Detailed information for compound 1637625

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 272.304 | Formula: C17H12N4
  • H donors: 0 H acceptors: 3 LogP: 3.05 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: c1ccc(nc1)n1ncc(c1)c1ccnc2c1cccc2
  • InChi: 1S/C17H12N4/c1-2-6-16-15(5-1)14(8-10-18-16)13-11-20-21(12-13)17-7-3-4-9-19-17/h1-12H
  • InChiKey: RYNJVAAFSBRXKS-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 glutamate receptor, metabotropic 4 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum hypothetical protein Get druggable targets OG5_127095 All targets in OG5_127095
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) Get druggable targets OG5_127095 All targets in OG5_127095
Schistosoma japonicum ko:K04606 glutamate receptor, metabotropic 3, putative Get druggable targets OG5_127095 All targets in OG5_127095
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127095 All targets in OG5_127095
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative Get druggable targets OG5_127095 All targets in OG5_127095
Loa Loa (eye worm) glutamate receptor Get druggable targets OG5_127095 All targets in OG5_127095
Echinococcus granulosus metabotropic glutamate receptor 5 Get druggable targets OG5_127095 All targets in OG5_127095
Echinococcus multilocularis metabotropic glutamate receptor 5 Get druggable targets OG5_127095 All targets in OG5_127095
Echinococcus granulosus metabotropic glutamate receptor 2 Get druggable targets OG5_127095 All targets in OG5_127095
Schistosoma mansoni metabotropic glutamate receptor Get druggable targets OG5_127095 All targets in OG5_127095
Brugia malayi Metabotropic glutamate receptor precursor. Get druggable targets OG5_127095 All targets in OG5_127095
Echinococcus multilocularis metabotropic glutamate receptor 2 Get druggable targets OG5_127095 All targets in OG5_127095
Schistosoma japonicum Metabotropic glutamate receptor precursor, putative Get druggable targets OG5_127095 All targets in OG5_127095
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
Echinococcus multilocularis transient receptor potential gamma protein 0.011 0.0099 0.2309
Echinococcus granulosus short transient receptor potential channel 6 0.0073 0.0048 0.1124
Schistosoma mansoni inositol transporter 0.0039 0.0002 0.0002
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.4588 0.6186 1
Brugia malayi Metabotropic glutamate receptor precursor. 0.0061 0.0033 0.0759
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0051 0.0019 0.0443
Loa Loa (eye worm) transcription factor SMAD2 0.0135 0.0133 0.3118
Echinococcus granulosus sodium:glucose cotransporter 2 0.0039 0.0002 0.0043
Schistosoma mansoni transient receptor potential channel 4 0.011 0.0099 0.0098
Echinococcus multilocularis high affinity choline transporter 1 0.0351 0.0426 1
Echinococcus multilocularis solute carrier family 5 0.0039 0.0002 0.0043
Echinococcus multilocularis sodium:myo inositol cotransporter 0.0039 0.0002 0.0043
Echinococcus granulosus sodium coupled monocarboxylate transporter 1 0.0039 0.0002 0.0043
Schistosoma mansoni hypothetical protein 0.0191 0.021 0.021
Echinococcus granulosus geminin 0.0191 0.021 0.4919
Schistosoma mansoni high-affinity choline transporter 0.0351 0.0426 0.0426
Mycobacterium ulcerans hypothetical protein 0.0037 0 0.5
Echinococcus granulosus solute carrier family 5 0.0039 0.0002 0.0043
Loa Loa (eye worm) hypothetical protein 0.0039 0.0002 0.0049
Schistosoma mansoni transient receptor potential channel 0.0073 0.0048 0.0048
Echinococcus granulosus transient receptor potential gamma protein 0.011 0.0099 0.2309
Loa Loa (eye worm) glutamate receptor 0.0061 0.0033 0.0765
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0 0.5
Mycobacterium ulcerans beta-lactamase 0.0037 0 0.5
Plasmodium falciparum dipeptidyl aminopeptidase 2 0.7394 1 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0135 0.0133 0.3118
Plasmodium vivax dipeptidyl aminopeptidase 1, putative 0.7394 1 1
Toxoplasma gondii preprocathepsin c precursor, putative 0.7394 1 1
Mycobacterium ulcerans lipase LipD 0.0037 0 0.5
Echinococcus granulosus metabotropic glutamate receptor 2 0.0051 0.0019 0.0443
Echinococcus multilocularis TRP (transient receptor potential) channel 0.0041 0.0005 0.011
