Detailed information for compound 2078401

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 470.525 | Formula: C24H33F3N2O4
  • H donors: 2 H acceptors: 3 LogP: 1.91 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C(F)(F)F.CC(NC(=O)CC1CC2(CCN(CC2)CC2CC2)Oc2c1cccc2)C
  • InChi: 1S/C22H32N2O2.C2HF3O2/c1-16(2)23-21(25)13-18-14-22(26-20-6-4-3-5-19(18)20)9-11-24(12-10-22)15-17-7-8-17;3-2(4,5)1(6)7/h3-6,16-18H,7-15H2,1-2H3,(H,23,25);(H,6,7)
  • InChiKey: JFQXBALFFOAKEZ-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
Trypanosoma cruzi sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional 0.0557 0.4967 0.5
Loa Loa (eye worm) hypothetical protein 0.0059 0.0222 1
Echinococcus multilocularis ATP binding cassette sub family B 0.005 0.0141 0.6346
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0051 0.0146 0.6584
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0051 0.0146 0.6584
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0051 0.0146 0.6584
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0051 0.0146 0.6584
Toxoplasma gondii hypothetical protein 0.0059 0.0222 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0051 0.0146 0.6584
Trichomonas vaginalis sphingomyelin synthetase, putative 0.0059 0.0222 1
Trypanosoma brucei sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional 0.0557 0.4967 1
Trichomonas vaginalis conserved hypothetical protein 0.0059 0.0222 1
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0051 0.0146 0.6584
Trichomonas vaginalis sphingomyelin synthetase, putative 0.0059 0.0222 1
Echinococcus granulosus multidrug resistance protein 1 0.0051 0.0146 0.6584
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.0051 0.0146 0.0651
Trichomonas vaginalis ABC transporter, putative 0.0051 0.0146 0.6584
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0051 0.0146 0.6584
Entamoeba histolytica hypothetical protein 0.0059 0.0222 0.0077
Loa Loa (eye worm) hypothetical protein 0.0059 0.0222 1
Plasmodium vivax sphingomyelin synthase 2, putative 0.0059 0.0222 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0051 0.0146 0.6584
Plasmodium vivax sphingomyelin synthase 1, putative 0.0059 0.0222 1
Echinococcus granulosus multidrug resistance protein 1 0.0051 0.0146 0.6584
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0051 0.0146 0.6584
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0051 0.0146 0.6584
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0051 0.0146 0.6584
Plasmodium falciparum sphingomyelin synthase 1, putative 0.0059 0.0222 1
Echinococcus multilocularis sphingomyelin synthase protein 1 0.0059 0.0222 1
Brugia malayi Phosphatidylcholine:ceramide cholinephosphotransferase 1 0.0059 0.0222 1
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0051 0.0146 0.6584
Trichomonas vaginalis hypothetical protein 0.0059 0.0222 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0051 0.0146 0.6584
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0051 0.0146 0.6584
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0051 0.0146 0.6584
Chlamydia trachomatis ABC transporter ATP binding protein/permease 0.0051 0.0146 0.5
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0051 0.0146 0.6584
Schistosoma mansoni spingomyelin synthetase-related 0.0059 0.0222 1
Plasmodium falciparum sphingomyelin synthase 2, putative 0.0059 0.0222 1
Trichomonas vaginalis abcb9, putative 0.0051 0.0146 0.6584
Trichomonas vaginalis abcb9, putative 0.0051 0.0146 0.6584
Trichomonas vaginalis taga, putative 0.0051 0.0146 0.6584
Loa Loa (eye worm) hypothetical protein 0.0059 0.0222 1
Entamoeba histolytica hypothetical protein 0.0059 0.0222 0.0077
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0051 0.0146 0.6584
Loa Loa (eye worm) hypothetical protein 0.0059 0.0222 1
Mycobacterium tuberculosis Probable transmembrane multidrug efflux pump 0.0051 0.0146 0.5
Trichomonas vaginalis sphingomyelin synthetase, putative 0.0059 0.0222 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0051 0.0146 0.6584
Entamoeba histolytica hypothetical membrane-spanning protein 0.0059 0.0222 0.0077
Trypanosoma cruzi sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional 0.0557 0.4967 0.5
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0051 0.0146 0.6584
Leishmania major phosphatidylcholine:ceramide cholinephosphotransferase 2 0.0557 0.4967 1
Trichomonas vaginalis ABC transporter, putative 0.0051 0.0146 0.6584
Plasmodium falciparum sphingomyelin synthase 1, putative 0.0059 0.0222 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0051 0.0146 0.6584
Loa Loa (eye worm) hypothetical protein 0.0051 0.0146 0.0651
Loa Loa (eye worm) multidrug resistance protein 3 0.0051 0.0146 0.0651
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0051 0.0146 0.6584
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0051 0.0146 0.6584
Trichomonas vaginalis ABC transporter, putative 0.0051 0.0146 0.6584
Trichomonas vaginalis sphingomyelin synthetase, putative 0.0059 0.0222 1
Brugia malayi Phosphatidylcholine:ceramide cholinephosphotransferase 1 0.0059 0.0222 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0051 0.0146 0.6584
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0051 0.0146 0.6584
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0051 0.0146 0.6584
Brugia malayi Phosphatidylcholine:ceramide cholinephosphotransferase 2 0.0059 0.0222 1
Echinococcus granulosus sphingomyelin synthase protein 1 0.0059 0.0222 1
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.005 0.0141 0.6346
Onchocerca volvulus 0.0051 0.0146 0.5
Trichomonas vaginalis ABC transporter, putative 0.0051 0.0146 0.6584
Entamoeba histolytica hypothetical protein 0.0059 0.0222 0.0077
Echinococcus multilocularis multidrug resistance protein 1 0.0051 0.0146 0.6584
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0051 0.0146 0.6584
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0051 0.0146 0.6584
Echinococcus multilocularis multidrug resistance protein 1 0.0051 0.0146 0.6584
Trypanosoma brucei sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional 0.0557 0.4967 1
Loa Loa (eye worm) hypothetical protein 0.0059 0.0222 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0051 0.0146 0.6584
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0051 0.0146 0.6584
Brugia malayi Phosphatidylcholine:ceramide cholinephosphotransferase 2 0.0059 0.0222 1
Brugia malayi Sphingomyelin synthase-related 1 0.0059 0.0222 1
Trichomonas vaginalis abcb9, putative 0.0051 0.0146 0.6584
Loa Loa (eye worm) hypothetical protein 0.0059 0.0222 1
Entamoeba histolytica hypothetical protein 0.0059 0.0222 0.0077
Entamoeba histolytica hypothetical protein 0.0059 0.0222 0.0077
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0051 0.0146 0.6584
Brugia malayi Phosphatidylcholine:ceramide cholinephosphotransferase 3 0.0059 0.0222 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0051 0.0146 0.6584
Loa Loa (eye worm) hypothetical protein 0.0051 0.0146 0.0651
Echinococcus granulosus multidrug resistance protein 1 0.0051 0.0146 0.6584

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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