Detailed information for compound 1632988

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 161.161 | Formula: C8H7N3O
  • H donors: 2 H acceptors: 1 LogP: 0.02 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1ccc2c(c1)ncc(=O)[nH]2
  • InChi: 1S/C8H7N3O/c9-5-1-2-6-7(3-5)10-4-8(12)11-6/h1-4H,9H2,(H,11,12)
  • InChiKey: GCTMBEAVSLUTAW-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 ribosomal protein S6 kinase, 90kDa, polypeptide 3 Starlite/ChEMBL No references
Homo sapiens mitogen-activated protein kinase-activated protein kinase 2 Starlite/ChEMBL No references
Homo sapiens casein kinase 2, alpha 1 polypeptide Starlite/ChEMBL No references
Homo sapiens polo-like kinase 3 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Entamoeba histolytica serine/threonine protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126901 All targets in OG5_126901
Brugia malayi serine/threonine-protein kinase plk-2 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
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126901 All targets in OG5_126901
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_131483 All targets in OG5_131483
Candida albicans Serine/threonine protein kinase Get druggable targets OG5_128147 All targets in OG5_128147
Plasmodium yoelii Protein kinase domain 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
Plasmodium berghei casein kinase 2, alpha subunit Get druggable targets OG5_126901 All targets in OG5_126901
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Babesia bovis casein kinase II, alpha chain (CK II) Get druggable targets OG5_126901 All targets in OG5_126901
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_128147 All targets in OG5_128147
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126901 All targets in OG5_126901
Leishmania major protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K03097 casein kinase 2, alpha polypeptide, putative Get druggable targets OG5_126901 All targets in OG5_126901
Schistosoma japonicum Serine/threonine-protein kinase PLK1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium knowlesi casein kinase 2, alpha subunit, putative Get druggable targets OG5_126901 All targets in OG5_126901
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 Get druggable targets OG5_128147 All targets in OG5_128147
Brugia malayi Casein kinase II, alpha chain 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 mexicana rac serine-threonine kinase, putative,protein kinase, putative Get druggable targets OG5_128147 All targets in OG5_128147
Schistosoma mansoni protein kinase Get druggable targets OG5_126901 All targets in OG5_126901
Trypanosoma brucei polo-like protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum Ribosomal protein S6 kinase alpha-2, putative Get druggable targets OG5_128147 All targets in OG5_128147
Loa Loa (eye worm) CMGC/CK2 protein kinase Get druggable targets OG5_126901 All targets in OG5_126901
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans Casein kinase II alpha' subunit 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
Loa Loa (eye worm) AGC/RSK/RSK protein kinase Get druggable targets OG5_128147 All targets in OG5_128147
Loa Loa (eye worm) camk/mapkapk/mapkapk protein kinase Get druggable targets OG5_131483 All targets in OG5_131483
Echinococcus multilocularis MAP kinase activated protein kinase 2 Get druggable targets OG5_131483 All targets in OG5_131483
Entamoeba histolytica casein kinase, putative Get druggable targets OG5_126901 All targets in OG5_126901
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_127396 All targets in OG5_127396
Echinococcus multilocularis casein kinase ii subunit alpha Get druggable targets OG5_126901 All targets in OG5_126901
Trypanosoma brucei gambiense polo-like protein kinase,protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania mexicana casein kinase II, putative Get druggable targets OG5_126901 All targets in OG5_126901
Leishmania braziliensis rac serine-threonine kinase, putative,protein kinase, putative Get druggable targets OG5_128147 All targets in OG5_128147
Trypanosoma congolense casein kinase II, putative 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 braziliensis casein kinase II, putative Get druggable targets OG5_126901 All targets in OG5_126901
Echinococcus granulosus serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CMGC family protein kinase 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
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi ribosomal protein S6 kinase alpha 3 Get druggable targets OG5_128147 All targets in OG5_128147
Leishmania mexicana protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Giardia lamblia Kinase, AGC AKT Get druggable targets OG5_128147 All targets in OG5_128147
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K06631 polo-like kinase 1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus MAP kinase activated protein kinase 2 Get druggable targets OG5_131483 All targets in OG5_131483
Trypanosoma cruzi casein kinase II, putative Get druggable targets OG5_126901 All targets in OG5_126901
Loa Loa (eye worm) PLK/PLK1 protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei gambiense casein kinase II, putative Get druggable targets OG5_126901 All targets in OG5_126901
Leishmania infantum protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania donovani casein kinase II, putative Get druggable targets OG5_126901 All targets in OG5_126901
Schistosoma japonicum ko:K04443 mitogen-activated protein kinase-activated protein kinase 2, putative Get druggable targets OG5_131483 All targets in OG5_131483
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CMGC family protein kinase 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
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus 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
Onchocerca volvulus Serine\/threonine kinase homolog Get druggable targets OG5_127396 All targets in OG5_127396
Cryptosporidium hominis protein kinase domain Get druggable targets OG5_126901 All targets in OG5_126901
Candida albicans Serine/threonine protein kinase Get druggable targets OG5_128147 All targets in OG5_128147
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126901 All targets in OG5_126901
Schistosoma japonicum IPR000719,Protein kinase,domain-containing Get druggable targets OG5_128147 All targets in OG5_128147
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi map kinase activated protein kinase protein 2 Get druggable targets OG5_131483 All targets in OG5_131483
Toxoplasma gondii CMGC kinase, CK2 family 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
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 Get druggable targets OG5_128147 All targets in OG5_128147
