Detailed information for compound 821150

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 447.573 | Formula: C26H33N5O2
  • H donors: 1 H acceptors: 3 LogP: 3.66 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1[nH]c(c(c1)C)C(=O)N1CCC(CC1)C(N(C(=O)c1ccn(n1)C)C)Cc1ccccc1
  • InChi: 1S/C26H33N5O2/c1-18-16-19(2)27-24(18)26(33)31-14-10-21(11-15-31)23(17-20-8-6-5-7-9-20)30(4)25(32)22-12-13-29(3)28-22/h5-9,12-13,16,21,23,27H,10-11,14-15,17H2,1-4H3
  • InChiKey: UQMHEWSYGFXWTC-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
Schistosoma mansoni hypothetical protein 0.0435 0.5885 0.5885
Loa Loa (eye worm) DNA-directed DNA polymerase III 0.0077 0.0961 0.1809
Loa Loa (eye worm) hypothetical protein 0.0053 0.062 0.1149
Echinococcus granulosus DNA polymerase zeta catalytic subunit 0.0077 0.0961 0.0961
Schistosoma mansoni cpg binding protein 0.0032 0.034 0.034
Entamoeba histolytica DNA polymerase alpha catalytic subunit, putative 0.0079 0.0988 1
Schistosoma mansoni microtubule-associated protein tau 0.0735 1 1
Echinococcus multilocularis DNA polymerase alpha catalytic subunit 0.028 0.3753 0.3753
Mycobacterium ulcerans bacterioferritin BfrA 0.0009 0.002 0.5
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.0009 0.002 0.5
Toxoplasma gondii DNA polymerase family B protein 0.0077 0.0961 0.2229
Trichomonas vaginalis DNA polymerase zeta catalytic subunit, putative 0.0077 0.0961 0.6037
Mycobacterium tuberculosis Bacterioferritin BfrB 0.0009 0.002 0.5
Schistosoma mansoni ferritin light chain 0.0009 0.002 0.002
Trypanosoma cruzi DNA polymerase delta catalytic subunit, putative 0.0077 0.0961 0.489
Brugia malayi DNA polymerase family B, exonuclease domain containing protein 0.0077 0.0961 0.2811
Schistosoma mansoni ferritin 0.0009 0.002 0.002
Giardia lamblia DNA polymerase alpha subunit A 0.0237 0.3161 1
Schistosoma mansoni DNA polymerase epsilon catalytic subunit 0.0077 0.0961 0.0961
Echinococcus granulosus dnaJ subfamily B 0.0435 0.5885 0.5885
Echinococcus multilocularis DNA polymerase delta catalytic subunit 0.0077 0.0961 0.0961
Plasmodium falciparum DNA polymerase epsilon catalytic subunit A, putative 0.0043 0.0487 0.19
Schistosoma mansoni DNA polymerase alpha catalytic subunit 0.0105 0.134 0.134
Echinococcus granulosus DNA polymerase delta catalytic subunit 0.0077 0.0961 0.0961
Loa Loa (eye worm) CXXC zinc finger family protein 0.0031 0.0316 0.0562
Schistosoma mansoni ferritin light chain 0.0009 0.002 0.002
Onchocerca volvulus DNA polymerase homolog 0.0077 0.0961 0.1322
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0065 0.0788 0.0788
Echinococcus granulosus DNA polymerase alpha catalytic subunit 0.028 0.3753 0.3753
Brugia malayi CXXC zinc finger family protein 0.0031 0.0316 0.0876
Brugia malayi DNA polymerase alpha catalytic subunit 0.0227 0.3024 0.8998
Plasmodium falciparum DNA polymerase alpha catalytic subunit A 0.0079 0.0988 1
Echinococcus multilocularis expressed protein 0.0009 0.002 0.002
Loa Loa (eye worm) hypothetical protein 0.0385 0.5197 1
Echinococcus granulosus cpg binding protein 0.0032 0.034 0.034
Entamoeba histolytica DNA polymerase delta catalytic subunit, putative 0.0077 0.0961 0.9569
Schistosoma mansoni cellular tumor antigen P53 0.0053 0.062 0.062
Loa Loa (eye worm) hypothetical protein 0.0043 0.0487 0.0892
Echinococcus multilocularis ferritin 0.0009 0.002 0.002
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0051 0.0602 0.1733
Schistosoma mansoni DNA polymerase zeta catalytic subunit 0.0077 0.0961 0.0961
Onchocerca volvulus 0.0051 0.0602 0.0585
Echinococcus multilocularis dnaJ subfamily B 0.0435 0.5885 0.5885
Trypanosoma brucei DNA polymerase alpha catalytic subunit 0.0122 0.158 1
Leishmania major DNA polymerase I alpha catalytic subunit, putative 0.0122 0.158 1
Schistosoma mansoni DNA polymerase alpha catalytic subunit 0.028 0.3753 0.3753
Toxoplasma gondii DNA polymerase (pol2) superfamily protein 0.0227 0.3024 1
