Detailed information for compound 1641332

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 458.327 | Formula: C25H18BrN2O2+
  • H donors: 0 H acceptors: 1 LogP: 6.07 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1ccc(cc1)C(=O)C[n+]1ccn(c1)c1ccc(cc1)c1cc2c(o1)cccc2
  • InChi: 1S/C25H18BrN2O2/c26-21-9-5-18(6-10-21)23(29)16-27-13-14-28(17-27)22-11-7-19(8-12-22)25-15-20-3-1-2-4-24(20)30-25/h1-15,17H,16H2/q+1
  • InChiKey: IAMYSUXCJFXEJY-UHFFFAOYSA-N  

Network

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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
Loa Loa (eye worm) hypothetical protein 0.2744 1 1
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.2744 1 1
Loa Loa (eye worm) LGC-31 protein 0.2744 1 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.2744 1 1
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.2744 1 1
Echinococcus granulosus glycine receptor subunit beta 0.2744 1 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.2744 1 1
Echinococcus multilocularis nAChR subunit 0.1478 0.1438 0.1438
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.2744 1 1
Loa Loa (eye worm) hypothetical protein 0.2744 1 1
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.2744 1 1
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.1478 0.1438 0.1438
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.2744 1 1
Loa Loa (eye worm) hypothetical protein 0.2744 1 1
Onchocerca volvulus 0.2744 1 1
Onchocerca volvulus 0.2744 1 1
Brugia malayi kinase, mitochondrial precursor 0.2435 0.7911 0.7911
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.2744 1 1
Loa Loa (eye worm) hypothetical protein 0.1478 0.1438 0.1438
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.2744 1 1
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.2744 1 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.2744 1 1
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.2744 1 1
Trypanosoma cruzi developmentally regulated phosphoprotein, putative 0.2435 0.7911 0.5
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.2744 1 1
Schistosoma mansoni nAChR subunit 0.2744 1 1
Loa Loa (eye worm) hypothetical protein 0.1478 0.1438 0.1438
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.2744 1 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.2744 1 1
Schistosoma mansoni nAChR subunit 0.2744 1 1
Loa Loa (eye worm) hypothetical protein 0.2744 1 1
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.2744 1 1
Schistosoma mansoni neurotransmitter gated ion channel 0.1478 0.1438 0.1438
Echinococcus granulosus glycine receptor subunit alpha 1 0.2744 1 1
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.2744 1 1
Loa Loa (eye worm) hypothetical protein 0.2744 1 1
Loa Loa (eye worm) ACC-1 protein 0.2744 1 1
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.2744 1 1
Onchocerca volvulus 0.2744 1 1
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.2744 1 1
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.2744 1 1
Loa Loa (eye worm) hypothetical protein 0.2744 1 1
Loa Loa (eye worm) hypothetical protein 0.2744 1 1
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.2744 1 1
Schistosoma mansoni pyruvate dehydrogenase 0.2435 0.7911 0.7911
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.2744 1 1
Echinococcus multilocularis glycine receptor subunit alpha 1 0.2744 1 1
Loa Loa (eye worm) hypothetical protein 0.1478 0.1438 0.1438
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.1478 0.1438 0.1438
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.2744 1 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.2744 1 1
Loa Loa (eye worm) hypothetical protein 0.2744 1 1
Loa Loa (eye worm) hypothetical protein 0.2744 1 1
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.2744 1 1
Loa Loa (eye worm) GABA receptor subunit 0.1478 0.1438 0.1438
Loa Loa (eye worm) hypothetical protein 0.2744 1 1
Schistosoma mansoni nAChR subunit 0.2744 1 1
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.2744 1 1
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.2744 1 1
Echinococcus multilocularis glycine receptor subunit beta 0.2744 1 1
