Detailed information for compound 1012810

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 408.262 | Formula: C16H11Cl2N5O2S
  • H donors: 2 H acceptors: 4 LogP: 3.21 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc2c(c1)S(=O)(=O)c1c(N2c2cccc(c2)Cl)nc(nc1N)N
  • InChi: 1S/C16H11Cl2N5O2S/c17-8-2-1-3-10(6-8)23-11-5-4-9(18)7-12(11)26(24,25)13-14(19)21-16(20)22-15(13)23/h1-7H,(H4,19,20,21,22)
  • InChiKey: LJTRLMWYUAKVBP-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
Loa Loa (eye worm) intermediate filament protein 0.003 0.0564 0.0564
Loa Loa (eye worm) hypothetical protein 0.0017 0.006 0.006
Brugia malayi Pre-SET motif family protein 0.0032 0.0656 0.0656
Echinococcus granulosus intermediate filament protein 0.003 0.0564 0.0507
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0032 0.0656 0.4077
Echinococcus granulosus muscleblind protein 0.0166 0.6077 0.6054
Schistosoma mansoni survival motor neuron protein 0.0053 0.1522 1
Loa Loa (eye worm) hypothetical protein 0.0094 0.3155 0.3155
Echinococcus granulosus lamin dm0 0.003 0.0564 0.0507
Schistosoma mansoni lamin 0.003 0.0564 0.3449
Loa Loa (eye worm) hypothetical protein 0.0032 0.0656 0.0656
Loa Loa (eye worm) hypothetical protein 0.0094 0.3155 0.3155
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0224 0.8458 0.8458
Schistosoma mansoni hypothetical protein 0.0053 0.1522 1
Toxoplasma gondii hypothetical protein 0.0094 0.3155 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0542 0.0542
Brugia malayi intermediate filament protein 0.003 0.0564 0.0564
Schistosoma mansoni hypothetical protein 0.0038 0.0884 0.5639
Loa Loa (eye worm) hypothetical protein 0.0166 0.6077 0.6077
Plasmodium vivax SET domain protein, putative 0.0032 0.0656 0.5
Schistosoma mansoni intermediate filament proteins 0.003 0.0564 0.3449
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0055 0.1595 0.1595
Onchocerca volvulus 0.0032 0.0656 0.01
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.003 0.0564 0.0564
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.0656 0.06
Onchocerca volvulus 0.0053 0.1522 0.1046
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0656 0.4077
Echinococcus multilocularis survival motor neuron protein 1 0.0262 1 1
Echinococcus multilocularis musashi 0.003 0.0564 0.0507
Loa Loa (eye worm) hypothetical protein 0.003 0.0564 0.0564
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.0884 0.0884
Brugia malayi Calcitonin receptor-like protein seb-1 0.0055 0.1595 0.1595
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0055 0.1595 0.1595
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.006 0.006
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.006 0.006
Echinococcus granulosus survival motor neuron protein 1 0.0262 1 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0656 0.4077
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0032 0.0656 0.06
Brugia malayi Muscleblind-like protein 0.0166 0.6077 0.6077
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0053 0.1522 0.1522
Echinococcus multilocularis lamin dm0 0.003 0.0564 0.0507
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0656 0.4077
Loa Loa (eye worm) hypothetical protein 0.0055 0.1595 0.1595
Brugia malayi Intermediate filament tail domain containing protein 0.003 0.0564 0.0564
Trichomonas vaginalis set domain proteins, putative 0.0255 0.9717 0.5
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.0656 0.06
Echinococcus multilocularis lamin 0.003 0.0564 0.0507
Loa Loa (eye worm) hypothetical protein 0.0094 0.3155 0.3155
Loa Loa (eye worm) hypothetical protein 0.0038 0.0884 0.0884
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0031 0.0608 0.0551
Brugia malayi Latrophilin receptor protein 2 0.0017 0.006 0.006
Echinococcus multilocularis muscleblind protein 0.0166 0.6077 0.6054
Loa Loa (eye worm) inward rectifying k channel family protein 1 0.0094 0.3155 0.3155
Loa Loa (eye worm) hypothetical protein 0.0166 0.6077 0.6077
Echinococcus granulosus lamin 0.003 0.0564 0.0507
Loa Loa (eye worm) hypothetical protein 0.0262 1 1
Echinococcus multilocularis muscleblind protein 1 0.0166 0.6077 0.6054
Schistosoma mansoni lamin 0.003 0.0564 0.3449
Onchocerca volvulus 0.0255 0.9717 1
Brugia malayi Pre-SET motif family protein 0.0224 0.8458 0.8458

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 0 % Antimalarial activity against chloroquine-sensitive Plasmodium berghei ANKA infected BALB/c mice (Mus musculus) erythrocytes at 10 uM after 18 hrs as reduced hemoglobin hydrolysis ChEMBL. 18835067
Inhibition (functional) < 5 % Inhibition of beta-hematin formation assessed as inhibition of flavoprotein polymerization at 5 to 100 mM after 48 hrs ChEMBL. 18835067

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

1 literature reference was collected for this gene.

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