Detailed information for compound 1642101

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 358.393 | Formula: C21H18N4O2
  • H donors: 0 H acceptors: 3 LogP: 3.55 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N(C)C)Oc1ccc2c(c1)nccc2c1cnn(c1)c1ccccc1
  • InChi: 1S/C21H18N4O2/c1-24(2)21(26)27-17-8-9-19-18(10-11-22-20(19)12-17)15-13-23-25(14-15)16-6-4-3-5-7-16/h3-14H,1-2H3
  • InChiKey: QKXVLCDXRQTXMX-UHFFFAOYSA-N  

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 glutamate receptor, metabotropic 4 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
Schistosoma japonicum ko:K04606 glutamate receptor, metabotropic 3, putative 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
Loa Loa (eye worm) glutamate receptor 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
Echinococcus granulosus metabotropic glutamate receptor 5 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
Echinococcus multilocularis metabotropic glutamate receptor 5 Get druggable targets OG5_127095 All targets in OG5_127095
Schistosoma japonicum hypothetical protein 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
Brugia malayi Metabotropic glutamate receptor precursor. 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
Loa Loa (eye worm) cytochrome P450 family protein 0.1255 1 1
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0361 0.2704 0.5
Leishmania major cytochrome p450-like protein 0.1255 1 1
Brugia malayi Cytochrome P450 family protein 0.1255 1 1
Loa Loa (eye worm) CYP4Cod1 0.1255 1 1
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0361 0.2704 0.5
Echinococcus multilocularis 0.0361 0.2704 1
Trypanosoma cruzi cytochrome P450, putative 0.1255 1 1
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0361 0.2704 0.5
Mycobacterium leprae Conserved hypothetical protein 0.0361 0.2704 0.5
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0075 0.0371 0.0776
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0361 0.2704 0.5
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0361 0.2704 0.5
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0361 0.2704 0.5
Echinococcus granulosus cytochrome P450 2K1 0.0361 0.2704 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.1255 1 1
Brugia malayi Metabotropic glutamate receptor precursor. 0.0061 0.0256 0.0256
Schistosoma mansoni metabotropic glutamate receptor 0.0051 0.0175 0.0646
Loa Loa (eye worm) hypothetical protein 0.0075 0.0371 0.0118
Brugia malayi cytochrome P450 0.0361 0.2704 0.2704
Loa Loa (eye worm) hypothetical protein 0.0894 0.7053 0.6976
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0361 0.2704 0.5
Echinococcus granulosus metabotropic glutamate receptor 5 0.0075 0.0371 0.0776
Loa Loa (eye worm) cytochrome P450 0.0361 0.2704 0.2512
Trypanosoma brucei cytochrome P450, putative 0.1255 1 1
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0361 0.2704 0.5
Brugia malayi Cytochrome P450 family protein 0.0361 0.2704 0.2704
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0055 0.0209 0.0209
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0361 0.2704 0.5
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0361 0.2704 0.5
Schistosoma mansoni hypothetical protein 0.0361 0.2704 1
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0361 0.2704 0.5
Toxoplasma gondii cytochrome p450 superfamily protein 0.0361 0.2704 0.5
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0361 0.2704 0.5
Mycobacterium leprae putative cytochrome p450 0.0361 0.2704 0.5
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0361 0.2704 0.5
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0069 0.0324 0.1198
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0361 0.2704 0.5
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0361 0.2704 0.5
Trypanosoma cruzi cytochrome P450, putative 0.1255 1 1
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0361 0.2704 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.1255 1 1
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0361 0.2704 0.5
Brugia malayi Cytochrome P450 family protein 0.0361 0.2704 0.2704
Loa Loa (eye worm) cytochrome P450 family protein 0.0361 0.2704 0.2512
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0361 0.2704 0.5
Schistosoma mansoni cytochrome P450 0.0361 0.2704 1
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0361 0.2704 0.5
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0361 0.2704 0.5

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) = 950 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) = 82 % 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.

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