Detailed information for compound 283085

Basic information

Technical information
  • TDR Targets ID: 283085
  • Name: 2-[2-(4-carbamimidoylphenyl)ethyl]-1-benzofur an-5-carboximidamide
  • MW: 306.362 | Formula: C18H18N4O
  • H donors: 2 H acceptors: 0 LogP: 2.51 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=N)c1ccc(cc1)CCc1cc2c(o1)ccc(c2)C(=N)N
  • InChi: 1S/C18H18N4O/c19-17(20)12-4-1-11(2-5-12)3-7-15-10-14-9-13(18(21)22)6-8-16(14)23-15/h1-2,4-6,8-10H,3,7H2,(H3,19,20)(H3,21,22)
  • InChiKey: FOLVBIKBVBOFHH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[2-(4-carbamimidoylphenyl)ethyl]benzofuran-5-carboxamidine
  • 2-[2-(4-carbamimidoylphenyl)ethyl]-5-benzofurancarboxamidine
  • 2-[2-(4-amidinophenyl)ethyl]benzofuran-5-carboxamidine
  • 5-Benzofurancarboximidamide, 2-[2-[4-(aminoiminomethyl)phenyl]ethyl]-
  • AIDS-212648
  • AIDS212648

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
Schistosoma mansoni multidrug resistance protein 0.0028 0.0939 0.2943
Loa Loa (eye worm) hypothetical protein 0.0028 0.0924 0.0924
Schistosoma mansoni tar DNA-binding protein 0.0063 0.319 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0038 0.0038
Loa Loa (eye worm) cytochrome P450 family protein 0.0029 0.1021 0.1021
Loa Loa (eye worm) ABC transporter transmembrane region family protein 0.0028 0.0939 0.0939
Echinococcus granulosus lamin 0.0027 0.0845 0.265
Brugia malayi intermediate filament protein 0.0027 0.0845 0.265
Loa Loa (eye worm) TAR-binding protein 0.0063 0.319 0.319
Echinococcus multilocularis multidrug resistance associated protein 1 0.0028 0.0939 0.2943
Echinococcus multilocularis multidrug resistance associated protein 4 0.0022 0.0514 0.161
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0845 0.0845
Leishmania major ATP-binding cassette protein subfamily C, member 6, putative 0.0028 0.0939 0.5
Giardia lamblia Multidrug resistance-associated protein 1 0.0028 0.0939 1
Leishmania major ATP-binding cassette protein subfamily C, member 2, putative 0.0028 0.0939 0.5
Loa Loa (eye worm) hypothetical protein 0.0027 0.0845 0.0845
Echinococcus granulosus multidrug resistance associated protein 1 0.0028 0.0939 0.2943
Brugia malayi RNA binding protein 0.0063 0.319 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0939 0.0939
Echinococcus multilocularis multidrug resistance associated protein 7 0.0028 0.0939 0.2943
Loa Loa (eye worm) hypothetical protein 0.0026 0.0814 0.0814
Toxoplasma gondii hypothetical protein 0.0167 1 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.319 0.319
Entamoeba histolytica ABC transporter, putative 0.0028 0.0939 0.5
Loa Loa (eye worm) hypothetical protein 0.0167 1 1
Entamoeba histolytica ATP-binding cassette protein, putative 0.0028 0.0939 0.5
Schistosoma mansoni lamin 0.0027 0.0845 0.265
Schistosoma mansoni multidrug resistance protein 0.0028 0.0939 0.2943
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0028 0.0939 1
Echinococcus multilocularis tar DNA binding protein 0.0063 0.319 1
Brugia malayi ABC transporter transmembrane region family protein 0.0028 0.0939 0.2943
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0845 0.0845
Echinococcus granulosus multidrug resistance associated protein 4 0.0022 0.0514 0.161
Trypanosoma brucei p-glycoprotein 0.0028 0.0939 0.5
Brugia malayi cytoplasmic intermediate filament protein 0.0014 0.0038 0.012
Leishmania major pentamidine resistance protein 1 0.0028 0.0939 0.5
