Detailed information for compound 1313900

Basic information

Technical information
  • TDR Targets ID: 1313900
  • Name: 4-[4-(trifluoromethoxy)phenyl]-1,3,4,7-tetrah ydrofuro[3,4-e]pyrimidine-2,5-dione
  • MW: 314.217 | Formula: C13H9F3N2O4
  • H donors: 2 H acceptors: 2 LogP: 1.4 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1NC2=C(C(N1)c1ccc(cc1)OC(F)(F)F)C(=O)OC2
  • InChi: 1S/C13H9F3N2O4/c14-13(15,16)22-7-3-1-6(2-4-7)10-9-8(5-21-11(9)19)17-12(20)18-10/h1-4,10H,5H2,(H2,17,18,20)
  • InChiKey: LCLDUCOWPFZKPL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[4-(trifluoromethoxy)phenyl]-1,3,4,7-tetrahydrofuro[3,4-e]pyrimidine-2,5-quinone
  • MLS000718481
  • SMR000290749
  • 4-(4-Trifluoromethoxy-phenyl)-4,7-dihydro-1H,3H-furo[3,4-d]pyrimidine-2,5-dione
  • ASN 08821942

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni smdr1 0.0051 0.1594 0.1849
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0155 0.8619 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0155 0.8619 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0155 0.8619 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0051 0.1594 0.0167
Loa Loa (eye worm) hypothetical protein 0.0155 0.8619 0.8619
Giardia lamblia Multidrug resistance-associated protein 1 0.0062 0.2362 1
Entamoeba histolytica ABC transporter, putative 0.0062 0.2362 0.1242
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0083 0.3758 0.436
Trichomonas vaginalis abcb9, putative 0.0155 0.8619 1
Brugia malayi ABC transporter transmembrane region family protein 0.0062 0.2362 0.274
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0051 0.1594 0.5
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0155 0.8619 1
Brugia malayi ABC transporter family protein 0.0051 0.1594 0.1849
Loa Loa (eye worm) multidrug resistance protein 3 0.0155 0.8619 0.8619
Trichomonas vaginalis ABC transporter, putative 0.0155 0.8619 1
Toxoplasma gondii ATP-binding cassette transporter ABC.B1 0.0155 0.8619 0.8357
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0155 0.8619 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0106 0.5308 0.5366
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0155 0.8619 1
Echinococcus granulosus multidrug resistance protein 1 0.0155 0.8619 1
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0155 0.8619 1
Trichomonas vaginalis ABC transporter, putative 0.0155 0.8619 1
Leishmania major p-glycoprotein 0.0155 0.8619 1
Brugia malayi hypothetical protein 0.0051 0.1594 0.1849
Loa Loa (eye worm) hypothetical protein 0.0155 0.8619 0.8619
Loa Loa (eye worm) hypothetical protein 0.0071 0.2988 0.2988
Brugia malayi P-glycoprotein-like protein 0.0051 0.1594 0.1849
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0155 0.8619 1
Entamoeba histolytica P-glycoprotein 6, putative 0.0051 0.1594 0.0167
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.0155 0.8619 0.8619
Echinococcus multilocularis ATP binding cassette sub family B 0.0051 0.1594 0.1849
Leishmania major ATP-binding cassette protein subfamily C, member 2, putative 0.0062 0.2362 0.1093
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0155 0.8619 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.1594 0.1594
Echinococcus granulosus ATP binding cassette sub family B 0.0049 0.1474 0.171
Schistosoma mansoni multidrug resistance protein 0.0155 0.8619 1
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0062 0.2362 1
Schistosoma mansoni voltage-gated potassium channel 0.0089 0.4145 0.4809
Echinococcus granulosus multidrug resistance associated protein 7 0.0062 0.2362 0.274
Schistosoma mansoni multidrug resistance protein 0.0062 0.2362 0.274
Echinococcus multilocularis ATP binding cassette sub family B 0.0051 0.1594 0.1849
Entamoeba histolytica P-glycoprotein 6, putative 0.0051 0.1594 0.0167
Schistosoma mansoni multidrug resistance protein 0.0062 0.2362 0.274
Echinococcus granulosus multidrug resistance protein 1 0.0106 0.5308 0.6158
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0062 0.2362 1
Brugia malayi ABC transporter family protein 0.0051 0.1594 0.1849
Plasmodium vivax multidrug resistance protein 1, putative 0.0155 0.8619 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.1474 0.1474
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0082 0.367 0.4258
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0155 0.8619 1
Entamoeba histolytica hypothetical protein 0.0062 0.2362 0.1242
