Detailed information for compound 1553148

Basic information

Technical information
  • TDR Targets ID: 1553148
  • Name: ZINC08190900
  • MW: 373.443 | Formula: C21H27NO5
  • H donors: 1 H acceptors: 3 LogP: 3.36 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(=O)c1ccc(cc1)OCC(=O)OCC(=O)NCCC1=CCCCC1
  • InChi: 1S/C21H27NO5/c1-2-19(23)17-8-10-18(11-9-17)26-15-21(25)27-14-20(24)22-13-12-16-6-4-3-5-7-16/h6,8-11H,2-5,7,12-15H2,1H3,(H,22,24)
  • InChiKey: IVNHBEIMGNOQEO-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
Treponema pallidum V-type ATP synthase subunit A 0.0103 0 0.5
Leishmania major ATP synthase, epsilon chain, putative 0.0181 0.2387 0.4589
Mycobacterium ulcerans F0F1 ATP synthase subunit alpha 0.0332 0.6996 1
Chlamydia trachomatis type III secretion system ATPase 0.0103 0 0.5
Mycobacterium tuberculosis Probable ATP synthase epsilon chain AtpC 0.0181 0.2387 0.1757
Loa Loa (eye worm) ATP synthase subunit delta 0.0181 0.2387 0.2387
Leishmania major ATP synthase F1 subunit gamma protein, putative 0.0149 0.1405 0.2701
Onchocerca volvulus ATP synthase subunit delta, mitochondrial homolog 0.0181 0.2387 0.1757
Schistosoma mansoni ATP synthase gamma subunit 0.0149 0.1405 0.1405
Onchocerca volvulus ATP synthase subunit alpha, mitochondrial homolog 0.0332 0.6996 1
Mycobacterium tuberculosis Probable ATP synthase alpha chain AtpA 0.0332 0.6996 1
Toxoplasma gondii ATP synthase F1 gamma subunit 0.0149 0.1405 0.1405
Trichomonas vaginalis ATP synthase, putative 0.0103 0 0.5
Mycobacterium leprae PROBABLE ATP SYNTHASE EPSILON CHAIN ATPC 0.0181 0.2387 0.1757
Mycobacterium leprae PROBABLE ATP SYNTHASE ALPHA CHAIN ATPA 0.0332 0.6996 1
Schistosoma mansoni ATP synthase gamma subunit 0.0149 0.1405 0.1405
Mycobacterium ulcerans F0F1 ATP synthase subunit gamma 0.0149 0.1405 0.2008
Chlamydia trachomatis V-type ATP synthase subunit A 0.0103 0 0.5
Trypanosoma cruzi Mitochondrial ATP synthase epsilon chain, putative 0.0146 0.1323 0.5544
Treponema pallidum V-type ATP synthase subunit B 0.0103 0 0.5
Plasmodium vivax hypothetical protein, conserved 0.0181 0.2387 0.2387
Treponema pallidum V-type ATP synthase subunit A 0.0103 0 0.5
Echinococcus multilocularis ATP synthase gamma subunit 0.0149 0.1405 0.1405
Mycobacterium ulcerans F0F1 ATP synthase subunit epsilon 0.0181 0.2387 0.3412
Wolbachia endosymbiont of Brugia malayi ATP synthase F0F1 subunit gamma 0.0149 0.1405 0.2008
Trypanosoma cruzi ATP synthase, epsilon chain, putative 0.0181 0.2387 1
Entamoeba histolytica V-type ATPase, A subunit, putative 0.0103 0 0.5
Chlamydia trachomatis V-type ATP synthase subunit B 0.0103 0 0.5
Leishmania major hypothetical protein, conserved 0.0146 0.1323 0.2544
Brugia malayi ATP synthase alpha chain, mitochondrial precursor, putative 0.0332 0.6996 0.6996
Entamoeba histolytica V-type ATPase, B subunit, putative 0.0103 0 0.5
Leishmania major ATPase alpha subunit 0.0274 0.5201 1
Echinococcus granulosus 5'partial|ATP synthase subunit delta mitochondrial 0.0181 0.2387 0.2387
Plasmodium vivax ATP synthase epsilon chain, mitochondrial , putative 0.0431 1 1
Schistosoma mansoni ATP synthase delta chain mitochondrial 0.0181 0.2387 0.2387
Echinococcus granulosus ATP synthase subunit alpha mitochondrial 0.0332 0.6996 0.6996
Toxoplasma gondii atp synthase F1, epsilon subunit, putative 0.0431 1 1
