Detailed information for compound 2078400

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 450.88 | Formula: C20H26ClF3N2O4
  • H donors: 1 H acceptors: 3 LogP: 1.46 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C(F)(F)F.CCN(C1COC2(C1)CCN(CC2)C(=O)c1ccc(cc1)Cl)C
  • InChi: 1S/C18H25ClN2O2.C2HF3O2/c1-3-20(2)16-12-18(23-13-16)8-10-21(11-9-18)17(22)14-4-6-15(19)7-5-14;3-2(4,5)1(6)7/h4-7,16H,3,8-13H2,1-2H3;(H,6,7)
  • InChiKey: XACDUZHUUGATEV-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
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0064 0.0184 1
Trichomonas vaginalis hypothetical protein 0.0059 0.0138 0.7508
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0064 0.0184 1
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0064 0.0184 1
Loa Loa (eye worm) hypothetical protein 0.0064 0.0184 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.0178 0.8551
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0064 0.0184 1
Entamoeba histolytica P-glyco protein 6, putative 0.0064 0.0184 0.0047
Schistosoma mansoni smdr2 0.0064 0.0184 1
Echinococcus granulosus sphingomyelin synthase protein 1 0.0059 0.0138 0.7508
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0064 0.0184 1
Trichomonas vaginalis sphingomyelin synthetase, putative 0.0059 0.0138 0.7508
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0064 0.0184 1
Echinococcus granulosus multidrug resistance protein 1 0.0064 0.0184 1
Entamoeba histolytica P-glycoprotein-2 0.0064 0.0184 0.0047
Loa Loa (eye worm) hypothetical protein 0.0064 0.0184 1
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0064 0.0184 1
Entamoeba histolytica P-glycoprotein-2 0.0064 0.0184 0.0047
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0064 0.0184 1
Chlamydia trachomatis ABC transporter ATP binding protein/permease 0.0064 0.0184 0.5
Loa Loa (eye worm) multidrug resistance protein 3 0.0064 0.0184 1
Plasmodium falciparum multidrug resistance protein 1 0.0064 0.0184 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0064 0.0184 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0064 0.0184 1
Brugia malayi multidrug resistance protein 3 0.0064 0.0184 1
Trichomonas vaginalis sphingomyelin synthetase, putative 0.0059 0.0138 0.7508
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0064 0.0184 1
Entamoeba histolytica P-glycoprotein-5 0.0064 0.0184 0.0047
Trypanosoma cruzi sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional 0.0557 0.4924 0.5
Trichomonas vaginalis abcb9, putative 0.0064 0.0184 1
Echinococcus granulosus multidrug resistance protein 1 0.0064 0.0184 1
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.0064 0.0184 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0064 0.0184 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0064 0.0184 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0064 0.0184 1
Trichomonas vaginalis sphingomyelin synthetase, putative 0.0059 0.0138 0.7508
Trypanosoma cruzi sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional 0.0557 0.4924 0.5
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0064 0.0184 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0064 0.0184 1
Echinococcus granulosus multidrug resistance protein 1 0.0064 0.0184 1
Echinococcus multilocularis multidrug resistance protein 1 0.0064 0.0184 1
Schistosoma mansoni multidrug resistance protein 0.0064 0.0184 1
Mycobacterium tuberculosis Probable transmembrane multidrug efflux pump 0.0064 0.0184 0.5
Entamoeba histolytica P-glycoprotein-1 0.0064 0.0184 0.0047
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0064 0.0184 1
Echinococcus multilocularis multidrug resistance protein 1 0.0064 0.0184 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0064 0.0184 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0064 0.0184 1
Echinococcus multilocularis sphingomyelin synthase protein 1 0.0059 0.0138 0.7508
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.0063 0.0178 0.9639
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0064 0.0184 1
Toxoplasma gondii ATP-binding cassette transporter ABC.B1 0.0064 0.0184 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0064 0.0184 1
Echinococcus multilocularis ATP binding cassette sub family B 0.0063 0.0178 0.9639
Schistosoma mansoni multidrug resistance protein 0.0064 0.0184 1
Leishmania major phosphatidylcholine:ceramide cholinephosphotransferase 2 0.0557 0.4924 1
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0064 0.0184 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0064 0.0184 1
Entamoeba histolytica P-glycoprotein-2, putative 0.0064 0.0184 0.0047
Trichomonas vaginalis sphingomyelin synthetase, putative 0.0059 0.0138 0.7508
Trichomonas vaginalis abcb9, putative 0.0064 0.0184 1
Trichomonas vaginalis ABC transporter, putative 0.0064 0.0184 1
Trichomonas vaginalis abcb9, putative 0.0064 0.0184 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0064 0.0184 1
Trichomonas vaginalis ABC transporter, putative 0.0064 0.0184 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0064 0.0184 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0064 0.0184 1
Plasmodium vivax multidrug resistance protein 1, putative 0.0064 0.0184 1
Onchocerca volvulus 0.0064 0.0184 0.5
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0064 0.0184 1
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0064 0.0184 1
Brugia malayi ABC transporter family protein 0.0064 0.0184 1
Entamoeba histolytica P-glycoprotein 5, putative 0.0064 0.0184 0.0047
Trichomonas vaginalis conserved hypothetical protein 0.0059 0.0138 0.7508
Schistosoma mansoni multidrug resistance protein 0.0064 0.0184 1
Trypanosoma brucei sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional 0.0557 0.4924 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0064 0.0184 1
Trichomonas vaginalis taga, putative 0.0064 0.0184 1
Trichomonas vaginalis ABC transporter, putative 0.0064 0.0184 1
Trypanosoma brucei sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional 0.0557 0.4924 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0064 0.0184 1
Trichomonas vaginalis ABC transporter, putative 0.0064 0.0184 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0064 0.0184 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0064 0.0184 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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