Detailed information for compound 1001020

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 605.642 | Formula: C28H23N5O7S2
  • H donors: 5 H acceptors: 8 LogP: 3.21 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: CC(=O)Nc1nc(c(s1)S(=O)(=O)Nc1ccc(cc1)C(=O)Nc1ccc2c(c1)N(O)C(=O)/C/2=C(/c1ccccc1)\O)C
  • InChi: 1S/C28H23N5O7S2/c1-15-27(41-28(29-15)30-16(2)34)42(39,40)32-19-10-8-18(9-11-19)25(36)31-20-12-13-21-22(14-20)33(38)26(37)23(21)24(35)17-6-4-3-5-7-17/h3-14,32,35,38H,1-2H3,(H,31,36)(H,29,30,34)/b24-23-
  • InChiKey: JYXNYOYSNYZAHK-VHXPQNKSSA-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
Toxoplasma gondii histone lysine methyltransferase SET1 0.0053 0.8535 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.2346 0.5
Echinococcus granulosus tar DNA binding protein 0.0061 1 1
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.3387 0.3969
Trypanosoma brucei unspecified product 0.0019 0.2346 0.3432
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.3387 0.4955
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.2346 0.2188
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.129 0.1887
Echinococcus granulosus dna polymerase kappa 0.0019 0.2346 0.2188
Brugia malayi RNA recognition motif domain containing protein 0.0061 1 1
Brugia malayi hypothetical protein 0.0042 0.6578 0.6578
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.2346 0.3432
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0042 0.6578 0.6508
Entamoeba histolytica hypothetical protein 0.0042 0.6578 1
Echinococcus multilocularis tar DNA binding protein 0.0061 1 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.6836 0.6836
Schistosoma mansoni tar DNA-binding protein 0.0061 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.2346 0.3432
Trypanosoma cruzi DNA polymerase eta, putative 0.0044 0.6836 1
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0031 0.449 0.5261
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.2346 0.2346
Trypanosoma brucei unspecified product 0.0013 0.129 0.1887
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.051 0.0315
Loa Loa (eye worm) hypothetical protein 0.0025 0.3387 0.3387
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.2346 0.3432
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.129 0.1887
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.051 0.0315
Schistosoma mansoni DNA polymerase eta 0.0044 0.6836 0.6836
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.2346 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.2346 0.2346
Leishmania major DNA polymerase kappa, putative 0.0019 0.2346 0.3432
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.2346 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.3387 1
Leishmania major hypothetical protein, conserved 0.0025 0.3387 0.4955
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0042 0.6578 0.6508
Schistosoma mansoni tar DNA-binding protein 0.0061 1 1
Echinococcus granulosus dna polymerase eta 0.0044 0.6836 0.6771
Echinococcus granulosus cpg binding protein 0.003 0.4295 0.4178
Brugia malayi CXXC zinc finger family protein 0.0028 0.4007 0.4007
Brugia malayi TAR-binding protein 0.0061 1 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0031 0.449 0.6568
Entamoeba histolytica hypothetical protein 0.0042 0.6578 1
Entamoeba histolytica hypothetical protein 0.0042 0.6578 1
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.2346 0.2346
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.2346 1
Schistosoma mansoni hypothetical protein 0.0011 0.0937 0.0937
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.2346 0.3432
Echinococcus multilocularis cpg binding protein 0.003 0.4295 0.4178
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.2346 0.3432
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.2346 0.3432
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.2346 0.3432
Schistosoma mansoni tar DNA-binding protein 0.0061 1 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0061 1 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.2346 0.5
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.4007 0.4007
Trypanosoma brucei DNA polymerase eta, putative 0.0044 0.6836 1
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.2346 0.3432
Brugia malayi ImpB/MucB/SamB family protein 0.0044 0.6836 0.6836
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.9682 0.9682
Leishmania major DNA polymerase eta, putative 0.0031 0.449 0.6568
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.129 0.1887
Loa Loa (eye worm) RNA binding protein 0.0061 1 1
Schistosoma mansoni tar DNA-binding protein 0.0061 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.3387 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.2346 0.3432
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.3387 0.4955
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.2346 0.3432
Brugia malayi hypothetical protein 0.0016 0.1813 0.1813
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.049 0.049
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.2346 0.3432
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.2346 0.3432
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.3387 1
Entamoeba histolytica hypothetical protein 0.0042 0.6578 1
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.2346 0.3432
Loa Loa (eye worm) histone methyltransferase 0.0009 0.051 0.051
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0011 0.0937 0.075
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.2346 0.2346
Giardia lamblia DINP protein human, muc B family 0.0019 0.2346 1
Echinococcus multilocularis dna polymerase kappa 0.0019 0.2346 0.2188
Schistosoma mansoni transcription factor LCR-F1 0.0042 0.6578 0.6578
Trypanosoma brucei unspecified product 0.0013 0.129 0.1887
Loa Loa (eye worm) TAR-binding protein 0.0061 1 1
Brugia malayi hypothetical protein 0.0025 0.3387 0.3387
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.2346 0.3432
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.2346 0.2188
Schistosoma mansoni hypothetical protein 0.0042 0.6578 0.6578
Onchocerca volvulus 0.0028 0.4007 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.2346 0.3432
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0202 0.0202
Leishmania major DNA polymerase eta, putative 0.0044 0.6836 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.2346 0.3432
Schistosoma mansoni tar DNA-binding protein 0.0061 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.2346 0.3432
Schistosoma mansoni cpg binding protein 0.003 0.4295 0.4295
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.2346 1
Echinococcus multilocularis dna polymerase eta 0.0044 0.6836 0.6771
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.2346 0.3432
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.3387 0.4955
Schistosoma mansoni cpg binding protein 0.0028 0.4007 0.4007
Schistosoma mansoni cpg binding protein 0.003 0.4295 0.4295
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0011 0.0937 0.075

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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