Detailed information for compound 1749464

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 524.204 | Formula: C24H16Br2N2O2
  • H donors: 2 H acceptors: 2 LogP: 6.94 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 2
  • SMILES: Brc1ccc(cc1)c1c([nH]c(c1C(=O)c1ccc(cc1)Br)N)C(=O)c1ccccc1
  • InChi: 1S/C24H16Br2N2O2/c25-17-10-6-14(7-11-17)19-20(22(29)16-8-12-18(26)13-9-16)24(27)28-21(19)23(30)15-4-2-1-3-5-15/h1-13,28H,27H2
  • InChiKey: LBVODLMBUWRBFM-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 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
Brugia malayi RNA recognition motif domain containing 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) 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
Echinococcus granulosus 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
Brugia malayi TAR-binding protein 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
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) RNA recognition domain-containing protein domain-containing 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
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA 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 family S9 non-peptidase homologue (S09 family) 0.1669 1 1
Loa Loa (eye worm) hypothetical protein 0.0282 0.1291 0.1291
Onchocerca volvulus 0.0282 0.1291 0.5
Echinococcus multilocularis BC026374 protein (S09 family) 0.0282 0.1291 0.1291
Loa Loa (eye worm) hypothetical protein 0.0282 0.1291 0.1291
Echinococcus granulosus acetylcholinesterase 0.1669 1 1
Onchocerca volvulus 0.0282 0.1291 0.5
Onchocerca volvulus 0.0282 0.1291 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0282 0.1291 0.1291
Trypanosoma cruzi trypanothione reductase, putative 0.0273 0.1233 1
Brugia malayi glutathione reductase 0.0273 0.1233 0.1233
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0282 0.1291 0.1291
Schistosoma mansoni BC026374 protein (S09 family) 0.0282 0.1291 0.1291
Loa Loa (eye worm) hypothetical protein 0.0282 0.1291 0.1291
Brugia malayi Carboxylesterase family protein 0.0282 0.1291 0.1291
Schistosoma mansoni memapsin-2 (A01 family) 0.0481 0.2537 0.2537
Loa Loa (eye worm) hypothetical protein 0.0282 0.1291 0.1291
Schistosoma mansoni gliotactin 0.0282 0.1291 0.1291
Trypanosoma brucei trypanothione reductase 0.0273 0.1233 1
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0095 0.0113 0.0113
Echinococcus multilocularis thioredoxin glutathione reductase 0.0273 0.1233 0.1233
Plasmodium vivax glutathione reductase, putative 0.0273 0.1233 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0095 0.0113 0.5
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0095 0.0113 0.0113
Loa Loa (eye worm) hypothetical protein 0.1669 1 1
Echinococcus multilocularis acetylcholinesterase 0.1669 1 1
Onchocerca volvulus 0.0282 0.1291 0.5
Onchocerca volvulus 0.0282 0.1291 0.5
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0273 0.1233 0.9508
Loa Loa (eye worm) carboxylesterase 0.0282 0.1291 0.1291
Treponema pallidum NADH oxidase 0.0095 0.0113 0.5
Echinococcus multilocularis acetylcholinesterase 0.1669 1 1
Echinococcus multilocularis neuroligin 0.0282 0.1291 0.1291
Echinococcus granulosus acetylcholinesterase 0.1669 1 1
Echinococcus granulosus BC026374 protein S09 family 0.0282 0.1291 0.1291
Loa Loa (eye worm) acetylcholinesterase 1 0.1669 1 1
Brugia malayi Thioredoxin reductase 0.0273 0.1233 0.1233
Loa Loa (eye worm) hypothetical protein 0.1669 1 1
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0282 0.1291 0.1291
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0095 0.0113 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0282 0.1291 0.1291
Plasmodium falciparum thioredoxin reductase 0.0273 0.1233 1
Brugia malayi hypothetical protein 0.0282 0.1291 0.1291
Loa Loa (eye worm) glutathione reductase 0.0273 0.1233 0.1233
Echinococcus granulosus para nitrobenzyl esterase 0.0282 0.1291 0.1291
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0282 0.1291 1
Loa Loa (eye worm) hypothetical protein 0.0282 0.1291 0.1291
Mycobacterium ulcerans carboxylesterase, LipT 0.0282 0.1291 1
Schistosoma mansoni neuroligin 3 (S09 family) 0.0282 0.1291 0.1291
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0095 0.0113 0.5
Trichomonas vaginalis spcc417.12 protein, putative 0.0282 0.1291 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0273 0.1233 0.1233
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0282 0.1291 0.1291
Schistosoma mansoni acetylcholinesterase 0.0282 0.1291 0.1291
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0095 0.0113 0.5
Loa Loa (eye worm) carboxylesterase 0.0282 0.1291 0.1291
Echinococcus granulosus carboxylesterase 5A 0.1669 1 1
Loa Loa (eye worm) hypothetical protein 0.0282 0.1291 0.1291
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0282 0.1291 1
Plasmodium falciparum glutathione reductase 0.0273 0.1233 1
Echinococcus granulosus neuroligin 0.0282 0.1291 0.1291
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0095 0.0113 0.0113
Loa Loa (eye worm) thioredoxin reductase 0.0273 0.1233 0.1233
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0095 0.0113 0.0113
Brugia malayi Carboxylesterase family protein 0.0282 0.1291 0.1291
Brugia malayi Carboxylesterase family protein 0.0282 0.1291 0.1291
Toxoplasma gondii thioredoxin reductase 0.0273 0.1233 1
Mycobacterium tuberculosis Carboxylesterase LipT 0.0282 0.1291 1
Loa Loa (eye worm) carboxylesterase 0.1669 1 1
Brugia malayi Carboxylesterase family protein 0.1669 1 1
Brugia malayi Carboxylesterase family protein 0.0282 0.1291 0.1291
Loa Loa (eye worm) hypothetical protein 0.0282 0.1291 0.1291
Echinococcus multilocularis carboxylesterase 5A 0.1669 1 1
Echinococcus multilocularis para nitrobenzyl esterase 0.0282 0.1291 0.1291
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0282 0.1291 1
Plasmodium vivax thioredoxin reductase, putative 0.0273 0.1233 1
Leishmania major trypanothione reductase 0.0273 0.1233 1
Giardia lamblia NADH oxidase lateral transfer candidate 0.0095 0.0113 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) 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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