Detailed information for compound 1821069

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 184.196 | Formula: C7H12N4O2
  • H donors: 1 H acceptors: 3 LogP: -0.65 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1O[C@@H](C[C@@H]1CO)n1ccnn1
  • InChi: 1S/C7H12N4O2/c1-10-6(5-12)4-7(13-10)11-3-2-8-9-11/h2-3,6-7,12H,4-5H2,1H3/t6-,7+/m1/s1
  • InChiKey: YEEPZTFQZFAFSD-RQJHMYQMSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Probable transmembrane serine/threonine-protein kinase I PknI (protein kinase I) (STPK I) (phosphorylase B kinase kinase) (hydro 0.0021 0 0.5
Onchocerca volvulus 0.0021 0 0.5
Plasmodium vivax serine/threonine-protein kinase PRP4K, putative 0.0021 0 0.5
Plasmodium vivax protein kinase Crk2 0.0021 0 0.5
Plasmodium vivax protein kinase, putative 0.0021 0 0.5
Trypanosoma brucei kinatase, putative 0.0022 0.0003 0.0003
Mycobacterium tuberculosis Serine/threonine-protein kinase PknG (protein kinase G) (STPK G) 0.0021 0 0.5
Plasmodium vivax serine/threonine protein kinase, putative 0.0021 0 0.5
Onchocerca volvulus 0.0021 0 0.5
Trypanosoma brucei protein kinase, putative 0.2315 1 1
Plasmodium vivax mitogen-activated protein kinase 1, putative 0.0021 0 0.5
Schistosoma mansoni protein kinase 0.0028 0.003 0.003
Entamoeba histolytica protein kinase domain containing protein 0.0028 0.003 1
Onchocerca volvulus 0.0021 0 0.5
Plasmodium vivax 3-phosphoinositide dependent protein kinase-1, putative 0.0021 0 0.5
Onchocerca volvulus 0.0021 0 0.5
Schistosoma mansoni serine/threonine protein kinase 0.2315 1 1
Mycobacterium ulcerans anchored-membrane serine/threonine-protein kinase PknF 0.0021 0 0.5
Plasmodium vivax protein kinase, putative 0.0021 0 0.5
Onchocerca volvulus 0.0021 0 0.5
Plasmodium vivax protein kinase domain containing protein 0.0021 0 0.5
Schistosoma mansoni protein kinase 0.0028 0.003 0.003
Plasmodium vivax protein kinase, putative 0.0021 0 0.5
Echinococcus granulosus activin receptor type 0.0028 0.003 0.003
Plasmodium vivax protein kinase domain containing protein 0.0021 0 0.5
Onchocerca volvulus 0.0021 0 0.5
Chlamydia trachomatis serine/threonine protein kinase 0.0021 0 0.5
Onchocerca volvulus 0.0021 0 0.5
Plasmodium vivax serine/threonine-protein kinase NEK4, putative 0.0021 0 0.5
Onchocerca volvulus 0.0021 0 0.5
Onchocerca volvulus 0.0021 0 0.5
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.2315 1 1
Plasmodium vivax protein kinase, putative 0.0021 0 0.5
Plasmodium vivax protein kinase domain containing protein 0.0021 0 0.5
Plasmodium vivax tyrosine kinase-like protein, putative 0.0021 0 0.5
Onchocerca volvulus 0.0021 0 0.5
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.2315 1 1
Onchocerca volvulus 0.0021 0 0.5
Plasmodium vivax cdc2-like protein kinase, putative 0.0021 0 0.5
Onchocerca volvulus 0.0021 0 0.5
Onchocerca volvulus 0.0021 0 0.5
Leishmania major dual specificity protein phosphatase, putative 0.0022 0.0003 0.0003
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.2315 1 1
Echinococcus granulosus mitogen activated protein kinase 3 0.2315 1 1
Plasmodium vivax NIMA-related protein kinase (Pfnek-1), putative 0.0021 0 0.5
Plasmodium vivax cyclin dependent kinase 7 (cdk7), putative 0.0021 0 0.5
Onchocerca volvulus Protein kinase homolog 0.0021 0 0.5
Mycobacterium ulcerans membrane-anchored serine/threonine-protein kinase 0.0021 0 0.5
