Detailed information for compound 1147253

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 458.555 | Formula: C24H18N4O2S2
  • H donors: 1 H acceptors: 4 LogP: 4.83 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ccc(cc1)C1SCC(=O)N1c1nnc(s1)Cn1c2ccccc2c2c1cccc2
  • InChi: 1S/C24H18N4O2S2/c29-16-11-9-15(10-12-16)23-28(22(30)14-31-23)24-26-25-21(32-24)13-27-19-7-3-1-5-17(19)18-6-2-4-8-20(18)27/h1-12,23,29H,13-14H2
  • InChiKey: ZDYSYPYCTSJYGU-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
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0118 0.0044
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0063 0.1448 0.1384
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.1053 0.0986
Schistosoma mansoni cytochrome P450 0.0011 0.016 0.016
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.002 0.0377 0.168
Mycobacterium leprae Conserved hypothetical protein 0.0011 0.016 0.5
Echinococcus granulosus expressed conserved protein 0.0102 0.2387 0.233
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0074 0.0074
Loa Loa (eye worm) cytochrome P450 family protein 0.003 0.0632 0.2301
Toxoplasma gondii exonuclease III APE 0.0019 0.0373 0.2261
Loa Loa (eye worm) hypothetical protein 0.0047 0.1035 0.3923
Echinococcus granulosus Protein patched homolog 1 0.0047 0.1035 0.0968
Brugia malayi cytochrome P450 0.0011 0.016 0.0385
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0373 1
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0373 0.3218
Loa Loa (eye worm) hypothetical protein 0.0009 0.0115 0.0224
Echinococcus multilocularis protein dispatched 1 0.0053 0.1196 0.113
Schistosoma mansoni hypothetical protein 0.0413 1 1
Mycobacterium leprae putative cytochrome p450 0.0011 0.016 0.5
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0373 0.983
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.1053 0.3995
Echinococcus multilocularis Niemann Pick C1 protein 0.0108 0.2548 0.2492
Schistosoma mansoni hypothetical protein 0.0045 0.0994 0.0994
Echinococcus granulosus sterol regulatory element binding protein 0.0047 0.1035 0.0968
Echinococcus multilocularis 0.0011 0.016 0.0087
Loa Loa (eye worm) CYP4Cod1 0.002 0.0377 0.1277
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0373 0.0301
Trypanosoma cruzi cytochrome P450, putative 0.002 0.0377 1
Echinococcus multilocularis protein patched 0.0047 0.1035 0.0968
Schistosoma mansoni cpg binding protein 0.0029 0.0608 0.0608
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0373 1
Echinococcus granulosus cytochrome P450 2K1 0.0011 0.016 0.0087
Schistosoma mansoni ap endonuclease 0.0019 0.0373 0.0373
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0047 0.1035 0.3923
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0608 0.2204
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.1448 0.1448
Schistosoma mansoni transcription factor LCR-F1 0.0114 0.2694 0.2694
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.1053 0.0986
Echinococcus granulosus Niemann Pick C1 protein 0.0155 0.3685 0.3638
Toxoplasma gondii histone lysine methyltransferase SET1 0.0055 0.1242 0.8515
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0373 0.3218
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0373 0.1652
Brugia malayi hypothetical protein 0.0114 0.2694 1
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0115 0.0212
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.1448 0.1448
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.1053 0.3774
Onchocerca volvulus 0.0029 0.0608 1
Schistosoma mansoni cpg binding protein 0.0031 0.0648 0.0648
Trypanosoma cruzi cytochrome P450, putative 0.002 0.0377 1
Entamoeba histolytica hypothetical protein 0.0114 0.2694 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1053 0.1053
Echinococcus granulosus Niemann Pick C1 protein 0.0108 0.2548 0.2492
Loa Loa (eye worm) hypothetical protein 0.0057 0.1291 0.4951
Entamoeba histolytica hypothetical protein 0.0114 0.2694 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.1053 0.0986
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0118 0.0236
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.1448 1
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0373 0.1193
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.1448 1
Echinococcus multilocularis cpg binding protein 0.0031 0.0648 0.0578
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1053 0.1053
Brugia malayi Cytochrome P450 family protein 0.003 0.0632 0.2174
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0373 0.5
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0373 0.983
Schistosoma mansoni patched 1 0.0047 0.1035 0.1035
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0063 0.1448 1
Toxoplasma gondii aldehyde dehydrogenase 0.0063 0.1448 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0373 0.983
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1053 0.1053
Brugia malayi Cytochrome P450 family protein 0.0011 0.016 0.0385
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0114 0.2694 0.2639
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0108 0.2548 0.9373
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.1053 0.0986
Schistosoma mansoni cpg binding protein 0.0031 0.0648 0.0648
Loa Loa (eye worm) cytochrome P450 family protein 0.002 0.0377 0.1277
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0373 0.5
Schistosoma mansoni hypothetical protein 0.0011 0.016 0.016
Schistosoma mansoni hypothetical protein 0.0045 0.0994 0.0994
Loa Loa (eye worm) cytochrome P450 family protein 0.002 0.0377 0.1277
Brugia malayi Cytochrome P450 family protein 0.002 0.0377 0.1207
Brugia malayi Cytochrome P450 family protein 0.002 0.0377 0.1207
Echinococcus multilocularis Niemann Pick C1 protein 0.0155 0.3685 0.3638
Entamoeba histolytica hypothetical protein 0.0114 0.2694 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0063 0.1448 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0063 0.1448 0.1384
Schistosoma mansoni hypothetical protein 0.0045 0.0994 0.0994
Echinococcus multilocularis expressed conserved protein 0.0102 0.2387 0.233
Loa Loa (eye worm) cytochrome P450 0.0011 0.016 0.0408
Entamoeba histolytica hypothetical protein 0.0114 0.2694 1
Trypanosoma brucei cytochrome P450, putative 0.002 0.0377 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.1448 1
Schistosoma mansoni hypothetical protein 0.0114 0.2694 0.2694
Schistosoma mansoni niemann-pick C1 (NPC1) 0.011 0.2589 0.2589
Echinococcus granulosus cpg binding protein 0.0031 0.0648 0.0578
Echinococcus multilocularis dnaJ subfamily B 0.0413 1 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0373 0.5
Brugia malayi CHE-14 protein 0.0047 0.1035 0.3706
Leishmania major cytochrome p450-like protein 0.002 0.0377 0.168
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0373 0.1652
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0114 0.2694 0.2639
Echinococcus multilocularis sterol regulatory element binding protein 0.0047 0.1035 0.0968
Schistosoma mansoni hypothetical protein 0.0045 0.0994 0.0994
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.1035 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0373 0.1262
Brugia malayi CXXC zinc finger family protein 0.0029 0.0608 0.2082
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0373 0.0301
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0118 0.0044
Toxoplasma gondii cytochrome p450 superfamily protein 0.0011 0.016 0.0731
Loa Loa (eye worm) hypothetical protein 0.0108 0.2548 1
Brugia malayi Niemann-Pick C1 protein precursor 0.0108 0.2548 0.9448
Schistosoma mansoni ap endonuclease 0.0019 0.0373 0.0373
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0062 0.1403 0.1403
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0373 0.1652

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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