Loa Loa (eye worm) hypothetical protein 0.0149 0.1405 0.1405
Mycobacterium tuberculosis Probable ATP synthase beta chain AtpD 0.0332 0.6996 1
Echinococcus multilocularis ATP synthase subunit delta, mitochondrial 0.0181 0.2387 0.2387
Trypanosoma brucei mitochondrial ATP synthase delta chain 0.0181 0.2387 0.4589
Trypanosoma brucei mitochondrial ATP synthase epsilon chain 0.0146 0.1323 0.2544
Trypanosoma cruzi Mitochondrial ATP synthase epsilon chain, putative 0.0146 0.1323 0.5544
Echinococcus granulosus ATP synthase gamma subunit 0.0149 0.1405 0.1405
Brugia malayi ATP synthase gamma chain, mitochondrial precursor, putative 0.0149 0.1405 0.1405
Schistosoma mansoni ATP synthase alpha subunit mitochondrial 0.0332 0.6996 0.6996
Echinococcus multilocularis ATP synthase subunit alpha, mitochondrial 0.0332 0.6996 0.6996
Treponema pallidum V-type ATP synthase subunit B 0.0103 0 0.5
Leishmania major ATPase alpha subunit 0.0274 0.5201 1
Plasmodium falciparum ATP synthase subunit gamma, mitochondrial 0.0149 0.1405 0.1405
Plasmodium falciparum ATP synthase F1, alpha subunit 0.0332 0.6996 0.6996
Toxoplasma gondii ATP synthase, putative 0.0181 0.2387 0.2387
Plasmodium falciparum ATP synthase subunit delta, mitochondrial, putative 0.0181 0.2387 0.2387
Echinococcus multilocularis mitochondrial F1F0 ATP synthase subunit epsilon 0.0431 1 1
Trypanosoma brucei ATP synthase F1 subunit gamma protein, putative 0.0149 0.1405 0.2701
Trypanosoma brucei ATP synthase F1, alpha subunit 0.0274 0.5201 1
Schistosoma mansoni ATP synthase gamma subunit 0.0149 0.1405 0.1405
Wolbachia endosymbiont of Brugia malayi ATP synthase F0F1 subunit alpha 0.0332 0.6996 1
Schistosoma mansoni ATP synthase gamma subunit 0.0149 0.1405 0.1405
Treponema pallidum flagellum-specific ATP synthase (fliI) 0.0103 0 0.5
Trypanosoma cruzi ATP synthase F1 subunit gamma protein, putative 0.0149 0.1405 0.5885
Chlamydia trachomatis type III secretion system ATP synthase 0.0103 0 0.5
Trichomonas vaginalis ATP synthase alpha subunit mitochondrial, putative 0.0103 0 0.5
Plasmodium falciparum mitochondrial ATP synthase F1, epsilon subunit, putative 0.0431 1 1
Trichomonas vaginalis ATP synthase beta subunit, putative 0.0103 0 0.5
Plasmodium vivax ATP synthase subunit gamma, mitochondrial, putative 0.0149 0.1405 0.1405
Brugia malayi ATP synthase delta chain, mitochondrial precursor, putative 0.0181 0.2387 0.2387
Plasmodium vivax ATP synthase alpha chain, putative 0.0332 0.6996 0.6996
Mycobacterium leprae PROBABLE ATP SYNTHASE BETA CHAIN ATPD 0.0332 0.6996 1
Trypanosoma cruzi ATP synthase F1 subunit gamma protein, putative 0.0149 0.1405 0.5885
Schistosoma mansoni ATP synthase gamma subunit 0.0149 0.1405 0.1405
Echinococcus granulosus mitochondrial F1F0 ATP synthase subunit epsilon 0.0431 1 1
Loa Loa (eye worm) ATP synthase subunit epsilon 0.0431 1 1
Trypanosoma brucei ATP synthase F1, alpha subunit 0.0274 0.5201 1
Schistosoma mansoni hypothetical protein 0.0431 1 1
Wolbachia endosymbiont of Brugia malayi ATP synthase F0F1 subunit epsilon 0.0181 0.2387 0.3412
Giardia lamblia Vacuolar ATP synthase catalytic subunit A 0.0103 0 0.5
Giardia lamblia Vacuolar ATP synthase subunit B 0.0103 0 0.5

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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