Detailed information for compound 1209992

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 308.131 | Formula: C12H10BrN3O2
  • H donors: 0 H acceptors: 3 LogP: 3.17 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1ccccc1/C=C/c1ncc(n1C)[N+](=O)[O-]
  • InChi: 1S/C12H10BrN3O2/c1-15-11(14-8-12(15)16(17)18)7-6-9-4-2-3-5-10(9)13/h2-8H,1H3/b7-6+
  • InChiKey: MVXIFILSCDGEOV-VOTSOKGWSA-N  

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0065 0.5
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0152 0.1467 0.1412
Toxoplasma gondii hypothetical protein 0.0152 0.1467 1
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0152 0.1467 0.1412
Loa Loa (eye worm) hypothetical protein 0.0152 0.1467 0.1412
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0152 0.1467 0.1412
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0152 0.1467 0.1412
Schistosoma mansoni hypothetical protein 0.0318 0.3373 0.333
Loa Loa (eye worm) norepinephrine transporter 0.0894 1 1
Echinococcus granulosus sodium and chloride dependent glycine 0.0152 0.1467 0.1412
Echinococcus multilocularis sodium and chloride dependent glycine 0.0152 0.1467 0.1412
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0152 0.1467 1
Loa Loa (eye worm) solute carrier family 6 member 4 0.0894 1 1
Echinococcus granulosus sodium and chloride dependent glycine 0.0152 0.1467 0.1412
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0152 0.1467 0.1412
Entamoeba histolytica hypothetical protein 0.0024 0 0.5
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0152 0.1467 0.1412
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0152 0.1467 1
Echinococcus multilocularis serotonin transporter 0.0894 1 1
Leishmania major importin beta-1 subunit, putative 0.0024 0 0.5
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0152 0.1467 0.1412
Loa Loa (eye worm) hypothetical protein 0.0152 0.1467 0.1412
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0894 1 1
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0152 0.1467 0.1412
Plasmodium falciparum amino acid transporter, putative 0.0152 0.1467 1
Loa Loa (eye worm) hypothetical protein 0.0152 0.1467 0.1412
Echinococcus granulosus snurportin 1 0.0318 0.3373 0.333
Loa Loa (eye worm) hypothetical protein 0.0152 0.1467 0.1412
Plasmodium falciparum transporter, putative 0.0152 0.1467 1
Schistosoma mansoni sodium/chloride dependent transporter 0.0894 1 1
Echinococcus granulosus serotonin transporter 0.0894 1 1
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0152 0.1467 0.1412
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0152 0.1467 0.1412
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0152 0.1467 0.1412
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0152 0.1467 0.1412
Plasmodium vivax amine transporter, putative 0.0152 0.1467 1
Schistosoma mansoni sodium/chloride dependent transporter 0.0152 0.1467 0.1412
Plasmodium vivax hypothetical protein, conserved 0.0152 0.1467 1
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0152 0.1467 0.1412
Trypanosoma cruzi importin beta-1 subunit, putative 0.0024 0 0.5
Trichomonas vaginalis importin beta-1, putative 0.0024 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0894 1 1
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0152 0.1467 0.1412
Onchocerca volvulus 0.0894 1 1
Loa Loa (eye worm) hypothetical protein 0.0152 0.1467 0.1412
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0152 0.1467 0.1412
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0 0.5
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0152 0.1467 0.1412
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0152 0.1467 0.1412
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0065 0.5
Brugia malayi RNA, U transporter 1 0.0085 0.0695 0.0635
Loa Loa (eye worm) hypothetical protein 0.0894 1 1
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0152 0.1467 0.1412
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0318 0.3373 0.333
Schistosoma mansoni sodium/chloride dependent transporter 0.0152 0.1467 0.1412
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0152 0.1467 0.1412
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0152 0.1467 0.1412
Loa Loa (eye worm) hypothetical protein 0.0894 1 1
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0152 0.1467 0.5
Echinococcus multilocularis snurportin 1 0.0318 0.3373 0.333
Loa Loa (eye worm) hypothetical protein 0.0152 0.1467 0.1412
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0 0.5
Loa Loa (eye worm) serotonin transporter b 0.0894 1 1
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0152 0.1467 1
Echinococcus multilocularis sodium and chloride dependent glycine 0.0152 0.1467 0.1412
Treponema pallidum sodium- and chloride- dependent transporter 0.0894 1 0.5
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0152 0.1467 0.1412
Brugia malayi hypothetical protein 0.0152 0.1467 0.1412
Toxoplasma gondii hypothetical protein 0.0152 0.1467 1
Schistosoma mansoni sodium-dependent amino acid transporter 0.0152 0.1467 0.1412
Loa Loa (eye worm) hypothetical protein 0.0152 0.1467 0.1412

Activities

Activity type Activity value Assay description Source Reference
IC50 (ADMET) = 4.14 Cytotoxicity against human HeLa cells after 2 days by Alamar blue assay ChEMBL. 19480409

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.

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