Detailed information for compound 1388346

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 294.548 | Formula: C10H10BrClFNO
  • H donors: 1 H acceptors: 1 LogP: 3.29 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: FC(C(=O)NCCc1ccc(cc1)Br)Cl
  • InChi: 1S/C10H10BrClFNO/c11-8-3-1-7(2-4-8)5-6-14-10(15)9(12)13/h1-4,9H,5-6H2,(H,14,15)
  • InChiKey: DYYKYIDKFGCXEH-UHFFFAOYSA-N  


Substructure search Similarity search

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
Echinococcus multilocularis nervana 2 0.0062 1 1
Echinococcus multilocularis nervana 2 0.0062 1 1
Toxoplasma gondii plasma membrane-type Ca(2+)-ATPase A1 PMCAA1 0.0012 0.091 1
Brugia malayi Calcium-transporting ATPase sarcoplasmic/endoplasmic reticulum type 0.0012 0.091 0.2018
Leishmania major calcium-transporting ATPase, putative 0.0012 0.091 1
Echinococcus granulosus nervana 2 0.0062 1 1
Schistosoma mansoni na+/k+ atpase alpha subunit 0.0032 0.4509 0.4093
Echinococcus granulosus Ca2 transporting ATPase plasma membrane 0.0012 0.091 0.022
Echinococcus multilocularis Ca2+ transporting ATPase plasma membrane 0.0012 0.091 0.022
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0062 1 1
Echinococcus granulosus sodium:potassium transporting ATPase subunit 0.0062 1 1
Plasmodium falciparum calcium-transporting ATPase 0.0012 0.091 0.5
Entamoeba histolytica Plasma membrane calcium-transporting ATPase, putative 0.0011 0.0706 0.7755
Trypanosoma cruzi calcium motive p-type ATPase, putative 0.0012 0.091 1
Loa Loa (eye worm) hypothetical protein 0.002 0.2303 0.2219
Echinococcus multilocularis Na+:K+ ATPase alpha subunit 0.0032 0.4509 0.4093
Trypanosoma brucei vacuolar-type Ca2+-ATPase 2 0.0011 0.0706 0.7455
Plasmodium vivax calcium-transporting ATPase, putative 0.0012 0.091 0.5
Echinococcus granulosus nervana 2 0.0062 1 1
Brugia malayi Sodium/potassium-transporting ATPase alpha chain, putative 0.0027 0.3707 0.822
Schistosoma mansoni transmemberane protein 0.0062 1 1
Echinococcus multilocularis calcium transporting atpase 0.0012 0.091 0.022
Trypanosoma cruzi plasma membrane Ca2+ ATPase 0.0011 0.0706 0.7455
Schistosoma mansoni calcium-transporting atpase sarcoplasmic/endoplasmic reticulum type (calcium pump) 0.0012 0.091 0.022
Echinococcus granulosus nervana 2 0.0062 1 1
Trypanosoma brucei vacuolar-type Ca2+-ATPase, putative 0.0011 0.0706 0.7455
Trypanosoma brucei vacuolar-type Ca2+-ATPase 1 0.0011 0.0706 0.7455
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0062 1 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.3213 0.3139
Trypanosoma cruzi calcium motive p-type ATPase, putative 0.0012 0.091 1
Echinococcus multilocularis Tetracycline resistance leader peptide, TetL 0.0012 0.091 0.022
Echinococcus multilocularis plasma membrane calcium transporting ATPase 0.0012 0.091 0.022
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0062 1 1
Entamoeba histolytica Plasma membrane calcium-transporting ATPase, putative 0.0011 0.0706 0.7755
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0062 1 1
Schistosoma mansoni sodium/potassium-dependent atpase beta subunit 0.0062 1 1
Plasmodium falciparum non-SERCA-type Ca2+ -transporting P-ATPase 0.0012 0.091 0.5
Entamoeba histolytica Plasma membrane calcium-transporting ATPase, putative 0.0011 0.0706 0.7755