Loa Loa (eye worm) RNA binding protein 0.0063 0.319 0.319
Schistosoma mansoni lamin 0.0027 0.0845 0.265
Loa Loa (eye worm) multidrug resistance-associated protein 0.0022 0.0528 0.0528
Echinococcus granulosus multidrug resistance associated protein 7 0.0028 0.0939 0.2943
Schistosoma mansoni multidrug resistance protein 0.0028 0.0939 0.2943
Giardia lamblia MRP-like ABC transporter 0.0028 0.0939 1
Loa Loa (eye worm) inward rectifying k channel family protein 1 0.0167 1 1
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.319 1
Schistosoma mansoni multidrug resistance protein 0.0028 0.0939 0.2943
Echinococcus multilocularis musashi 0.0027 0.0845 0.265
Giardia lamblia Multidrug resistance-associated protein 1 0.0028 0.0939 1
Giardia lamblia ABC transporter, putative 0.0028 0.0939 1
Echinococcus multilocularis lamin dm0 0.0027 0.0845 0.265
Trypanosoma brucei multidrug resistance protein E 0.0028 0.0939 0.5
Schistosoma mansoni intermediate filament proteins 0.0027 0.0845 0.265
Leishmania major p-glycoprotein e 0.0028 0.0939 0.5
Schistosoma mansoni tar DNA-binding protein 0.0063 0.319 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0939 0.0939
Trypanosoma cruzi multidrug resistance protein E, putative 0.0028 0.0939 1
Echinococcus granulosus lamin dm0 0.0027 0.0845 0.265
Echinococcus granulosus tar DNA binding protein 0.0063 0.319 1
Leishmania major ATP-binding cassette protein subfamily C, member 5, putative 0.0028 0.0939 0.5
Brugia malayi TAR-binding protein 0.0063 0.319 1
Brugia malayi multidrug resistance related protein 1 0.0028 0.0939 0.2943
Leishmania major ABC-thiol transporter 0.0028 0.0939 0.5
Onchocerca volvulus 0.0027 0.0845 1
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0028 0.0939 1
Entamoeba histolytica hypothetical protein 0.0028 0.0939 0.5
Loa Loa (eye worm) hypothetical protein 0.0167 1 1
Entamoeba histolytica ATP-binding cassette protein, putative 0.0028 0.0939 0.5
Brugia malayi Cytochrome P450 family protein 0.0029 0.1021 0.3201
Schistosoma mansoni tar DNA-binding protein 0.0063 0.319 1
Leishmania major ATP-binding cassette protein subfamily C, member 1, putative 0.0028 0.0939 0.5
Schistosoma mansoni tar DNA-binding protein 0.0063 0.319 1
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0028 0.0939 0.5
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0845 0.265
Schistosoma mansoni tar DNA-binding protein 0.0063 0.319 1
Echinococcus granulosus intermediate filament protein 0.0027 0.0845 0.265
Onchocerca volvulus 0.0027 0.0845 1
Entamoeba histolytica multidrug resistance protein, putative 0.0028 0.0939 0.5
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0028 0.0939 0.5
Echinococcus multilocularis lamin 0.0027 0.0845 0.265
Entamoeba histolytica ATP-binding cassette protein, putative 0.0028 0.0939 0.5
Entamoeba histolytica ATP-binding cassette protein, putative 0.0028 0.0939 0.5

Activities

Activity type Activity value Assay description Source Reference
ID50 (binding) = 120 ug ml-1 Inhibitory dose against oncornaviral DNA polymerase activity of moloney murine leukemia virus ChEMBL. 6157024
ID50 (binding) = 120 ug ml-1 Inhibitory dose against oncornaviral DNA polymerase activity of moloney murine leukemia virus ChEMBL. 6157024

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

1 literature reference was collected for this gene.

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