Detailed information for compound 1177659

Basic information

Technical information
  • TDR Targets ID: 1177659
  • Name: N-[2,2-dimethyl-3-[[2-(5-methylfuran-2-yl)qui noline-4-carbonyl]amino]propyl]-2-(5-methylfu ran-2-yl)quinoline-4-carboxamide
  • MW: 572.653 | Formula: C35H32N4O4
  • H donors: 2 H acceptors: 4 LogP: 6.22 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: Cc1ccc(o1)c1nc2ccccc2c(c1)C(=O)NCC(CNC(=O)c1cc(nc2c1cccc2)c1ccc(o1)C)(C)C
  • InChi: 1S/C35H32N4O4/c1-21-13-15-31(42-21)29-17-25(23-9-5-7-11-27(23)38-29)33(40)36-19-35(3,4)20-37-34(41)26-18-30(32-16-14-22(2)43-32)39-28-12-8-6-10-24(26)28/h5-18H,19-20H2,1-4H3,(H,36,40)(H,37,41)
  • InChiKey: USSHMRKMJDEIFC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2,2-dimethyl-3-[[2-(5-methyl-2-furyl)quinoline-4-carbonyl]amino]propyl]-2-(5-methyl-2-furyl)quinoline-4-carboxamide
  • N-[2,2-dimethyl-3-[[[2-(5-methyl-2-furyl)-4-quinolyl]-oxomethyl]amino]propyl]-2-(5-methyl-2-furyl)-4-quinolinecarboxamide
  • N-[2,2-dimethyl-3-[[2-(5-methyl-2-furyl)quinoline-4-carbonyl]amino]propyl]-2-(5-methyl-2-furyl)cinchoninamide
  • N-[2,2-dimethyl-3-[[2-(5-methylfuran-2-yl)quinolin-4-yl]carbonylamino]propyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
  • IVK/8123942
  • AK-968/12386169
  • ZINC02744941

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 multilocularis ATP dependent DNA helicase Q1 0.0021 0.0148 0.0015
Leishmania major hypothetical protein, conserved 0.0062 0.0705 1
Entamoeba histolytica recQ family helicase, putative 0.0021 0.0148 0.057
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0134 0.183
Schistosoma mansoni DNA helicase recq5 0.0021 0.0148 0.0148
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.0021 0.0148 1
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0021 0.0148 0.0015
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0201 0.2606 1
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0201 0.2606 1
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0062 0.0705 0.2309
Schistosoma mansoni ap endonuclease 0.002 0.0134 0.0134
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.0062 0.0705 1
Trypanosoma cruzi hypothetical protein, conserved 0.0062 0.0705 1
Schistosoma mansoni ap endonuclease 0.002 0.0134 0.0134
Schistosoma mansoni blooms syndrome DNA helicase 0.0011 0.0006 0.0006
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0021 0.0148 0.0549
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0134 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0006 0.0381
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0021 0.0148 0.0261
Loa Loa (eye worm) hypothetical protein 0.0021 0.0148 0.0549
Loa Loa (eye worm) hypothetical protein 0.0011 0.0006 0.00000000046184
Loa Loa (eye worm) RecQ helicase 0.0021 0.0148 0.0549
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0062 0.0705 0.2309
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0021 0.0148 0.0261
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0021 0.0148 1
Giardia lamblia Sgs1 DNA helicase, putative 0.0021 0.0148 0.006
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0021 0.0148 0.0015
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0201 0.2606 1
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0021 0.0148 0.2043
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0201 0.2606 1
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0201 0.2606 1
Trypanosoma cruzi hypothetical protein, conserved 0.0062 0.0705 1
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0201 0.2606 1
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0201 0.2606 1
Trichomonas vaginalis DNA helicase recq, putative 0.0021 0.0148 0.006
Toxoplasma gondii exonuclease III APE 0.002 0.0134 0.8998
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0.0134 0.0513
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0134 0.183
Brugia malayi Bloom's syndrome protein homolog 0.0021 0.0148 0.006
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0201 0.2606 1
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0201 0.2606 1
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0021 0.0148 1
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.0201 0.2606 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0134 0.5
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0021 0.0148 0.006
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0134 0.0492
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0201 0.2606 1
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0021 0.0148 0.0015
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0139 0.1759 1
Onchocerca volvulus 0.0201 0.2606 0.5
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0011 0.0006 0.0423
Entamoeba histolytica recQ family DNA helicase 0.0011 0.0006 0.0022
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0134 1
Trichomonas vaginalis DNA helicase recq1, putative 0.0021 0.0148 0.006
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0021 0.0148 1
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0201 0.2606 1
Trichomonas vaginalis DNA helicase recq, putative 0.0021 0.0148 0.006
Echinococcus granulosus bloom syndrome protein 0.0021 0.0148 0.0015
Schistosoma mansoni DNA helicase recq1 0.0021 0.0148 0.0148
Echinococcus multilocularis bloom syndrome protein 0.0021 0.0148 0.0015
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0021 0.0148 0.006

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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