Detailed information for compound 1487517

Basic information

Technical information
  • TDR Targets ID: 1487517
  • Name: IDI1_013710
  • MW: 310.393 | Formula: C18H22N4O
  • H donors: 0 H acceptors: 3 LogP: 2.93 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCc1cnc(nc1)N1CCN(CC1)C(=O)c1ccccc1
  • InChi: 1S/C18H22N4O/c1-2-6-15-13-19-18(20-14-15)22-11-9-21(10-12-22)17(23)16-7-4-3-5-8-16/h3-5,7-8,13-14H,2,6,9-12H2,1H3
  • InChiKey: HHSPMCLIXCDFJQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ZINC00152573
  • Maybridge3_002323
  • Oprea1_723461

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TAR DNA binding protein 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) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
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
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Entamoeba histolytica transketolase, chloroplast, putative 0.0053 0.5509 0.5
Schistosoma mansoni transketolase 0.0053 0.5509 0.5509
Treponema pallidum 1-deoxy-D-xylulose-5-phosphate synthase 0.0053 0.5509 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Mycobacterium tuberculosis Probable branched-chain keto acid dehydrogenase E1 component, beta subunit BkdB 0.0053 0.5509 0.5
Loa Loa (eye worm) hypothetical protein 0.0076 0.9959 0.9959
Schistosoma mansoni pyruvate dehydrogenase (lipoamide) 0.0076 0.9959 0.9959
Echinococcus granulosus transketolase 0.0053 0.5509 0.5509
Brugia malayi RNA recognition motif domain containing protein 0.0076 1 1
Brugia malayi 2-oxoisovalerate dehydrogenase beta subunit, mitochondrial precursor 0.0053 0.5509 0.5509
Leishmania major transketolase 0.0053 0.5509 0.5531
Trypanosoma cruzi 2-oxoisovalerate dehydrogenase beta subunit, mitochondrial precursor, putative 0.0053 0.5509 0.5531
Trypanosoma brucei pyruvate dehydrogenase E1 beta subunit, putative 0.0076 0.9959 1
Trypanosoma brucei 2-oxoisovalerate dehydrogenase beta subunit, mitochondrial precursor, putative 0.0053 0.5509 0.5531
Plasmodium falciparum pyruvate dehydrogenase E1 component subunit beta 0.0076 0.9959 1
Brugia malayi TAR-binding protein 0.0076 1 1
Echinococcus multilocularis tar DNA binding protein 0.0076 1 1
Loa Loa (eye worm) hypothetical protein 0.0076 0.9959 0.9959
Trypanosoma cruzi pyruvate dehydrogenase E1 beta subunit, putative 0.0076 0.9959 1
Plasmodium falciparum 2-oxoisovalerate dehydrogenase subunit beta, mitochondrial, putative 0.0053 0.5509 0.5531
Loa Loa (eye worm) hypothetical protein 0.0053 0.5509 0.5509
Trypanosoma brucei transketolase, putative 0.0053 0.5509 0.5531
Toxoplasma gondii pyruvate dehydrogenase E1 component, beta subunit, putative 0.0053 0.5509 0.5531
Plasmodium vivax 1-deoxy-D-xylulose 5-phosphate synthase, putative 0.0053 0.5509 0.5531
Loa Loa (eye worm) TAR-binding protein 0.0076 1 1
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Toxoplasma gondii transketolase 0.0053 0.5509 0.5531
Plasmodium falciparum 1-deoxy-D-xylulose 5-phosphate synthase 0.0053 0.5509 0.5531
Echinococcus multilocularis pyruvate dehydrogenase 0.0076 0.9959 0.9959
Loa Loa (eye worm) 2-oxoisovalerate dehydrogenase subunit beta 0.0053 0.5509 0.5509
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Trypanosoma cruzi transketolase, putative 0.0053 0.5509 0.5531
