Detailed information for compound 823728

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 376.452 | Formula: C22H24N4O2
  • H donors: 1 H acceptors: 2 LogP: 4.15 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCN(CC1)c1cc(NC(C)C)c2c3c1noc3c1c(C2=O)cccc1
  • InChi: 1S/C22H24N4O2/c1-13(2)23-16-12-17(26-10-8-25(3)9-11-26)20-19-18(16)21(27)14-6-4-5-7-15(14)22(19)28-24-20/h4-7,12-13,23H,8-11H2,1-3H3
  • InChiKey: BTGHEOVYQYDFDC-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
Onchocerca volvulus 0.0754 1 1
Giardia lamblia Potassium-transporting ATPase alpha chain 1 0.0388 0.4509 1
Trypanosoma brucei calcium motive p-type ATPase, putative 0.0147 0.091 1
Echinococcus multilocularis nervana 2 0.0754 1 1
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0147 0.091 1
Echinococcus multilocularis nervana 2 0.0754 1 1
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0754 1 1
Toxoplasma gondii P-type ATPase4, putative 0.0147 0.091 1
Plasmodium vivax calcium-transporting ATPase, putative 0.0147 0.091 0.5
Echinococcus multilocularis calcium transporting ATPase type 2C member 0.0147 0.091 0.022
Trypanosoma brucei vacuolar-type Ca2+-ATPase, putative 0.0134 0.0706 0.7455
Brugia malayi Calcium-transporting ATPase sarcoplasmic/endoplasmic reticulum type 0.0147 0.091 0.2018
Loa Loa (eye worm) Na,K-ATPase alpha subunit 0.0388 0.4509 0.445
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0332 0.3668 0.3187
Loa Loa (eye worm) hypothetical protein 0.0293 0.3087 0.3011
Schistosoma mansoni transmemberane protein 0.0754 1 1
Trypanosoma cruzi plasma membrane Ca2+ ATPase 0.0134 0.0706 0.7455
Loa Loa (eye worm) hypothetical protein 0.0332 0.3668 0.3599
Echinococcus granulosus Ca2 transporting ATPase plasma membrane 0.0147 0.091 0.022
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0754 1 1
Echinococcus granulosus plasma membrane calcium transporting ATPase 2 0.0147 0.091 0.022
Plasmodium falciparum calcium-transporting ATPase 0.0147 0.091 0.5
Echinococcus multilocularis calcium transporting atpase 0.0147 0.091 0.022
Echinococcus multilocularis sodium:potassium transporting ATPase subunit 0.0754 1 1
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0754 1 1
Entamoeba histolytica Plasma membrane calcium-transporting ATPase, putative 0.0134 0.0706 0.7755
Loa Loa (eye worm) hypothetical protein 0.0754 1 1
Schistosoma mansoni calcium-transporting atpase sarcoplasmic/endoplasmic reticulum type (calcium pump) 0.0147 0.091 0.022
Echinococcus multilocularis Tetracycline resistance leader peptide, TetL 0.0147 0.091 0.022
Loa Loa (eye worm) sodium/potassium-transporting ATPase subunit alpha 0.0334 0.3707 0.3639
Schistosoma mansoni sodium/potassium-dependent atpase beta subunit 0.0754 1 1
Schistosoma mansoni sodium/potassium-dependent atpase beta subunit 0.0754 1 1
Schistosoma mansoni calcium-transporting atpase 2 (atpase 2) 0.0147 0.091 0.022
Schistosoma mansoni plasma membrane calcium-transporting atpase 0.0147 0.091 0.022
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0147 0.091 1
Trypanosoma brucei calcium-translocating P-type ATPase 0.0147 0.091 1
Echinococcus multilocularis nervana 2 0.0754 1 1
Toxoplasma gondii plasma membrane-type Ca(2+)-ATPase A1 PMCAA1 0.0147 0.091 1
Entamoeba histolytica Plasma membrane calcium-transporting ATPase, putative 0.0134 0.0706 0.7755
Toxoplasma gondii sarco/endoplasmic reticulum Ca2+-ATPase 0.0147 0.091 1
Echinococcus granulosus nervana 2 0.0754 1 1
