeba histolytica casein kinase II regulatory subunit family protein Get druggable targets OG5_126846 All targets in OG5_126846
Onchocerca volvulus Serine\/threonine protein kinase homolog Get druggable targets OG5_134863 All targets in OG5_134863
Plasmodium knowlesi casein kinase 2, alpha subunit, putative Get druggable targets OG5_126901 All targets in OG5_126901
Trichomonas vaginalis casein kinase II beta chain, putative Get druggable targets OG5_126846 All targets in OG5_126846
Plasmodium vivax unspecified product Get druggable targets OG5_126901 All targets in OG5_126901
Plasmodium berghei casein kinase 2, alpha subunit Get druggable targets OG5_126901 All targets in OG5_126901
Brugia malayi Casein kinase II, alpha chain Get druggable targets OG5_126901 All targets in OG5_126901
Babesia bovis casein kinase II, alpha chain (CK II) Get druggable targets OG5_126901 All targets in OG5_126901
Neospora caninum hypothetical protein Get druggable targets OG5_126901 All targets in OG5_126901
Brugia malayi Csnk2b protein Get druggable targets OG5_126846 All targets in OG5_126846
Echinococcus multilocularis casein kinase ii subunit beta Get druggable targets OG5_126846 All targets in OG5_126846
Trichomonas vaginalis casein kinase II beta chain, putative Get druggable targets OG5_126846 All targets in OG5_126846
Candida albicans Casein kinase II alpha' subunit Get druggable targets OG5_126901 All targets in OG5_126901
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126901 All targets in OG5_126901
Candida albicans Casein kinase II, regulatory (beta) subunit Get druggable targets OG5_126846 All targets in OG5_126846
Candida albicans Casein kinase II, regulatory (beta-prime) subunit Get druggable targets OG5_126846 All targets in OG5_126846
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126901 All targets in OG5_126901
Loa Loa (eye worm) CAMK/PIM protein kinase Get druggable targets OG5_134863 All targets in OG5_134863
Trypanosoma brucei Casein kinase II Get druggable targets OG5_126901 All targets in OG5_126901
Loa Loa (eye worm) CAMK/PIM protein kinase Get druggable targets OG5_134863 All targets in OG5_134863
Trichomonas vaginalis casein kinase II beta chain, putative Get druggable targets OG5_126846 All targets in OG5_126846
Brugia malayi Serine/threonine-protein kinase Pim-3 Get druggable targets OG5_134863 All targets in OG5_134863
Trichomonas vaginalis casein kinase II beta chain, putative Get druggable targets OG5_126846 All targets in OG5_126846
Echinococcus granulosus casein kinase ii subunit beta Get druggable targets OG5_126846 All targets in OG5_126846
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126901 All targets in OG5_126901
Candida albicans Casein kinase II, regulatory (beta) subunit Get druggable targets OG5_126846 All targets in OG5_126846
Loa Loa (eye worm) CMGC/CK2 protein kinase Get druggable targets OG5_126901 All targets in OG5_126901
Trypanosoma cruzi casein kinase II, putative Get druggable targets OG5_126901 All targets in OG5_126901
Leishmania mexicana protein kinase ck2 regulatory subunit, putative Get druggable targets OG5_126846 All targets in OG5_126846
Neospora caninum casein kinase II beta chain, putative Get druggable targets OG5_126846 All targets in OG5_126846
Trichomonas vaginalis casein kinase II beta chain, putative Get druggable targets OG5_126846 All targets in OG5_126846
Plasmodium vivax casein kinase II beta chain, putative Get druggable targets OG5_126846 All targets in OG5_126846