Plasmodium vivax serine/threonine protein kinase, putative 0.0021 0 0.5
Plasmodium vivax protein kinase, putative 0.0021 0 0.5
Plasmodium vivax serine/threonine protein kinase, putative 0.0021 0 0.5
Plasmodium vivax glycogen synthase kinase 3, putative 0.0021 0 0.5
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0021 0 0.5
Onchocerca volvulus 0.0021 0 0.5
Onchocerca volvulus 0.0021 0 0.5
Trichomonas vaginalis CMGC family protein kinase 0.2315 1 1
Plasmodium vivax serine/threonine-protein kinase 2, putative 0.0021 0 0.5
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.2315 1 1
Plasmodium vivax serine/threonine-specific protein kinase, putative 0.0021 0 0.5
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0021 0 0.5
Onchocerca volvulus 0.0021 0 0.5
Onchocerca volvulus 0.0021 0 0.5
Onchocerca volvulus 0.0021 0 0.5
Giardia lamblia Kinase, CMGC MAPK 0.2315 1 1
Onchocerca volvulus 0.0021 0 0.5
Loa Loa (eye worm) TKL/LRRK protein kinase 0.0022 0.0003 0.0003
Onchocerca volvulus 0.0021 0 0.5
Plasmodium vivax CDK-related protein kinase 6, putative 0.0021 0 0.5
Mycobacterium leprae Probable transmembrane serine/threonine-protein kinase A PknA (protein kinase A) (STPK A) 0.0021 0 0.5
Plasmodium vivax cAMP-dependent protein kinase catalytic subunit, putative 0.0021 0 0.5
Onchocerca volvulus 0.0021 0 0.5
Plasmodium vivax serine/threonine protein kinase, putative 0.0021 0 0.5
Mycobacterium ulcerans serine/threonine-protein kinase transcriptional regulatory protein PknK_2 0.0021 0 0.5
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0028 0.003 0.003
Plasmodium vivax eukaryotic translation initiation factor 2-alpha kinase, putative 0.0021 0 0.5
Plasmodium vivax hypothetical protein, conserved 0.0021 0 0.5
Trypanosoma brucei STE/STE11 serine/threonine-protein kinase, putative 0.0028 0.003 0.003
Onchocerca volvulus 0.0021 0 0.5
Plasmodium vivax serine/threonine protein kinase, putative 0.0021 0 0.5
Plasmodium vivax hypothetical protein, conserved 0.0021 0 0.5
Mycobacterium tuberculosis Anchored-membrane serine/threonine-protein kinase PknF (protein kinase F) (STPK F) 0.0021 0 0.5
Plasmodium vivax casein kinase 2, alpha subunit, putative 0.0021 0 0.5
Plasmodium vivax unspecified product 0.0021 0 0.5
Trichomonas vaginalis CMGC family protein kinase 0.2315 1 1
Mycobacterium ulcerans serine/threonine-protein kinase PknF_2 0.0021 0 0.5
Onchocerca volvulus 0.0021 0 0.5
Plasmodium vivax calcium-dependent protein kinase, putative 0.0021 0 0.5
Onchocerca volvulus 0.0021 0 0.5
Mycobacterium ulcerans Ser/Thr protein kinase 0.0021 0 0.5
Onchocerca volvulus 0.0021 0 0.5
Onchocerca volvulus 0.0021 0 0.5
Mycobacterium ulcerans serine/threonine-protein kinase a PknA 0.0021 0 0.5
Onchocerca volvulus Serine\/threonine kinase homolog 0.0021 0 0.5
Onchocerca volvulus 0.0021 0 0.5
Leishmania major protein kinase, putative 0.0028 0.003 0.003
Plasmodium vivax serine/threonine-protein kinase Nek1, putative 0.0021 0 0.5
Plasmodium vivax calcium-dependent protein kinase, putative 0.0021 0 0.5
Plasmodium vivax cyclin g-associated kinase, putative 0.0021 0 0.5
Onchocerca volvulus 0.0021 0 0.5
Mycobacterium ulcerans Ser/Thr protein kinase 0.0021 0 0.5
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.2315 1 1
Trichomonas vaginalis CMGC family protein kinase 0.2315 1 1
Plasmodium vivax serine/threonine protein kinase, putative 0.0021 0 0.5