Echinococcus multilocularis ATP binding cassette sub family B 0.0051 0.1594 0.1849
Schistosoma mansoni voltage-gated potassium channel 0.0089 0.4145 0.4809
Loa Loa (eye worm) hypothetical protein 0.0062 0.2362 0.2362
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0155 0.8619 1
Schistosoma mansoni multidrug resistance protein 0.0051 0.1594 0.1849
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0082 0.367 0.4258
Schistosoma mansoni multidrug resistance protein 0.0062 0.2362 0.274
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0155 0.8619 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0155 0.8619 1
Echinococcus granulosus multidrug resistance protein 1 0.0106 0.5308 0.6158
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0082 0.367 0.367
Trypanosoma cruzi multidrug resistance protein E, putative 0.0062 0.2362 1
Brugia malayi ABC transporter family protein 0.0155 0.8619 1
Mycobacterium tuberculosis Probable transmembrane multidrug efflux pump 0.0155 0.8619 1
Schistosoma mansoni multidrug resistance protein 0.0062 0.2362 0.274
Trichomonas vaginalis abcb9, putative 0.0155 0.8619 1
Trichomonas vaginalis abcb9, putative 0.0155 0.8619 1
Brugia malayi multidrug resistance protein 3 0.0155 0.8619 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0155 0.8619 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0155 0.8619 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0071 0.299 0.2122
Echinococcus granulosus multidrug resistance protein 1 0.0155 0.8619 1
Echinococcus multilocularis multidrug resistance associated protein 1 0.0062 0.2362 0.274
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0155 0.8619 1
Schistosoma mansoni ATP-binding cassette sub-family B member 7 mitochondrial precursor (abc7) 0.0051 0.1594 0.1849
Echinococcus granulosus ATP binding cassette sub family B 0.0051 0.1594 0.1849
Echinococcus granulosus multidrug resistance associated protein 1 0.0062 0.2362 0.274
Onchocerca volvulus 0.0155 0.8619 0.5
Echinococcus multilocularis 0.0051 0.1594 0.1849
Loa Loa (eye worm) ABC transporter 0.0051 0.1594 0.1594
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0155 0.8619 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0155 0.8619 1
Entamoeba histolytica P-glycoprotein-1 0.0155 0.8619 1
Entamoeba histolytica ATP-binding cassette protein, putative 0.0062 0.2362 0.1242
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0155 0.8619 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0155 0.8619 1
Entamoeba histolytica P-glycoprotein 5, putative 0.0155 0.8619 1
Leishmania major p-glycoprotein e 0.0062 0.2362 0.1093
Leishmania major calcium channel protein, putative,ion transporter, putative 0.0083 0.3758 0.3081
Echinococcus multilocularis multidrug resistance protein 1 0.0155 0.8619 1
Entamoeba histolytica ATP-binding cassette protein, putative 0.0062 0.2362 0.1242
Echinococcus granulosus sodium channel protein 0.0083 0.3758 0.436
Schistosoma mansoni smdr2 0.0155 0.8619 1
Echinococcus multilocularis sodium channel protein 0.0083 0.3758 0.436
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0155 0.8619 1
Leishmania major ATP-binding cassette protein subfamily C, member 6, putative 0.0062 0.2362 0.1093
Entamoeba histolytica ATP-binding cassette protein, putative 0.0062 0.2362 0.1242
Wolbachia endosymbiont of Brugia malayi ABC-type protease secretion system, ATPase and permease component, AprD 0.0051 0.1594 0.5
Entamoeba histolytica ATP-binding cassette protein, putative 0.0062 0.2362 0.1242
Entamoeba histolytica P-glycoprotein-2 0.0155 0.8619 1
Brugia malayi ABC transporter transmembrane region family protein 0.0051 0.1594 0.1849
Schistosoma mansoni multidrug resistance protein 0.0049 0.1474 0.171
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0155 0.8619 1
Echinococcus multilocularis multidrug resistance protein 1 0.0155 0.8619 1
Leishmania major ATP-binding cassette protein subfamily C, member 1, putative 0.0062 0.2362 0.1093
Loa Loa (eye worm) hypothetical protein 0.0062 0.2362 0.2362
Brugia malayi ABC transporter transmembrane region family protein 0.0049 0.1474 0.171
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0155 0.8619 1
Brugia malayi ABC transporter family protein 0.0051 0.1594 0.1849
Loa Loa (eye worm) hypothetical protein 0.006 0.2242 0.2242
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0155 0.8619 1
Chlamydia trachomatis ABC transporter ATP binding protein/permease 0.0155 0.8619 0.5