Entamoeba histolytica Plasma membrane calcium-transporting ATPase, putative 0.0134 0.0706 0.7755
Schistosoma mansoni sodium / potassium ATPase beta chain 0.0754 1 1
Trypanosoma brucei vacuolar-type Ca2+-ATPase 1 0.0134 0.0706 0.7455
Loa Loa (eye worm) hypothetical protein 0.026 0.2593 0.2512
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0754 1 1
Brugia malayi Sodium/potassium-transporting ATPase alpha chain, putative 0.0334 0.3707 0.822
Leishmania major calcium-transporting ATPase, putative 0.0147 0.091 1
Trypanosoma cruzi calcium motive p-type ATPase, putative 0.0147 0.091 1
Echinococcus granulosus calcium transporting ATPase type 2C member 0.0147 0.091 0.022
Schistosoma mansoni na+/k+ atpase alpha subunit 0.0388 0.4509 0.4093
Onchocerca volvulus 0.0754 1 1
Entamoeba histolytica calcium-transporting P-type ATPase, putative 0.0147 0.091 1
Loa Loa (eye worm) hypothetical protein 0.024 0.2303 0.2219
Brugia malayi Probable calcium-transporting ATPase KIAA0703 0.0094 0.0107 0.0238
Echinococcus multilocularis Ca2+ transporting ATPase plasma membrane 0.0147 0.091 0.022
Echinococcus multilocularis nervana 2 0.0754 1 1
Loa Loa (eye worm) hypothetical protein 0.0754 1 1
Schistosoma mansoni calcium-transporting atpase sarcoplasmic/endoplasmic reticulum type (calcium pump) 0.0147 0.091 0.022
Trypanosoma cruzi plasma membrane Ca2+ ATPase 0.0134 0.0706 0.7455
Plasmodium falciparum non-SERCA-type Ca2+ -transporting P-ATPase 0.0147 0.091 0.5
Loa Loa (eye worm) hypothetical protein 0.0388 0.4509 0.445
Echinococcus multilocularis Na+:K+ ATPase alpha subunit 0.0388 0.4509 0.4093
Leishmania major P-type ATPase, putative 0.0147 0.091 1
Schistosoma mansoni sodium/potassium-dependent atpase beta subunit 0.0754 1 1
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0332 0.3668 0.8135
Loa Loa (eye worm) hypothetical protein 0.0134 0.0706 0.0605
Mycobacterium leprae PROBABLE CATION-TRANSPORTER ATPASE I CTPI 0.0321 0.3503 0.5
Plasmodium vivax P-type ATPase4, putative 0.0147 0.091 0.5
Trypanosoma brucei vacuolar-type Ca2+-ATPase 2 0.0134 0.0706 0.7455
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0754 1 1
Echinococcus granulosus nervana 2 0.0754 1 1
Trypanosoma cruzi Calcium ATPase SERCA-like 0.0134 0.0706 0.7455
Brugia malayi Na,K-ATPase alpha subunit 0.0388 0.4509 1
Trypanosoma cruzi calcium motive p-type ATPase, putative 0.0147 0.091 1
Echinococcus granulosus nervana 2 0.0754 1 1
Mycobacterium ulcerans metal cation transporter p-type ATPase a 0.0374 0.4305 1
Echinococcus granulosus nervana 2 0.0754 1 1
Leishmania major calcium motive p-type ATPase, putative 0.0147 0.091 1
Brugia malayi Membrane calcium atpase protein 3 0.0147 0.091 0.2018
Echinococcus granulosus sodium:potassium transporting ATPase subunit 0.0754 1 1
Schistosoma mansoni Na+/K+ transporting ATPase subunit alpha 0.0388 0.4509 0.4093
Echinococcus multilocularis plasma membrane calcium transporting ATPase 0.0147 0.091 0.022
Echinococcus granulosus calcium transporting atpase 0.0147 0.091 0.022
Loa Loa (eye worm) hypothetical protein 0.0332 0.3668 0.3599
Echinococcus granulosus plasma membrane calcium transporting ATPase 0.0147 0.091 0.022
Loa Loa (eye worm) hypothetical protein 0.0301 0.3213 0.3139
Schistosoma mansoni plasma membrane calcium-transporting atpase 0.0147 0.091 0.022
Echinococcus granulosus Na:K ATPase alpha subunit 0.0388 0.4509 0.4093

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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