Onchocerca volvulus 0.0021 0 0.5
Onchocerca volvulus 0.0021 0 0.5
Echinococcus granulosus mitogen activated protein kinase 0.2315 1 1
Onchocerca volvulus 0.0021 0 0.5
Chlamydia trachomatis serine/threonine protein kinase 0.0021 0 0.5
Mycobacterium ulcerans transmembrane serine/threonine-protein kinase PknQ 0.0021 0 0.5
Plasmodium vivax protein kinase, putative 0.0021 0 0.5
Plasmodium vivax calcium-dependent protein kinase 6, putative 0.0021 0 0.5
Onchocerca volvulus 0.0021 0 0.5
Plasmodium vivax protein kinase domain containing protein 0.0021 0 0.5
Plasmodium vivax serine/threonine protein kinase, putative 0.0021 0 0.5
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0028 0.003 0.003
Mycobacterium tuberculosis Transmembrane serine/threonine-protein kinase A PknA (protein kinase A) (STPK A) 0.0021 0 0.5
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.2315 1 1
Onchocerca volvulus 0.0021 0 0.5
Echinococcus multilocularis dual specificity testis specific protein kinase 0.0028 0.003 0.003
Plasmodium vivax protein kinase domain containing protein 0.0021 0 0.5
Mycobacterium ulcerans Ser/Thr protein kinase 0.0021 0 0.5
Onchocerca volvulus 0.0021 0 0.5
Toxoplasma gondii calcium dependent protein kinase CDPK8 0.0028 0.003 0.003
Onchocerca volvulus 0.0021 0 0.5
Plasmodium vivax protein kinase domain containing protein 0.0021 0 0.5
Trypanosoma brucei Basal body protein 0.0022 0.0003 0.0003
Echinococcus multilocularis mitogen activated protein kinase 0.2315 1 1
Onchocerca volvulus 0.0021 0 0.5
Echinococcus granulosus tyrosine protein kinase Lyn 0.0028 0.003 0.003
Onchocerca volvulus 0.0021 0 0.5
Onchocerca volvulus 0.0021 0 0.5
Echinococcus multilocularis mitogen activated protein kinase 3 0.2315 1 1
Plasmodium vivax rac-beta serine/threonine protein kinase, putative 0.0021 0 0.5
Onchocerca volvulus Dual specificity protein kinase TTK homolog 0.0021 0 0.5
Plasmodium vivax serine/threonine protein kinase VPS15, putative 0.0021 0 0.5
Echinococcus multilocularis leucine rich repeat serine:threonine protein 0.0022 0.0003 0.0003
Onchocerca volvulus 0.0021 0 0.5
Onchocerca volvulus 0.0021 0 0.5
Plasmodium vivax serine/threonine-protein kinase Nek1, putative 0.0021 0 0.5
Onchocerca volvulus 0.0021 0 0.5
Plasmodium vivax serine/threonine protein kinase, putative 0.0021 0 0.5
Trypanosoma cruzi kinatase, putative 0.0022 0.0003 0.0003
Onchocerca volvulus 0.0021 0 0.5
Trypanosoma cruzi Calcium/calmodulin-dependent protein kinase kinase, putative 0.0022 0.0003 0.0003
Plasmodium vivax serine/threonine protein kinase, putative 0.0021 0 0.5
Plasmodium vivax EKC/KEOPS complex subunit BUD32, putative 0.0021 0 0.5
Onchocerca volvulus 0.0021 0 0.5
Plasmodium vivax calcium-dependent protein kinase 7, putative 0.0021 0 0.5
Onchocerca volvulus 0.0021 0 0.5
Trypanosoma cruzi kinatase, putative 0.0022 0.0003 0.0003
Onchocerca volvulus 0.0021 0 0.5
Mycobacterium ulcerans serine/threonine-protein kinase B PknB 0.0021 0 0.5
Mycobacterium tuberculosis Transmembrane serine/threonine-protein kinase B PknB (protein kinase B) (STPK B) 0.0021 0 0.5
Onchocerca volvulus 0.0021 0 0.5
Onchocerca volvulus Serine\/threonine protein kinase homolog 0.0021 0 0.5
Plasmodium vivax protein kinase, putative 0.0021 0 0.5
Onchocerca volvulus Kinase homolog 0.0021 0 0.5
Echinococcus granulosus dual specificity testis-specific protein kinase 0.0028 0.003 0.003
