Detailed information for compound 865867

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 294.308 | Formula: C16H14N4O2
  • H donors: 2 H acceptors: 3 LogP: 2.16 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Cn1cnc2c1cccc2)N/N=C/c1ccccc1O
  • InChi: 1S/C16H14N4O2/c21-15-8-4-1-5-12(15)9-18-19-16(22)10-20-11-17-13-6-2-3-7-14(13)20/h1-9,11,21H,10H2,(H,19,22)/b18-9+
  • InChiKey: IOWSAUOULFUSPW-GIJQJNRQSA-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
Entamoeba histolytica hypothetical protein 0.0137 0.0305 0.5
Onchocerca volvulus 0.0137 0.0305 0.4803
Echinococcus multilocularis receptor type guanylyl cyclase 0.0137 0.0305 0.0305
Echinococcus multilocularis hyperpolarization activated cyclic 0.0055 0.0045 0.0045
Trypanosoma cruzi extracellular receptor, putative 0.0137 0.0305 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0055 0.0045 0.0202
Treponema pallidum amino acid ABC transporter, periplasmic binding protein (hisJ) 0.0684 0.2042 1
Brugia malayi Cyclic-nucleotide gated cation channel 0.0055 0.0045 0.0595
Onchocerca volvulus 0.0236 0.0619 0.9755
Echinococcus granulosus atrial natriuretic peptide receptor 0.0137 0.0305 0.0305
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0404 0.1152 0.1152
Echinococcus multilocularis glutamate receptor 2 0.0137 0.0305 0.0305
Schistosoma mansoni 60S ribosomal protein L21 0.0044 0.0009 0.0011
Loa Loa (eye worm) hypothetical protein 0.0137 0.0305 0.4052
Mycobacterium tuberculosis Probable glutamine-binding lipoprotein GlnH (GLNBP) 0.0684 0.2042 0.5
Echinococcus granulosus mitogen activated protein kinase 0.0051 0.0031 0.0031
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0117 0.0243 0.0243
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0055 0.0045 0.0054
Plasmodium vivax amine transporter, putative 0.0041 0 0.5
Schistosoma mansoni glutamate receptor NMDA 0.0267 0.0717 0.0868
Brugia malayi hypothetical protein 0.0137 0.0305 0.4052
Loa Loa (eye worm) solute carrier family 6 member 4 0.0241 0.0634 0.8437
Loa Loa (eye worm) hypothetical protein 0.0137 0.0305 0.4052
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0137 0.0305 0.4052
Loa Loa (eye worm) RGC/RGC protein kinase 0.0137 0.0305 0.4052
Schistosoma mansoni sodium/chloride dependent transporter 0.0041 0.0001 0.0002
Onchocerca volvulus 0.0241 0.0634 1
Echinococcus multilocularis glutamate receptor ionotropic kainate 0.0267 0.0717 0.0717
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0055 0.0045 0.0595
Treponema pallidum amino acid ABC transporter, periplasmic binding protein 0.0684 0.2042 1
Schistosoma mansoni voltage-gated potassium channel 0.0055 0.0045 0.0054
Brugia malayi Glutamate receptor 1 precursor 0.0267 0.0717 0.9545
Echinococcus multilocularis NMDA receptor 0.0267 0.0717 0.0717
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0055 0.0045 0.0054
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0404 0.1152 0.1152
Echinococcus granulosus glutamate receptor 2 0.0404 0.1152 0.1152
Loa Loa (eye worm) cytochrome P450 family protein 0.0052 0.0036 0.0474
Schistosoma mansoni sodium/chloride dependent transporter 0.0241 0.0634 0.0768
Schistosoma mansoni voltage-gated potassium channel 0.008 0.0126 0.0152
Schistosoma mansoni glutamate receptor kainate 0.0267 0.0717 0.0868
Brugia malayi Receptor family ligand binding region containing protein 0.0137 0.0305 0.4052
Echinococcus granulosus glutamate receptor subunit protein glur 0.0267 0.0717 0.0717
Brugia malayi MAP kinase sur-1 0.0051 0.0031 0.0416
Loa Loa (eye worm) hypothetical protein 0.0137 0.0305 0.4052
Chlamydia trachomatis glutamine binding protein 0.0684 0.2042 1
Schistosoma mansoni voltage-gated potassium channel 0.0303 0.0833 0.1008
Echinococcus granulosus glutamate receptor 2 0.0137 0.0305 0.0305
Echinococcus granulosus voltage gated potassium channel 0.008 0.0126 0.0126
Chlamydia trachomatis arginine ABC transporter substrate-binding protein ArtJ 0.0684 0.2042 1
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0137 0.0305 0.4052
Plasmodium falciparum amino acid transporter, putative 0.0041 0 0.5
Echinococcus multilocularis mitogen activated protein kinase 0.0051 0.0031 0.0031
Loa Loa (eye worm) hypothetical protein 0.0241 0.0634 0.8437