Brugia malayi Cation transporter family protein 0.2744 1 1
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.2744 1 1
Loa Loa (eye worm) hypothetical protein 0.1478 0.1438 0.1438
Echinococcus multilocularis glycine receptor subunit beta 0.2744 1 1
Loa Loa (eye worm) hypothetical protein 0.1478 0.1438 0.1438
Loa Loa (eye worm) hypothetical protein 0.2744 1 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.1478 0.1438 0.1438
Schistosoma mansoni nAChR subunit 0.2744 1 1
Echinococcus granulosus Pyruvate dehydrogenase lipoamide kinase 0.2435 0.7911 0.7911
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.1478 0.1438 0.1438
Loa Loa (eye worm) hypothetical protein 0.1478 0.1438 0.1438
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.2744 1 1
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.2435 0.7911 0.7911
Onchocerca volvulus 0.2744 1 1
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.2744 1 1
Echinococcus granulosus glycine receptor subunit alpha 1 0.2744 1 1
Loa Loa (eye worm) hypothetical protein 0.1478 0.1438 0.1438
Onchocerca volvulus 0.1478 0.1438 0.1438
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.2744 1 1
Echinococcus granulosus glycine receptor subunit alpha 1 0.2744 1 1
Echinococcus granulosus glycine receptor subunit beta 0.2744 1 1
Loa Loa (eye worm) hypothetical protein 0.1478 0.1438 0.1438
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.1478 0.1438 0.1438
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.2744 1 1
Loa Loa (eye worm) hypothetical protein 0.2744 1 1
Entamoeba histolytica hypothetical protein 0.1478 0.1438 0.5
Echinococcus multilocularis glycine receptor subunit alpha 1 0.2744 1 1
Schistosoma mansoni nAChR subunit 0.2744 1 1
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.2744 1 1
Schistosoma mansoni pyruvate dehydrogenase 0.23 0.6995 0.6995
Brugia malayi Cation transporter family protein 0.2744 1 1
Loa Loa (eye worm) ACC-1 protein 0.2744 1 1
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.2435 0.7911 0.7911
Loa Loa (eye worm) hypothetical protein 0.2744 1 1
Trypanosoma brucei developmentally regulated phosphoprotein 0.2435 0.7911 0.5
Loa Loa (eye worm) hypothetical protein 0.2744 1 1
Loa Loa (eye worm) hypothetical protein 0.2744 1 1
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.2744 1 1
Schistosoma mansoni nAChR subunit 0.2744 1 1
Schistosoma mansoni pyruvate dehydrogenase 0.23 0.6995 0.6995
Echinococcus granulosus nAChR subunit 0.1478 0.1438 0.1438
Leishmania major developmentally regulated phosphoprotein-like protein 0.2435 0.7911 0.5
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.2744 1 1
Loa Loa (eye worm) hypothetical protein 0.2744 1 1
Loa Loa (eye worm) hypothetical protein 0.2435 0.7911 0.7911
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.2744 1 1
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.2744 1 1
Echinococcus multilocularis nAChR subunit 0.2744 1 1
Echinococcus multilocularis glycine receptor subunit alpha 1 0.2744 1 1
Onchocerca volvulus Putative nachr subunit 0.2744 1 1
Onchocerca volvulus 0.1478 0.1438 0.1438
Loa Loa (eye worm) hypothetical protein 0.2744 1 1
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.2744 1 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.2744 1 1
Onchocerca volvulus 0.2744 1 1
Echinococcus granulosus nAChR subunit 0.2744 1 1
Schistosoma mansoni nAChR subunit 0.2744 1 1
Loa Loa (eye worm) hypothetical protein 0.2744 1 1
Loa Loa (eye worm) hypothetical protein 0.1478 0.1438 0.1438
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.1478 0.1438 0.1438
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.2744 1 1
Onchocerca volvulus 0.2744 1 1
Loa Loa (eye worm) hypothetical protein 0.2744 1 1
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.2744 1 1
Brugia malayi Cation transporter family protein 0.2744 1 1
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.2744 1 1
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.2744 1 1

Activities

No activities found for this compound.

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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