Neospora caninum hypothetical protein Get druggable targets OG5_126901 All targets in OG5_126901
Leishmania major rac serine-threonine kinase, putative,protein kinase, putative Get druggable targets OG5_128147 All targets in OG5_128147
Theileria parva casein kinase II, alpha chain Get druggable targets OG5_126901 All targets in OG5_126901
Leishmania infantum rac serine-threonine kinase, putative,protein kinase, putative Get druggable targets OG5_128147 All targets in OG5_128147
Leishmania donovani rac serine-threonine kinase, putative Get druggable targets OG5_128147 All targets in OG5_128147
Leishmania braziliensis protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania infantum casein kinase II, putative Get druggable targets OG5_126901 All targets in OG5_126901
Trichomonas vaginalis CAMK family 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
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium falciparum casein kinase 2, alpha subunit 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
Schistosoma japonicum IPR000719,Protein kinase;IPR011009,Protein kinase-like,domain-containing Get druggable targets OG5_128147 All targets in OG5_128147
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 1 polypeptide 391 aa 316 aa 51.3 %
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase-activated protein kinase 2 370 aa 303 aa 26.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0111 0.0611 0.1132
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0263 0.3412 0.7278
Giardia lamblia Kinase, PLK 0.0116 0.0702 0.4649
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.016 0.151 1
Loa Loa (eye worm) hypothetical protein 0.0116 0.0719 0.072
Plasmodium falciparum casein kinase 2, alpha subunit 0.0083 0.0095 0.5
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.012 0.0778 0.0788
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.0702 0.1332
Brugia malayi serine/threonine-protein kinase plk-2 0.0116 0.0702 0.1332
Plasmodium vivax casein kinase 2, alpha subunit, putative 0.0083 0.0095 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0116 0.0702 0.0613
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.0702 0.1332
Loa Loa (eye worm) camk/mapkapk/mapkapk protein kinase 0.0219 0.2598 0.2888
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0321 0.4472 0.9605
Toxoplasma gondii CMGC kinase, CK2 family 0.0083 0.0095 0.5
Loa Loa (eye worm) phosphatidylinositol 3 0.0554 0.876 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0331 0.4652 1
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0111 0.0611 0.0521
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0331 0.4652 1
Entamoeba histolytica hypothetical protein 0.0263 0.3412 0.7278
Trypanosoma brucei polo-like protein kinase 0.0116 0.0702 1
Loa Loa (eye worm) hypothetical protein 0.0214 0.2513 0.279
Brugia malayi map kinase activated protein kinase protein 2 0.0219 0.2598 0.5492
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0331 0.4652 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0331 0.4652 1
Plasmodium vivax unspecified product 0.0083 0.0095 0.5
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0111 0.0611 0.1132
Onchocerca volvulus Serine\/threonine kinase homolog 0.0116 0.0702 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.0702 0.1332
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0116 0.0702 0.0613
Schistosoma mansoni serine/threonine protein kinase 0.0219 0.2598 0.2526
Echinococcus granulosus MAP kinase activated protein kinase 2 0.0219 0.2598 0.2526
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0111 0.0611 0.1132
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0147 0.1273 0.2584
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.0702 0.1332
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0331 0.4652 1
Schistosoma mansoni serine/threonine protein kinase 0.012 0.0778 0.069
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0227 0.275 0.5827
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.012 0.0778 0.069
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.012 0.0778 0.069
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.0702 0.1332
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0214 0.2513 0.2441
Trypanosoma cruzi polo-like protein kinase, putative 0.0116 0.0702 0.1332
Echinococcus multilocularis MAP kinase activated protein kinase 2 0.0219 0.2598 0.2526
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0214 0.2513 0.5305
Trypanosoma cruzi polo-like protein kinase, putative 0.0116 0.0702 0.1332
Entamoeba histolytica serine/threonine protein kinase, putative 0.0116 0.0702 0.1332
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0331 0.4652 1
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0116 0.0702 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0111 0.0611 0.1132
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0101 0.0431 0.0738
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.0702 0.1332
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0622 1 1
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0227 0.275 0.5827
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0116 0.0702 0.0701
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0111 0.0611 0.1132
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.0702 0.1332
Giardia lamblia Kinase, AGC AKT 0.0103 0.0469 0.3106
Brugia malayi ribosomal protein S6 kinase alpha 3 0.0103 0.0469 0.0821
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0622 1 1
Giardia lamblia Kinase, CMGC CK2 0.0083 0.0095 0.063
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0116 0.0702 0.0613
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0111 0.0611 0.8501
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0111 0.0611 0.1132
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0111 0.0611 0.1132
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0291 0.3928 0.8412
Leishmania major rac serine-threonine kinase, putative,protein kinase, putative 0.0103 0.0469 0.6161
Loa Loa (eye worm) phosphatidylinositol 3 0.0101 0.0431 0.0388
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0331 0.4652 1
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0214 0.2513 0.2441

Activities

Activity type Activity value Assay description Source Reference
Ki (functional) = 4.9 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CSNK2A1 ChEMBL. No reference
Ki (functional) = 5 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAPKAPK2 ChEMBL. No reference
Ki (functional) = 5.1 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: RPS6KA3 ChEMBL. No reference
Ki (functional) = 5.2 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PLK3 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.

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