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0051 0.0031 0.0416
Echinococcus multilocularis nmda type glutamate receptor 0.2378 0.7416 0.7416
Mycobacterium ulcerans glutamine-binding lipoprotein GlnH 0.0684 0.2042 0.5
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0055 0.0045 0.0045
Brugia malayi Guanylyl cyclase protein 23 0.0137 0.0305 0.4052
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0951 0.2889 0.2889
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0241 0.0634 0.8437
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0055 0.0045 0.0054
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0055 0.0045 0.0054
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0055 0.0045 0.0045
Echinococcus multilocularis serotonin transporter 0.0241 0.0634 0.0634
Loa Loa (eye worm) glutamate receptor 1 0.0267 0.0717 0.9545
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0404 0.1152 0.1152
Echinococcus granulosus metabotropic glutamate receptor 2 0.0137 0.0305 0.0305
Echinococcus multilocularis glutamate receptor NMDA 0.2241 0.6982 0.6982
Schistosoma mansoni protein kinase 0.0137 0.0305 0.0369
Echinococcus multilocularis tyrosine kinase 0.0137 0.0305 0.0305
Loa Loa (eye worm) norepinephrine transporter 0.0241 0.0634 0.8437
Schistosoma mansoni tyrosine kinase 0.0137 0.0305 0.0369
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0055 0.0045 0.0595
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0278 0.0752 1
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0051 0.0031 1
Schistosoma mansoni glutamate receptor AMPA 0.0267 0.0717 0.0868
Loa Loa (eye worm) glutamate receptor 0.0137 0.0305 0.4052
Echinococcus granulosus glutamate receptor ionotropic kainate 0.0267 0.0717 0.0717
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0137 0.0305 0.0305
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0404 0.1152 0.1152
Schistosoma mansoni ATP-binding cassette transporter 0.0267 0.0717 0.0868
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0055 0.0045 0.0045
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0055 0.0045 0.0045
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0207 0.0528 0.7022
Loa Loa (eye worm) hypothetical protein 0.0137 0.0305 0.4052
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0241 0.0634 0.0768
Brugia malayi metabotropic glutamate receptor type 2 0.0137 0.0305 0.4052
Loa Loa (eye worm) RGC/RGC protein kinase 0.0137 0.0305 0.4052
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0267 0.0717 0.0717
Schistosoma mansoni glutamate receptor kainate 0.0267 0.0717 0.0868
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.026 0.0694 1
Echinococcus multilocularis mitogen activated protein kinase 3 0.0051 0.0031 0.0031
Echinococcus granulosus metabotropic glutamate receptor 5 0.0137 0.0305 0.0305
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0137 0.0305 0.4052
Brugia malayi Metabotropic glutamate receptor precursor. 0.0137 0.0305 0.4052
Echinococcus multilocularis glutamate receptor 2 0.0267 0.0717 0.0717
Loa Loa (eye worm) hypothetical protein 0.0241 0.0635 0.8452
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0137 0.0305 0.0305
Schistosoma mansoni metabotropic glutamate receptor 0.0137 0.0305 0.0369
Schistosoma mansoni voltage-gated potassium channel 0.008 0.0126 0.0152
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.008 0.0126 0.1672
Schistosoma mansoni lipoxygenase 0.0117 0.0243 0.0294
Brugia malayi Receptor family ligand binding region containing protein 0.0137 0.0305 0.4052
Schistosoma mansoni glutamate receptor kainate 0.0267 0.0717 0.0868
Onchocerca volvulus Atrial natriuretic peptide receptor 3 homolog 0.0137 0.0305 0.4803
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0278 0.0752 1
Echinococcus multilocularis voltage gated potassium channel 0.008 0.0126 0.0126
Trichomonas vaginalis set domain proteins, putative 0.0236 0.0619 0.8867
Echinococcus granulosus glutamate receptor ionotropic kainate 3 0.0267 0.0717 0.0717
Loa Loa (eye worm) hypothetical protein 0.008 0.0126 0.1672
Echinococcus multilocularis hyperpolarization activated cyclic 0.0055 0.0045 0.0045
Schistosoma mansoni hypothetical protein 0.0267 0.0717 0.0868
Echinococcus granulosus tyrosine kinase 0.0137 0.0305 0.0305