Entamoeba histolytica P-glycoprotein-2, putative 0.0155 0.8619 1
Echinococcus granulosus ATP binding cassette sub family B 0.0051 0.1594 0.1849
Entamoeba histolytica P-glyco protein 6, putative 0.0155 0.8619 1
Echinococcus multilocularis multidrug resistance protein 1 0.0106 0.5308 0.6158
Leishmania major ABC-thiol transporter 0.0062 0.2362 0.1093
Brugia malayi ABC transporter 0.0051 0.1594 0.1849
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0155 0.8619 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0155 0.8619 1
Mycobacterium leprae PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER 0.0051 0.1594 0.5
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0155 0.8619 1
Echinococcus multilocularis ATP binding cassette sub family B 0.0051 0.1594 0.1849
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0082 0.367 0.4258
Loa Loa (eye worm) hypothetical protein 0.0153 0.85 0.85
Echinococcus granulosus multidrug resistance protein 1 0.0155 0.8619 1
Leishmania major ATP-binding cassette protein subfamily B, member 2, putative 0.0155 0.8619 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0155 0.8619 1
Leishmania major pentamidine resistance protein 1 0.0062 0.2362 0.1093
Loa Loa (eye worm) ABC transporter transmembrane region family protein 0.0062 0.2362 0.2362
Echinococcus multilocularis multidrug resistance associated protein 7 0.0062 0.2362 0.274
Schistosoma mansoni ATP-binding cassette sub-family B member 6 mitochondrial precursor (abc6) 0.0049 0.1474 0.171
Loa Loa (eye worm) ABC transporter 0.0051 0.1594 0.1594
Mycobacterium leprae PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER 0.0051 0.1594 0.5
Trichomonas vaginalis ABC transporter, putative 0.0155 0.8619 1
Leishmania major ATP-binding cassette protein subfamily C, member 5, putative 0.0062 0.2362 0.1093
Giardia lamblia ABC transporter, putative 0.0062 0.2362 1
Entamoeba histolytica P-glycoprotein-2 0.0155 0.8619 1
Trichomonas vaginalis taga, putative 0.0155 0.8619 1
Brugia malayi multidrug Resistance Protein family member (mrp-5), putative 0.0051 0.1594 0.1849
Giardia lamblia Multidrug resistance-associated protein 1 0.006 0.2242 0.8652
Schistosoma mansoni multidrug resistance protein 0.0155 0.8619 1
Plasmodium falciparum multidrug resistance protein 1 0.0155 0.8619 1
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0062 0.2362 0.0913
Giardia lamblia MRP-like ABC transporter 0.0062 0.2362 1
Mycobacterium ulcerans component linked with the assembly of cytochrome transport transmembrane ATP-binding protein ABC transporter CydD 0.0051 0.1594 0.5
Mycobacterium ulcerans drugs-transport transmembrane ATP-binding protein ABC transporter 0.0051 0.1594 0.5
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0062 0.2362 1
Giardia lamblia Multidrug resistance-associated protein 1 0.0062 0.2362 1
Entamoeba histolytica multidrug resistance protein, putative 0.0062 0.2362 0.1242
Schistosoma mansoni multidrug resistance protein 0.0155 0.8619 1
Trichomonas vaginalis ABC transporter, putative 0.0155 0.8619 1
Entamoeba histolytica P-glycoprotein-5 0.0155 0.8619 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0071 0.299 0.2122
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.0153 0.85 0.9861
Trypanosoma brucei p-glycoprotein 0.0062 0.2362 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0155 0.8619 1
Trypanosoma brucei multidrug resistance protein E 0.0062 0.2362 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0155 0.8619 1
Brugia malayi multidrug resistance related protein 1 0.0062 0.2362 0.274
Loa Loa (eye worm) ABC transporter 0.0051 0.1594 0.1594
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0062 0.2362 1
Brugia malayi ABC transporter 0.0049 0.1474 0.171
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0051 0.1594 0.5
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0051 0.1594 0.5
Wolbachia endosymbiont of Brugia malayi ABC-type multidrug transport system, ATPase and permease component 0.0051 0.1594 0.5
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0155 0.8619 1
Echinococcus multilocularis ATP binding cassette sub family B 0.0153 0.85 0.9861
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0155 0.8619 0.8357

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 4.4668 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

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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