Brugia malayi Probable calcium-transporting ATPase KIAA0703 0.0008 0.0107 0.0238
Schistosoma mansoni sodium/potassium-dependent atpase beta subunit 0.0062 1 1
Onchocerca volvulus 0.0062 1 1
Loa Loa (eye worm) sodium/potassium-transporting ATPase subunit alpha 0.0027 0.3707 0.3639
Plasmodium vivax P-type ATPase4, putative 0.0012 0.091 0.5
Leishmania major calcium motive p-type ATPase, putative 0.0012 0.091 1
Echinococcus multilocularis sodium:potassium transporting ATPase subunit 0.0062 1 1
Trypanosoma brucei calcium-translocating P-type ATPase 0.0012 0.091 1
Toxoplasma gondii P-type ATPase4, putative 0.0012 0.091 1
Schistosoma mansoni sodium/potassium-dependent atpase beta subunit 0.0062 1 1
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0062 1 1
Echinococcus multilocularis calcium transporting ATPase type 2C member 0.0012 0.091 0.022
Schistosoma mansoni Na+/K+ transporting ATPase subunit alpha 0.0032 0.4509 0.4093
Echinococcus granulosus plasma membrane calcium transporting ATPase 0.0012 0.091 0.022
Schistosoma mansoni plasma membrane calcium-transporting atpase 0.0012 0.091 0.022
Schistosoma mansoni sodium / potassium ATPase beta chain 0.0062 1 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.4509 0.445
Trypanosoma cruzi Calcium ATPase SERCA-like 0.0011 0.0706 0.7455
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0012 0.091 1
Brugia malayi Membrane calcium atpase protein 3 0.0012 0.091 0.2018
Entamoeba histolytica calcium-transporting P-type ATPase, putative 0.0012 0.091 1
Echinococcus granulosus plasma membrane calcium transporting ATPase 2 0.0012 0.091 0.022
Giardia lamblia Potassium-transporting ATPase alpha chain 1 0.0032 0.4509 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.2593 0.2512
Echinococcus multilocularis nervana 2 0.0062 1 1
Schistosoma mansoni calcium-transporting atpase sarcoplasmic/endoplasmic reticulum type (calcium pump) 0.0012 0.091 0.022
Trypanosoma cruzi plasma membrane Ca2+ ATPase 0.0011 0.0706 0.7455
Echinococcus granulosus Na:K ATPase alpha subunit 0.0032 0.4509 0.4093
Echinococcus multilocularis nervana 2 0.0062 1 1
Loa Loa (eye worm) hypothetical protein 0.0062 1 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0706 0.0605
Brugia malayi Na,K-ATPase alpha subunit 0.0032 0.4509 1
Mycobacterium leprae PROBABLE CATION-TRANSPORTER ATPASE I CTPI 0.0026 0.3503 0.5
Schistosoma mansoni plasma membrane calcium-transporting atpase 0.0012 0.091 0.022
Toxoplasma gondii sarco/endoplasmic reticulum Ca2+-ATPase 0.0012 0.091 1
Trypanosoma brucei calcium motive p-type ATPase, putative 0.0012 0.091 1
Echinococcus granulosus calcium transporting ATPase type 2C member 0.0012 0.091 0.022
Loa Loa (eye worm) Na,K-ATPase alpha subunit 0.0032 0.4509 0.445
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0012 0.091 1
Schistosoma mansoni calcium-transporting atpase 2 (atpase 2) 0.0012 0.091 0.022
Onchocerca volvulus 0.0062 1 1
Loa Loa (eye worm) hypothetical protein 0.0062 1 1
Mycobacterium ulcerans metal cation transporter p-type ATPase a 0.0031 0.4305 1
Echinococcus granulosus calcium transporting atpase 0.0012 0.091 0.022
Leishmania major P-type ATPase, putative 0.0012 0.091 1
Echinococcus granulosus nervana 2 0.0062 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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