Detailed information for compound 1679221

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 420.269 | Formula: C18H11Cl2N3O3S
  • H donors: 1 H acceptors: 2 LogP: 5.49 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: S=C=Nc1ccc(cc1)C(=O)n1[nH]c(cc1=O)COc1cc(Cl)cc(c1)Cl
  • InChi: 1S/C18H11Cl2N3O3S/c19-12-5-13(20)7-16(6-12)26-9-15-8-17(24)23(22-15)18(25)11-1-3-14(4-2-11)21-10-27/h1-8,22H,9H2
  • InChiKey: VRCQUYQZOOMLAL-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
Entamoeba histolytica hypothetical protein 0.0026 0 0.5
Onchocerca volvulus 0.0092 0.7809 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0093 0.7886 0.7734
Trichomonas vaginalis chromobox protein, putative 0.0047 0.2435 0.3419
Echinococcus multilocularis chromobox protein 1 0.0077 0.6049 0.4694
Loa Loa (eye worm) RNA binding protein 0.0063 0.4423 0.4022
Trichomonas vaginalis chromobox protein, putative 0.0077 0.6049 1
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0026 0 0.5
Echinococcus granulosus chromobox protein 1 0.0077 0.6049 0.4694
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0046 0.2396 0.1849
Brugia malayi chromobox protein homolog 3 0.0043 0.2048 0.1476
Loa Loa (eye worm) hypothetical protein 0.0092 0.7809 0.7651
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.2048 0.2714
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0093 0.7886 0.7734
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.2435 0.2171
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.2048 0.2714
Mycobacterium leprae conserved hypothetical protein 0.0026 0 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0093 0.7886 1
Loa Loa (eye worm) heterochromatin protein 1 0.0077 0.6049 0.5764
Brugia malayi Heterochromatin protein 1 0.0077 0.6049 0.5764
Trichomonas vaginalis chromobox protein, putative 0.0077 0.6049 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0093 0.7886 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.4423 0.52
Schistosoma mansoni tar DNA-binding protein 0.0063 0.4423 0.52
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0026 0 0.5
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0026 0 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0046 0.2396 0.1849
Loa Loa (eye worm) TAR-binding protein 0.0063 0.4423 0.4022
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0092 0.7809 0.7651
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0026 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0034 0.0945 0.0294
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0092 0.7809 0.9893
Leishmania major phosphopantetheinyl transferase-like protein 0.0026 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0063 0.4423 0.52
Echinococcus multilocularis chromobox protein 1 0.0077 0.6049 0.4694
Loa Loa (eye worm) MH2 domain-containing protein 0.0111 1 1
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0026 0 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0093 0.7886 1
Trypanosoma brucei hypothetical protein, conserved 0.0026 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0063 0.4423 0.52
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.7886 1
Echinococcus granulosus chromobox protein 1 0.0077 0.6049 0.4694
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0026 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.2048 0.1476
Echinococcus multilocularis L aminoadipate semialdehyde 0.0092 0.7809 0.9777
Loa Loa (eye worm) hypothetical protein 0.0046 0.2396 0.1849
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0043 0.2048 0.1606
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.4423 0.4022
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.7886 1
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0026 0 0.5
Trichomonas vaginalis chromobox protein, putative 0.0047 0.2435 0.3419
Brugia malayi TAR-binding protein 0.0063 0.4423 0.4022
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.4423 0.4022
Loa Loa (eye worm) transcription factor SMAD2 0.0111 1 1
Echinococcus granulosus L aminoadipate semialdehyde 0.0092 0.7809 0.9777
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0026 0 0.5
Schistosoma mansoni chromobox protein 0.0077 0.6049 0.7453
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.7886 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0046 0.2396 0.1849
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0026 0 0.5
Brugia malayi RNA binding protein 0.0063 0.4423 0.4022
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0026 0 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0093 0.7886 1
Schistosoma mansoni chromobox protein 0.0077 0.6049 0.7453
Schistosoma mansoni tar DNA-binding protein 0.0063 0.4423 0.52

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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