Detailed information for compound 2155058

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 347.113 | Formula: C17H13N7O2
  • H donors: 2 H acceptors: 5 LogP: 2.03 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 0
  • SMILES: CCc1coc(n1)c1cnn2c1[nH]c(cc2=O)c1ccc2c(c1)nn[nH]2
  • InChi: InChI=1S/C17H13N7O2/c1-2-10-8-26-17(19-10)11-7-18-24-15(25)6-13(20-16(11)24)9-3-4-12-14(5-9)22-23-21-12/h3-8,20H,2H2,1H3,(H,21,22,23)
  • InChiKey: KPFDWANTTFWXAT-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 Pim-1 proto-oncogene, serine/threonine kinase No references
Homo sapiens casein kinase 2, alpha prime polypeptide No references
Homo sapiens PAS domain containing serine/threonine kinase No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium berghei casein kinase 2, alpha subunit Get druggable targets OG5_126901 All targets in OG5_126901
Trypanosoma brucei Casein kinase II Get druggable targets OG5_126901 All targets in OG5_126901
Leishmania infantum casein kinase II, putative 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
Leishmania braziliensis casein kinase II, putative Get druggable targets OG5_126901 All targets in OG5_126901
Cryptosporidium parvum casein kinase II, alpha subunit, putative Get druggable targets OG5_126901 All targets in OG5_126901
Onchocerca volvulus Serine\/threonine protein kinase homolog Get druggable targets OG5_134863 All targets in OG5_134863
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126901 All targets in OG5_126901
Echinococcus multilocularis proto oncogene serine:threonine protein kinase Get druggable targets OG5_134863 All targets in OG5_134863
Loa Loa (eye worm) CAMK/CAMKL/PASK protein kinase Get druggable targets OG5_131169 All targets in OG5_131169
Trypanosoma cruzi casein kinase II, putative 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
Giardia lamblia Kinase, CMGC CK2 Get druggable targets OG5_126901 All targets in OG5_126901
Plasmodium knowlesi casein kinase 2, alpha subunit, putative 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
Candida albicans similar to S. cerevisiae PAS domain-containing Serine/threonine Kinase Get druggable targets OG5_131169 All targets in OG5_131169
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126901 All targets in OG5_126901
Plasmodium vivax casein kinase 2, alpha subunit, putative Get druggable targets OG5_126901 All targets in OG5_126901
Plasmodium vivax unspecified product Get druggable targets OG5_126901 All targets in OG5_126901
Echinococcus granulosus casein kinase ii subunit alpha Get druggable targets OG5_126901 All targets in OG5_126901
Candida albicans Casein kinase II alpha' subunit Get druggable targets OG5_126901 All targets in OG5_126901
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_134863 All targets in OG5_134863
Brugia malayi Serine/threonine-protein kinase Pim-3 Get druggable targets OG5_134863 All targets in OG5_134863
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
Entamoeba histolytica casein kinase, putative Get druggable targets OG5_126901 All targets in OG5_126901
Toxoplasma gondii CMGC kinase, CK2 family Get druggable targets OG5_126901 All targets in OG5_126901
Onchocerca volvulus Get druggable targets OG5_131169 All targets in OG5_131169
Trypanosoma brucei gambiense casein kinase II, putative Get druggable targets OG5_126901 All targets in OG5_126901
Echinococcus multilocularis casein kinase ii subunit alpha Get druggable targets OG5_126901 All targets in OG5_126901
Entamoeba histolytica protein kinase domain containing protein Get druggable targets OG5_126901 All targets in OG5_126901
Cryptosporidium hominis protein kinase domain 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
Loa Loa (eye worm) CAMK/PIM protein kinase Get druggable targets OG5_134863 All targets in OG5_134863
Echinococcus granulosus proto oncogene serine:threonine protein kinase Get druggable targets OG5_134863 All targets in OG5_134863
Trichomonas vaginalis CMGC family protein kinase 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
Leishmania donovani casein kinase II, putative 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 alpha' subunit Get druggable targets OG5_126901 All targets in OG5_126901
Schistosoma japonicum ko:K03097 casein kinase 2, alpha polypeptide, putative 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
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_134863 All targets in OG5_134863
Loa Loa (eye worm) CMGC/CK2 protein kinase 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
Neospora caninum hypothetical protein 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 CMGC family protein kinase Get druggable targets OG5_126901 All targets in OG5_126901
Leishmania major casein kinase II, putative Get druggable targets OG5_126901 All targets in OG5_126901
Leishmania mexicana casein kinase II, putative Get druggable targets OG5_126901 All targets in OG5_126901
Plasmodium falciparum casein kinase 2, alpha subunit 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
Schistosoma mansoni protein kinase 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
Trypanosoma cruzi casein kinase II, alpha chain, putative casein kinase 2, alpha prime polypeptide 350 aa 319 aa 50.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis CMGC family protein kinase 0.0082 0.4033 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0082 0.4033 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0082 0.4033 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0082 0.4033 0.5
Trypanosoma brucei Casein kinase II 0.0082 0.4033 1
Trypanosoma cruzi casein kinase II, putative 0.0082 0.4033 0.5
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0193 1 1
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0193 1 1
Loa Loa (eye worm) CMGC/CK2 protein kinase 0.0082 0.4033 0.1921
Plasmodium vivax casein kinase 2, alpha subunit, putative 0.0082 0.4033 0.5
Echinococcus granulosus proto oncogene serine:threonine protein kinase 0.0193 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0082 0.4033 0.5
Onchocerca volvulus Serine\/threonine protein kinase homolog 0.0193 1 1
Plasmodium vivax unspecified product 0.0082 0.4033 0.5
Entamoeba histolytica casein kinase, putative 0.0082 0.4033 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0193 1 1
Giardia lamblia Kinase, CMGC CK2 0.0082 0.4033 0.5
Plasmodium falciparum casein kinase 2, alpha subunit 0.0082 0.4033 0.5
Echinococcus multilocularis proto oncogene serine:threonine protein kinase 0.0193 1 1
Leishmania major casein kinase II, putative 0.0082 0.4033 0.5
Brugia malayi Serine/threonine-protein kinase Pim-3 0.0193 1 1
Toxoplasma gondii CMGC kinase, CK2 family 0.0082 0.4033 0.5
Entamoeba histolytica protein kinase domain containing protein 0.0082 0.4033 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0082 0.4033 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0082 0.4033 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) <= 10 uM Inhibition of human full-length 6xHis-tagged PIM1 expressed in insect cells using S6K1Rsk2 peptide-2 substrate in presence of [33P]ATP incubated for 120 mins by scintillation counting based biochemical assay ChEMBL. No reference
IC50 (binding) <= 10 uM Inhibition of N-terminal GST-tagged human recombinant PASK kinase domain (879 to 1323 residues) expressed in insect cells using MBP protein substrate incubated for 120 mins in presence of [33P]ATP by scintillation counting based radiochemical assay ChEMBL. No reference
IC50 (binding) <= 10 uM Inhibition of human recombinant PASK using Ulight-peptide substrate incubated for 2 hrs by TR-FRET assay ChEMBL. No reference
IC50 (binding) <= 10 uM Inhibition of GST-tagged full-length purified human CK2a2 using RRRDDDSDDD substrate incubated for 120 mins in presence of [33P]ATP by scintillation counting based biochemical assay ChEMBL. 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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