Detailed information for compound 1395079

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 410.468 | Formula: C25H22N4O2
  • H donors: 1 H acceptors: 2 LogP: 4.61 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)C1N(C(=O)Nc2c1c(C)nn2c1ccccc1)c1ccccc1
  • InChi: 1S/C25H22N4O2/c1-17-22-23(18-13-15-21(31-2)16-14-18)28(19-9-5-3-6-10-19)25(30)26-24(22)29(27-17)20-11-7-4-8-12-20/h3-16,23H,1-2H3,(H,26,30)
  • InChiKey: YZZHNVFJPXZURZ-UHFFFAOYSA-N  

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 glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Trichomonas vaginalis conserved hypothetical protein 0.0175 1 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.2712 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0102 0.0375
Brugia malayi intermediate filament protein 0.0033 0.0959 0.3537
Schistosoma mansoni intermediate filament proteins 0.0033 0.0959 0.0866
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0102 0.0375
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.0175 1 0.5
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0959 0.3537
Schistosoma mansoni hypothetical protein 0.0041 0.1504 0.1416
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0102 0.0375
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0959 0.3537
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0175 1 0.5
Schistosoma mansoni lamin 0.0033 0.0959 0.0866
Loa Loa (eye worm) hypothetical protein 0.0033 0.0959 0.3537
Echinococcus granulosus intermediate filament protein 0.0033 0.0959 0.0866
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.0175 1 0.5
Echinococcus multilocularis musashi 0.0033 0.0959 0.0866
Onchocerca volvulus 0.0033 0.0959 0.5
Giardia lamblia Rrm3p helicase 0.0175 1 0.5
Schistosoma mansoni lamin 0.0033 0.0959 0.0866
Loa Loa (eye worm) hypothetical protein 0.006 0.2712 1
Entamoeba histolytica DNA repair and recombination protein, putative 0.0175 1 0.5
Echinococcus granulosus lamin dm0 0.0033 0.0959 0.0866
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.2712 1
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0959 0.3537
Echinococcus multilocularis lamin dm0 0.0033 0.0959 0.0866
Loa Loa (eye worm) hypothetical protein 0.0032 0.0921 0.3397
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1504 0.5545
Schistosoma mansoni hypothetical protein 0.0175 1 1
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0175 1 0.5
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0175 1 0.5
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0102 0.0375
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.0175 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0.1504 0.5545
Echinococcus granulosus lamin 0.0033 0.0959 0.0866
Entamoeba histolytica hypothetical protein, conserved 0.0175 1 0.5
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.0175 1 1
Echinococcus multilocularis lamin 0.0033 0.0959 0.0866
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0175 1 0.5
Onchocerca volvulus 0.0033 0.0959 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.2712 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.5623 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 8.2753 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.929 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens ChEMBL23

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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