Trichomonas vaginalis casein kinase II beta chain, putative Get druggable targets OG5_126846 All targets in OG5_126846
Schistosoma japonicum ko:K02214 cell division control protein CDC7, putative Get druggable targets OG5_129189 All targets in OG5_129189
Entamoeba histolytica casein kinase II regulatory subunit family protein Get druggable targets OG5_126846 All targets in OG5_126846
Loa Loa (eye worm) Csnk2b protein Get druggable targets OG5_126846 All targets in OG5_126846
Schistosoma japonicum ko:K03097 casein kinase 2, alpha polypeptide, putative Get druggable targets OG5_126901 All targets in OG5_126901
Leishmania braziliensis protein kinase ck2 regulatory subunit, putative Get druggable targets OG5_126846 All targets in OG5_126846
Cryptosporidium parvum casein kinase II, alpha subunit, putative Get druggable targets OG5_126901 All targets in OG5_126901
Theileria parva casein kinase II beta chain, putative Get druggable targets OG5_126846 All targets in OG5_126846
Plasmodium vivax casein kinase II beta chain, putative Get druggable targets OG5_126846 All targets in OG5_126846
Toxoplasma gondii ck2 beta subunit Get druggable targets OG5_126846 All targets in OG5_126846
Cryptosporidium hominis protein kinase domain Get druggable targets OG5_126901 All targets in OG5_126901
Schistosoma japonicum Casein kinase II subunit beta, putative Get druggable targets OG5_126846 All targets in OG5_126846
Trichomonas vaginalis casein kinase II beta chain, putative Get druggable targets OG5_126846 All targets in OG5_126846
Echinococcus multilocularis CDC7 cell division cycle 7 Get druggable targets OG5_129189 All targets in OG5_129189
Candida albicans Casein kinase II alpha' subunit Get druggable targets OG5_126901 All targets in OG5_126901
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Cytochrome P450 family protein cytochrome P450, family 1, subfamily A, polypeptide 2 516 aa 470 aa 26.2 %
Trypanosoma cruzi casein kinase II, alpha chain, putative casein kinase 2, alpha 1 polypeptide 391 aa 316 aa 51.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus 0.0022 0.0732 0.0732
Entamoeba histolytica casein kinase II regulatory subunit family protein 0.0044 0.1947 0.4513
Trichomonas vaginalis CMGC family protein kinase 0.007 0.333 0.8209
Trichomonas vaginalis CMGC family protein kinase 0.0082 0.4 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0105 0.0105
Trichomonas vaginalis CMGC family protein kinase 0.0082 0.4 1
Echinococcus multilocularis lamin dm0 0.0022 0.0732 0.0732
Plasmodium vivax unspecified product 0.0082 0.4 1
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.001 0.0126 0.0126
Loa Loa (eye worm) casein kinase II 0.0013 0.0258 0.0258
Trichomonas vaginalis casein kinase II beta chain, putative 0.0044 0.1947 0.4513
Onchocerca volvulus 0.007 0.333 0.333
Trichomonas vaginalis CMGC family protein kinase 0.007 0.333 0.8209
Schistosoma mansoni lamin 0.0022 0.0732 0.0732
Trichomonas vaginalis histidinol-phosphate aminotransferase, putative 0.0056 0.257 0.6178
Echinococcus multilocularis musashi 0.0022 0.0732 0.0732
Schistosoma mansoni casein kinase II beta subunit 0.0044 0.1947 0.1947
Brugia malayi intermediate filament protein 0.0022 0.0732 0.0732
Trichomonas vaginalis casein kinase II beta chain, putative 0.0044 0.1947 0.4513
Schistosoma mansoni protein kinase 0.0082 0.4 0.4
Giardia lamblia Casein kinase II beta chain 0.0044 0.1947 0.4513
Trichomonas vaginalis CMGC family protein kinase 0.0082 0.4 1