Schistosoma mansoni DNA polymerase delta catalytic subunit 0.0077 0.0961 0.0961
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0026 0.0026
Loa Loa (eye worm) DNA polymerase epsilon catalytic subunit 0.0034 0.037 0.0665
Brugia malayi DNA polymerase family B containing protein 0.0077 0.0961 0.2811
Loa Loa (eye worm) hypothetical protein 0.0252 0.3358 0.6444
Brugia malayi DNA polymerase delta catalytic subunit 0.0077 0.0961 0.2811
Echinococcus granulosus tumor protein p63 0.036 0.4843 0.4843
Plasmodium falciparum DNA polymerase delta catalytic subunit 0.0077 0.0961 0.9569
Schistosoma mansoni ferritin 0.0009 0.002 0.002
Loa Loa (eye worm) hypothetical protein 0.0034 0.037 0.0665
Trichomonas vaginalis DNA polymerase alpha catalytic subunit, putative 0.0122 0.158 1
Schistosoma mansoni apoferritin-2 0.0009 0.002 0.002
Onchocerca volvulus DNA polymerase delta catalytic subunit homolog 0.0077 0.0961 0.1322
Trypanosoma cruzi DNA polymerase I alpha catalytic subunit, putative 0.0122 0.158 1
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.0009 0.002 0.5
Onchocerca volvulus 0.0053 0.062 0.0622
Schistosoma mansoni ferritin 0.0009 0.002 0.002
Plasmodium vivax DNA polymerase alpha, putative 0.0227 0.3024 1
Mycobacterium ulcerans bacterioferritin BfrB 0.0009 0.002 0.5
Toxoplasma gondii histone lysine methyltransferase SET1 0.0058 0.0692 0.1215
Echinococcus granulosus survival motor neuron protein 1 0.0252 0.3358 0.3358
Echinococcus multilocularis tumor protein p63 0.036 0.4843 0.4843
Loa Loa (eye worm) hypothetical protein 0.0034 0.037 0.0665
Echinococcus multilocularis DNA polymerase zeta catalytic subunit 0.0077 0.0961 0.0961
Echinococcus granulosus expressed protein 0.0009 0.002 0.002
Trichomonas vaginalis DNA polymerase alpha catalytic subunit, putative 0.0043 0.0487 0.2997
Toxoplasma gondii DNA polymerase 0.0077 0.0961 0.2229
Schistosoma mansoni cpg binding protein 0.0032 0.034 0.034
Echinococcus multilocularis dna polymerase epsilon catalytic subunit a 0.0077 0.0961 0.0961
Schistosoma mansoni ferritin 0.0009 0.002 0.002
Treponema pallidum bacterioferrin (TpF1) 0.0009 0.002 0.5
Trichomonas vaginalis DNA polymerase II, putative 0.0122 0.158 1
Echinococcus multilocularis microtubule associated protein 2 0.0735 1 1
Schistosoma mansoni survival motor neuron protein 0.0051 0.0602 0.0602
Trypanosoma cruzi DNA polymerase epsilon catalytic subunit, putative 0.0077 0.0961 0.489
Onchocerca volvulus DNA polymerase alpha catalytic subunit homolog 0.0385 0.5197 1
Schistosoma mansoni apoferritin-2 0.0009 0.002 0.002
Echinococcus multilocularis cpg binding protein 0.0032 0.034 0.034
Loa Loa (eye worm) DNA polymerase epsilon catalytic subunit 0.0043 0.0487 0.0892
Echinococcus granulosus ferritin 0.0009 0.002 0.002
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0009 0.002 0.5
Leishmania major DNA polymerase delta catalytic subunit, putative 0.0077 0.0961 0.489
Leishmania major DNA polymerase epsilon catalytic subunit, putative 0.0077 0.0961 0.489
Schistosoma mansoni cpg binding protein 0.0031 0.0316 0.0316
Loa Loa (eye worm) hypothetical protein 0.0043 0.0487 0.0892
Echinococcus multilocularis survival motor neuron protein 1 0.0252 0.3358 0.3358
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.037 0.2244
Trichomonas vaginalis DNA polymerase alpha catalytic subunit, putative 0.0077 0.0961 0.6037
Onchocerca volvulus DNA polymerase epsilon catalytic subunit A homolog 0.0077 0.0961 0.1322
Brugia malayi hypothetical protein 0.0252 0.3358 1
Echinococcus granulosus dna polymerase epsilon catalytic subunit a 0.0077 0.0961 0.0961
Trichomonas vaginalis DNA polymerase delta catalytic subunit, putative 0.0077 0.0961 0.6037
Schistosoma mansoni hypothetical protein 0.0051 0.0602 0.0602
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0026 0.0026
Trypanosoma cruzi DNA polymerase epsilon catalytic subunit, putative 0.0077 0.0961 0.489

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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