Detailed information for compound 1119151

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 356.356 | Formula: C16H12N4O4S
  • H donors: 4 H acceptors: 6 LogP: 2.29 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1c(O)cc(cc1O)c1nnc(o1)CSc1nc2c([nH]1)cccc2
  • InChi: 1S/C16H12N4O4S/c21-11-5-8(6-12(22)14(11)23)15-20-19-13(24-15)7-25-16-17-9-3-1-2-4-10(9)18-16/h1-6,21-23H,7H2,(H,17,18)
  • InChiKey: SQEIAQDYIHXRKN-UHFFFAOYSA-N  

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
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0214 0.1087
Loa Loa (eye worm) hypothetical protein 0.0017 0.0021 0.0108
Onchocerca volvulus 0.0035 0.0214 0.5
Schistosoma mansoni hypothetical protein 0.002 0.0058 0.1112
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0041 0.0275 0.1399
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.0021 0.0366
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0041 0.0275 0.0202
Toxoplasma gondii exonuclease III APE 0.0041 0.0275 1
Trichomonas vaginalis conserved hypothetical protein 0.0195 0.1909 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0214 0.1087
Trichomonas vaginalis ap endonuclease, putative 0.0041 0.0275 0.0362
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0222 0.2195 0.6509
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0041 0.0275 0.0844
Loa Loa (eye worm) hypothetical protein 0.0035 0.0214 0.1087
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.0078 0.1287
Mycobacterium ulcerans lipase LipD 0.0035 0.0214 0.0656
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.0215 0.0194
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0041 0.0275 0.5
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0021 0.0366
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.0078 0.0057
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein 0.0323 0.3258 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0214 0.4272
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0214 0.7767
Loa Loa (eye worm) hypothetical protein 0.0201 0.1967 1
Treponema pallidum hypothetical protein 0.0323 0.3258 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0041 0.0275 1
Schistosoma mansoni ap endonuclease 0.0041 0.0275 0.5518
Mycobacterium ulcerans beta-lactamase 0.0035 0.0214 0.0656
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0058 0.0459 1
Brugia malayi Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog 0.0201 0.1967 1
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0214 0.7767
Loa Loa (eye worm) hypothetical protein 0.0037 0.024 0.1221
Trypanosoma cruzi ISWI complex protein 0.0015 0.0003 0.0114
Mycobacterium leprae PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC 0.0323 0.3258 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0264 0.1345
Loa Loa (eye worm) hypothetical protein 0.0035 0.0214 0.1087
Schistosoma mansoni zinc finger protein 0.0019 0.0047 0.0891
Onchocerca volvulus 0.0035 0.0214 0.5
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative 0.0323 0.3258 1
Brugia malayi exodeoxyribonuclease III family protein 0.0041 0.0275 0.1399
Trichomonas vaginalis ap endonuclease, putative 0.0041 0.0275 0.0362
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0041 0.0275 0.0255
Trypanosoma cruzi ISWI complex protein 0.0015 0.0003 0.0114
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0078 0.151
Loa Loa (eye worm) beta-lactamase 0.0035 0.0214 0.1087
Loa Loa (eye worm) bromodomain containing protein 0.0017 0.0027 0.014
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0041 0.0275 1
Echinococcus multilocularis zinc finger protein 0.0019 0.0047 0.0026
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0214 0.1087
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0214 0.0656
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0058 0.0295
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0058 0.0459 0.0439
Loa Loa (eye worm) hypothetical protein 0.0041 0.0284 0.1444
Echinococcus granulosus zinc finger protein 0.0019 0.0047 0.0592
Brugia malayi PHD-finger family protein 0.0024 0.0102 0.0518
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0041 0.0275 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0041 0.0275 0.0202
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0214 0.7767
Loa Loa (eye worm) hypothetical protein 0.0069 0.0573 0.2911
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0021 0.0366
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic 0.0323 0.3258 1
Trypanosoma brucei ISWI complex protein 0.0015 0.0003 0.0114
Brugia malayi beta-lactamase family protein 0.0035 0.0214 0.1087
Onchocerca volvulus 0.0035 0.0214 0.5
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.0215 0.4427
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0214 0.4272
Schistosoma mansoni bromodomain containing protein 0.0061 0.0496 1
Brugia malayi beta-lactamase family protein 0.0035 0.0214 0.1087
Loa Loa (eye worm) hypothetical protein 0.0035 0.0214 0.1087
Schistosoma mansoni ap endonuclease 0.0041 0.0275 0.5518
Brugia malayi Bromodomain containing protein 0.0073 0.0616 0.3134
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0041 0.0275 0.5
Loa Loa (eye worm) hypothetical protein 0.0035 0.0214 0.1087
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0214 0.4395
Mycobacterium ulcerans hypothetical protein 0.0035 0.0214 0.0656
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0041 0.0275 0.5
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0041 0.0275 0.5797
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.0021 0.0366
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0041 0.0275 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0214 0.0193
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0214 0.0656
Leishmania major hypothetical protein, conserved 0.0035 0.0214 0.7767
Leishmania major hypothetical protein, conserved 0.0015 0.0003 0.0114
Loa Loa (eye worm) hypothetical protein 0.0035 0.0214 0.1087
Brugia malayi Bromodomain containing protein 0.0037 0.0239 0.1217
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase 0.0323 0.3258 1
Brugia malayi beta-lactamase 0.0035 0.0214 0.1087

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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