Trichomonas vaginalis casein kinase II beta chain, putative 0.0044 0.1947 0.4513
Trypanosoma brucei Casein kinase II 0.0082 0.4 1
Echinococcus granulosus casein kinase ii subunit beta 0.0044 0.1947 0.1947
Entamoeba histolytica casein kinase II regulatory subunit family protein 0.0044 0.1947 0.4513
Schistosoma mansoni serine/threonine protein kinase 0.007 0.333 0.333
Schistosoma mansoni serine/threonine protein kinase 0.0194 1 1
Onchocerca volvulus Casein kinase II subunit beta homolog 0.0044 0.1947 0.1947
Trichomonas vaginalis casein kinase II beta chain, putative 0.0044 0.1947 0.4513
Loa Loa (eye worm) intermediate filament protein 0.0022 0.0732 0.0732
Echinococcus granulosus CDC7 cell division cycle 7 0.007 0.333 0.333
Loa Loa (eye worm) hypothetical protein 0.0022 0.0732 0.0732
Trypanosoma cruzi casein kinase II, putative 0.0082 0.4 1
Echinococcus multilocularis casein kinase ii subunit alpha 0.0082 0.4 0.4
Trichomonas vaginalis acc synthase, putative 0.0056 0.257 0.6178
Toxoplasma gondii CMGC kinase, CK2 family 0.0082 0.4 1
Echinococcus granulosus lamin 0.0022 0.0732 0.0732
Echinococcus granulosus proto oncogene serine:threonine protein kinase 0.0194 1 1
Trichomonas vaginalis casein kinase II beta chain, putative 0.0044 0.1947 0.4513
Entamoeba histolytica protein kinase domain containing protein 0.0082 0.4 1
Trichomonas vaginalis casein kinase II beta chain, putative 0.0044 0.1947 0.4513
Trichomonas vaginalis casein kinase II beta chain, putative 0.0044 0.1947 0.4513
Trichomonas vaginalis histidinol-phosphate aminotransferase, putative 0.0056 0.257 0.6178
Loa Loa (eye worm) hypothetical protein 0.001 0.0105 0.0105
Trichomonas vaginalis casein kinase II beta chain, putative 0.0044 0.1947 0.4513
Trichomonas vaginalis casein kinase II beta chain, putative 0.0044 0.1947 0.4513
Plasmodium falciparum casein kinase 2, alpha subunit 0.0082 0.4 1
Onchocerca volvulus Serine\/threonine protein kinase homolog 0.0194 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0082 0.4 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0126 0.0126
Onchocerca volvulus Casein kinase II subunit beta homolog 0.0044 0.1947 0.1947
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0022 0.0732 0.0732
Onchocerca volvulus 0.007 0.333 0.333
Trichomonas vaginalis casein kinase II beta chain, putative 0.0044 0.1947 0.4513
Echinococcus multilocularis casein kinase ii subunit beta 0.0044 0.1947 0.1947
Schistosoma mansoni intermediate filament proteins 0.0022 0.0732 0.0732
Leishmania major casein kinase II, putative 0.0082 0.4 1
Echinococcus multilocularis lamin 0.0022 0.0732 0.0732
Brugia malayi cytoplasmic intermediate filament protein 0.0012 0.0188 0.0188
Trichomonas vaginalis CMGC family protein kinase 0.007 0.333 0.8209
Echinococcus granulosus lamin dm0 0.0022 0.0732 0.0732
Trichomonas vaginalis casein kinase II beta chain, putative 0.0044 0.1947 0.4513
Loa Loa (eye worm) CMGC/CK2 protein kinase 0.0082 0.4 0.4
Plasmodium vivax casein kinase 2, alpha subunit, putative 0.0082 0.4 1
Schistosoma mansoni lamin 0.0022 0.0732 0.0732
Giardia lamblia Kinase, CMGC CK2 0.0082 0.4 1
Echinococcus granulosus cytoplasmic intermediate filament protein 0.001 0.0126 0.0126
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0194 1 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0012 0.0188 0.0188
Trichomonas vaginalis casein kinase II beta chain, putative 0.0044 0.1947 0.4513
Echinococcus multilocularis CDC7 cell division cycle 7 0.007 0.333 0.333