Onchocerca volvulus 0.0021 0 0.5
Echinococcus multilocularis activin receptor type 0.0028 0.003 0.003
Plasmodium vivax protein kinase, putative 0.0021 0 0.5
Onchocerca volvulus Serine\/threonine kinase homolog 0.0021 0 0.5
Onchocerca volvulus 0.0021 0 0.5
Onchocerca volvulus Asator homolog 0.0021 0 0.5
Onchocerca volvulus 0.0021 0 0.5
Chlamydia trachomatis serine/threonine-protein kinase 0.0021 0 0.5
Mycobacterium leprae PROBABLE TRANSMEMBRANE SERINE/THREONINE-PROTEIN KINASE L PKNL (PROTEIN KINASE L) (STPK L) 0.0021 0 0.5
Onchocerca volvulus 0.0021 0 0.5
Onchocerca volvulus 0.0021 0 0.5
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0021 0 0.5
Plasmodium vivax serine/threonine protein kinase KIN, putative 0.0021 0 0.5
Trichomonas vaginalis CMGC family protein kinase 0.2315 1 1
Plasmodium vivax protein kinase, putative 0.0021 0 0.5
Mycobacterium ulcerans serine/threonine-protein kinase transcriptional regulatory protein PknK_3 0.0021 0 0.5
Mycobacterium ulcerans serine/threonine-protein kinase PknG 0.0021 0 0.5
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.2315 1 1
Plasmodium vivax mitogen-activated protein kinase 2, putative 0.0021 0 0.5
Mycobacterium leprae Probable transmembrane serine/threonine-protein kinase B PknB (protein kinase B) (STPK B) 0.0021 0 0.5
Mycobacterium tuberculosis Probable transmembrane serine/threonine-protein kinase E PknE (protein kinase E) (STPK E) 0.0021 0 0.5
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.2315 1 1
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0021 0 0.5
Plasmodium vivax serine/threonine kinase-1, putative 0.0021 0 0.5
Plasmodium vivax serine/threonine protein kinase, FIKK family 0.0021 0 0.5
Onchocerca volvulus 0.0021 0 0.5
Trypanosoma cruzi Calcium/calmodulin-dependent protein kinase kinase, putative 0.0022 0.0003 0.0003
Plasmodium vivax hypothetical protein, conserved 0.0021 0 0.5
Schistosoma mansoni protein kinase 0.0028 0.003 0.003
Trypanosoma brucei protein kinase, putative 0.0028 0.003 0.003
Plasmodium vivax cdc2-related protein kinase 1, putative 0.0021 0 0.5
Onchocerca volvulus 0.0021 0 0.5
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0021 0 0.5
Mycobacterium tuberculosis Probable transmembrane serine/threonine-protein kinase H PknH (protein kinase H) (STPK H) 0.0021 0 0.5
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.2315 1 1
Plasmodium falciparum protein kinase, putative 0.0028 0.003 1
Mycobacterium ulcerans Ser/Thr protein kinase 0.0021 0 0.5
Onchocerca volvulus 0.0021 0 0.5
Plasmodium vivax casein kinase 1, putative 0.0021 0 0.5
Onchocerca volvulus 0.0021 0 0.5
Onchocerca volvulus 0.0021 0 0.5
Mycobacterium tuberculosis Serine/threonine-protein kinase transcriptional regulatory protein PknK (protein kinase K) (STPK K) 0.0021 0 0.5
Onchocerca volvulus 0.0021 0 0.5
Brugia malayi Protein kinase domain containing protein 0.0022 0.0003 0.0003
Plasmodium vivax tyrosine kinase-like protein, putative 0.0021 0 0.5
Onchocerca volvulus 0.0021 0 0.5
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0021 0 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 8.13 uM Cytotoxicity against human 8305C cells after 24 hrs by MTT assay ChEMBL. 24436994

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 24436994

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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