Loa Loa (eye worm) hypothetical protein 0.0037 0 0.0006
Echinococcus multilocularis short transient receptor potential channel 6 0.0073 0.0048 0.1124
Loa Loa (eye worm) hypothetical protein 0.0037 0 0.0006
Plasmodium vivax dipeptidyl aminopeptidase 2, putative 0.7394 1 1
Plasmodium falciparum dipeptidyl aminopeptidase 1 0.7394 1 1
Loa Loa (eye worm) hypothetical protein 0.0037 0 0.0006
Loa Loa (eye worm) hypothetical protein 0.0037 0 0.0006
Echinococcus granulosus TRP transient receptor potential channel 0.0041 0.0005 0.011
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0 0.5
Echinococcus granulosus short transient receptor potential channel 6 0.0073 0.0048 0.1124
Onchocerca volvulus 0.0039 0.0002 1
Echinococcus granulosus high affinity choline transporter 1 0.0351 0.0426 1
Plasmodium vivax dipeptidyl aminopeptidase 3, putative 0.2806 0.3763 0.3763
Loa Loa (eye worm) hypothetical protein 0.0037 0 0.0006
Schistosoma mansoni transient receptor potential channel 0.0073 0.0048 0.0048
Schistosoma mansoni hypothetical protein 0.0191 0.021 0.021
Echinococcus granulosus sodium:myo inositol cotransporter 0.0039 0.0002 0.0043
Echinococcus granulosus transient receptor potential ion channel A 0.0106 0.0094 0.2192
Mycobacterium leprae Probable lipase LipE 0.0037 0 0.5
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0069 0.0044 0.0044
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0055 0.0025 0.0576
Echinococcus multilocularis sodium coupled monocarboxylate transporter 1 0.0039 0.0002 0.0043
Brugia malayi GH02984p 0.0351 0.0426 1
Loa Loa (eye worm) hypothetical protein 0.0037 0 0.0006
Echinococcus granulosus metabotropic glutamate receptor 5 0.0075 0.0052 0.121
Schistosoma mansoni sodium/solute symporter 0.0039 0.0002 0.0002
Toxoplasma gondii transporter, solute:sodium symporter (SSS) family protein 0.0039 0.0002 0.0002
Echinococcus multilocularis transient receptor potential ion channel A 0.0106 0.0094 0.2192
Schistosoma mansoni metabotropic glutamate receptor 0.0051 0.0019 0.0019
Trypanosoma brucei hypothetical protein, conserved 0.0037 0 0.5
Echinococcus multilocularis sodium:glucose cotransporter 2 0.0039 0.0002 0.0043
Toxoplasma gondii cathepsin CPC2 0.2806 0.3763 0.3763
Echinococcus multilocularis geminin 0.0191 0.021 0.4919
Brugia malayi Transient-receptor-potential like protein 0.0041 0.0005 0.011
Loa Loa (eye worm) hypothetical protein 0.0351 0.0426 1
Brugia malayi Sodium:solute symporter family protein 0.0039 0.0002 0.0043
Echinococcus granulosus sodium:glucose cotransporter 0.0039 0.0002 0.0043
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.7394 1 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.0052 0.1215
Schistosoma mansoni inositol transporter 0.0039 0.0002 0.0002
Brugia malayi MH2 domain containing protein 0.0135 0.0133 0.3113
Mycobacterium leprae conserved hypothetical protein 0.0037 0 0.5
Schistosoma mansoni transient receptor potential channel 0.011 0.0099 0.0098
Loa Loa (eye worm) hypothetical protein 0.0069 0.0043 0.1013
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0 0.5
Leishmania major hypothetical protein, conserved 0.0037 0 0.5
Echinococcus multilocularis short transient receptor potential channel 6 0.0073 0.0048 0.1124
Loa Loa (eye worm) hypothetical protein 0.0041 0.0005 0.0117
Loa Loa (eye worm) hypothetical protein 0.011 0.0099 0.2313
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0238 0.0274 1
Toxoplasma gondii cathepsin CPC1 0.7394 1 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0 0.0006
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0075 0.0052 0.121
Loa Loa (eye worm) beta-lactamase 0.0037 0 0.0006

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) = 2100 nM Positive allosteric modulation of human mGlu4 receptor expressed in BHK cells assessed as potentiation of glutamate-induced calcium mobilization by FLIPR analysis ChEMBL. 22465637
Emax (binding) = 92 % Positive allosteric modulation of human mGlu4 receptor expressed in BHK cells assessed as potentiation of glutamate-induced calcium mobilization by FLIPR analysis relative to PHCCC ChEMBL. 22465637

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

1 literature reference was collected for this gene.

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