Loa Loa (eye worm) hypothetical protein 0.0021 0.0711 0.0711
Loa Loa (eye worm) CDC7 protein kinase 0.007 0.333 0.333
Trichomonas vaginalis casein kinase II beta chain, putative 0.0044 0.1947 0.4513
Trichomonas vaginalis casein kinase II beta chain, putative 0.0044 0.1947 0.4513
Entamoeba histolytica casein kinase II regulatory subunit family protein 0.0044 0.1947 0.4513
Echinococcus granulosus intermediate filament protein 0.0022 0.0732 0.0732
Giardia lamblia Kinase, CDC7 0.007 0.333 0.8209
Brugia malayi casein kinase II, putaitve 0.0013 0.0258 0.0258
Brugia malayi Protein kinase domain containing protein 0.007 0.333 0.333
Brugia malayi Casein kinase II, alpha chain 0.0082 0.4 0.4
Echinococcus multilocularis proto oncogene serine:threonine protein kinase 0.0194 1 1
Trichomonas vaginalis acc synthase, putative 0.0056 0.257 0.6178
Onchocerca volvulus 0.0022 0.0732 0.0732
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0194 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0082 0.4 1
Loa Loa (eye worm) Csnk2b protein 0.0044 0.1947 0.1947
Trichomonas vaginalis casein kinase II beta chain, putative 0.0044 0.1947 0.4513
Brugia malayi Serine/threonine-protein kinase Pim-3 0.0194 1 1
Brugia malayi Intermediate filament tail domain containing protein 0.0022 0.0732 0.0732
Echinococcus granulosus casein kinase ii subunit alpha 0.0082 0.4 0.4
Entamoeba histolytica casein kinase, putative 0.0082 0.4 1
Brugia malayi Csnk2b protein 0.0044 0.1947 0.1947
Trichomonas vaginalis CMGC family protein kinase 0.0082 0.4 1
Trichomonas vaginalis CMGC family protein kinase 0.0082 0.4 1

Activities

Activity type Activity value Assay description Source Reference
Cp (ADMET) = 141 uM Plasma concentration in mouse at 100 mg/kg, po measured after 1 hr ChEMBL. 22560567
GI (functional) = 8.7 % Antitumor activity against human Caco2 cells xenografted in athymic nude mouse assessed as tumor growth inhibition at 3 mg/kg, po QD administered for 14 days ChEMBL. 22560567
IC50 (binding) = 3.4 nM Inhibition of N-terminus Myc-tagged human CDC7 expressed in Escherichia coli by chemiluminescence assay in presence of ATP ChEMBL. 22560567
IC50 (binding) = 42 nM Inhibition of N-terminus His-tagged human PIM1 expressed in Escherichia coli using AKRRRLSA as substrate after 1 to 2 hrs by chemiluminescence assay ChEMBL. 22560567
IC50 (binding) = 118 nM Inhibition of CDC7 in human MDA-MB-231T cells assessed as inhibition of MCM2 phosphorylation at Ser53 after 4 hrs ChEMBL. 22560567
IC50 (binding) = 140 nM Inhibition of CDC7 in human Caco2 cells assessed as inhibition of MCM2 phosphorylation at Ser53 after 4 hrs ChEMBL. 22560567
IC50 (binding) = 215 nM Inhibition of human tertrameric CK2alphabeta holoenzyme using casein as substrate after 1 to 2 hrs by chemiluminescence assay in presence of 2 uM ATP ChEMBL. 22560567
IC50 (functional) = 2685 nM Antiproliferative activity against human Caco2 cells after 3 days by BrdU incorporation assay ChEMBL. 22560567
IC50 (ADMET) = 6.9 uM Inhibition of CYP1A2 ChEMBL. 22560567
IC50 (binding) > 30 uM Inhibition of human Erg ChEMBL. 22560567
IC50 (ADMET) > 50 uM Inhibition of CYP3A4 ChEMBL. 22560567
IC50 (ADMET) > 50 uM Inhibition of CYP2C9 ChEMBL. 22560567
IC50 (ADMET) > 50 uM Inhibition of CYP2D6 ChEMBL. 22560567
IC50 (ADMET) > 50 uM Inhibition of CYP2C19 ChEMBL. 22560567

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 22560567

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.