Echinococcus granulosus serotonin transporter 0.0241 0.0634 0.0634
Schistosoma mansoni metabotropic glutamate receptor 0.0137 0.0305 0.0369
Loa Loa (eye worm) serotonin transporter b 0.0241 0.0634 0.8437
Echinococcus granulosus glutamate NMDA receptor subunit 0.0267 0.0717 0.0717
Brugia malayi Pre-SET motif family protein 0.0207 0.0528 0.7022
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.026 0.0694 1
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0404 0.1152 0.1152
Loa Loa (eye worm) hypothetical protein 0.0137 0.0305 0.4052
Loa Loa (eye worm) glutamate receptor 2 0.0267 0.0717 0.9545
Loa Loa (eye worm) metabotropic glutamate receptor 8 0.0137 0.0305 0.4052
Giardia lamblia Kinase, CMGC MAPK 0.0051 0.0031 0.5
Plasmodium falciparum transporter, putative 0.0041 0 0.5
Trypanosoma brucei protein kinase, putative 0.0051 0.0031 0.5
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0117 0.0243 0.0243
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0404 0.1152 0.1152
Echinococcus multilocularis Ribosomal protein S1, RNA binding domain 0.0267 0.0717 0.0717
Schistosoma mansoni tyrosine kinase 0.0137 0.0305 0.0369
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0404 0.1152 0.1152
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0051 0.0031 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0.0045 0.0595
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0055 0.0045 0.0202
Schistosoma mansoni glutamate receptor AMPA 0.0267 0.0717 0.0868
Echinococcus granulosus Ribosomal protein S1 RNA binding domain 0.0267 0.0717 0.0717
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0278 0.0752 0.0752
Echinococcus multilocularis atrial natriuretic peptide receptor 0.0137 0.0305 0.0305
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0055 0.0045 0.0045
Leishmania major extracellular receptor, putative 0.0137 0.0305 1
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0055 0.0045 0.0054
Echinococcus granulosus glutamate receptor NMDA 0.2241 0.6982 0.6982
Echinococcus granulosus nmda type glutamate receptor 0.2378 0.7416 0.7416
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0055 0.0045 0.0045
Schistosoma mansoni voltage-gated potassium channel 0.0303 0.0833 0.1008
Schistosoma mansoni glutamate receptor NMDA 0.2645 0.8263 1
Loa Loa (eye worm) hypothetical protein 0.0137 0.0305 0.4052
Echinococcus multilocularis nmda type glutamate receptor 0.3193 1 1
Echinococcus granulosus hyperpolarization activated cyclic 0.0055 0.0045 0.0045
Loa Loa (eye worm) hypothetical protein 0.0137 0.0305 0.4052
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.008 0.0126 0.0126
Plasmodium vivax hypothetical protein, conserved 0.0041 0 0.5
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0404 0.1152 0.1152
Brugia malayi Glutamate receptor 2 precursor 0.0267 0.0717 0.9545
Schistosoma mansoni serine/threonine protein kinase 0.0051 0.0031 0.0038
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0278 0.0752 0.0752
Echinococcus granulosus mitogen activated protein kinase 3 0.0051 0.0031 0.0031
Schistosoma mansoni voltage-gated potassium channel 0.0044 0.0009 0.0011
Loa Loa (eye worm) hypothetical protein 0.0137 0.0305 0.4052
Onchocerca volvulus 0.0137 0.0305 0.4803
Echinococcus granulosus receptor type guanylyl cyclase 0.0137 0.0305 0.0305
Loa Loa (eye worm) hypothetical protein 0.0241 0.0634 0.8437
Schistosoma mansoni lipoxygenase 0.0082 0.0131 0.0158
Echinococcus multilocularis glutamate receptor 2 0.0404 0.1152 0.1152
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0055 0.0045 0.0045
Loa Loa (eye worm) RGC/RGC protein kinase 0.0137 0.0305 0.4052
Echinococcus granulosus hyperpolarization activated cyclic 0.0055 0.0045 0.0045
Brugia malayi Cytochrome P450 family protein 0.0052 0.0036 0.0474
Loa Loa (eye worm) hypothetical protein 0.0241 0.0634 0.8437
Echinococcus granulosus potassium voltage gated channel subfamily H 0.008 0.0126 0.0126
Loa Loa (eye worm) hypothetical protein 0.0137 0.0305 0.4052
Echinococcus multilocularis glutamate receptor subunit protein glur 0.0267 0.0717 0.0717

Activities

No activities found for this compound.

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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