Mycobacterium tuberculosis Probable 1-deoxy-D-xylulose 5-phosphate synthase Dxs1 (1-deoxyxylulose-5-phosphate synthase) (DXP synthase) (DXPS) 0.0053 0.5509 0.5
Brugia malayi transketolase 0.0053 0.5509 0.5509
Chlamydia trachomatis oxoisovalerate dehydrogenase subunits alpha/beta 0.006 0.6761 0.6789
Chlamydia trachomatis 1-deoxy-D-xylulose-5-phosphate synthase 0.0053 0.5509 0.5531
Mycobacterium tuberculosis Transketolase Tkt (TK) 0.0053 0.5509 0.5
Mycobacterium ulcerans 1-deoxy-D-xylulose-5-phosphate synthase 0.0053 0.5509 1
Plasmodium vivax pyruvate dehydrogenase E1 component subunit beta, putative 0.0076 0.9959 1
Echinococcus multilocularis transketolase 0.0053 0.5509 0.5509
Echinococcus granulosus tar DNA binding protein 0.0076 1 1
Brugia malayi pyruvate dehydrogenase E1 component beta subunit, putative 0.0076 0.9959 0.9959
Loa Loa (eye worm) RNA binding protein 0.0076 1 1
Trypanosoma cruzi pyruvate dehydrogenase E1 beta subunit, putative 0.0076 0.9959 1
Schistosoma mansoni transketolase 0.0053 0.5509 0.5509
Mycobacterium leprae Probable transketolase Tkt (TK) 0.0053 0.5509 1
Wolbachia endosymbiont of Brugia malayi transketolase 0.0053 0.5509 0.5531
Chlamydia trachomatis pyruvate dehydrogenase subunit beta 0.0076 0.9959 1
Onchocerca volvulus 0.0058 0.6415 0.5
Trypanosoma cruzi 2-oxoisovalerate dehydrogenase beta subunit, mitochondrial precursor, putative 0.0053 0.5509 0.5531
Echinococcus multilocularis transketolase 0.0053 0.5509 0.5509
Brugia malayi pyruvate dehydrogenase E1 component beta subunit, mitochondrial 0.0076 0.9959 0.9959
Toxoplasma gondii pyruvate dehydrogenase complex subunit PD-HE1Beta 0.0076 0.9959 1
Entamoeba histolytica transketolase, putative 0.0053 0.5509 0.5
Mycobacterium ulcerans pyruvate dehydrogenase E1 component subunit PdhB 0.0053 0.5509 1
Mycobacterium leprae PROBABLE 1-DEOXY-D-XYLULOSE 5-PHOSPHATE SYNTHASE DXS1 (1-DEOXYXYLULOSE-5-PHOSPHATE SYNTHASE) (DXP SYNTHASE) (DXPS) 0.0053 0.5509 1
Plasmodium vivax 2-oxoisovalerate dehydrogenase subunit beta, mitochondrial, putative 0.0053 0.5509 0.5531
Toxoplasma gondii 1-deoxy-D-xylulose-5-phosphate synthase 0.0053 0.5509 0.5531
Leishmania major pyruvate dehydrogenase E1 beta subunit, putative 0.0076 0.9959 1
Chlamydia trachomatis transketolase 0.0053 0.5509 0.5531
Echinococcus granulosus pyruvate dehydrogenase 0.0076 0.9959 0.9959
Wolbachia endosymbiont of Brugia malayi pyruvate dehydrogenase subunit beta 0.0076 0.9959 1
Trypanosoma cruzi transketolase, putative 0.0053 0.5509 0.5531
Trichomonas vaginalis transketolase, putative 0.0053 0.5509 0.5
Trypanosoma brucei 2-oxoisovalerate dehydrogenase beta subunit, mitochondrial precursor, putative 0.0053 0.5509 0.5531
Echinococcus granulosus transketolase 0.0053 0.5509 0.5509
Mycobacterium ulcerans transketolase 0.0053 0.5509 1
Entamoeba histolytica transketolase, putative 0.0053 0.5509 0.5
Trypanosoma brucei chrX additional, unordered contigs 0.0053 0.5509 0.5531
Leishmania major 2-oxoisovalerate dehydrogenase beta subunit, mitochondrial precursor, putative 0.0053 0.5509 0.5531
Entamoeba histolytica transketolase, putative 0.0053 0.5509 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.081 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: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference

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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