Detailed information for compound 1807531

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 301.985 | Formula: C9H8Cl4N2O
  • H donors: 1 H acceptors: 0 LogP: 5.16 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCO/N=C/Nc1c(Cl)c(Cl)cc(c1Cl)Cl
  • InChi: 1S/C9H8Cl4N2O/c1-2-16-15-4-14-9-7(12)5(10)3-6(11)8(9)13/h3-4H,2H2,1H3,(H,14,15)
  • InChiKey: WDHVIRMUWDOQQF-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
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.123 0.3921
Loa Loa (eye worm) hypothetical protein 0.0098 0.2931 0.2931
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0103 0.3138 1
Echinococcus granulosus mitogen activated protein kinase 3 0.0103 0.3138 0.4674
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.1082 0.1035
Schistosoma mansoni ap endonuclease 0.004 0.0861 0.0645
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0729 0.041
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1082 0.1035
Schistosoma mansoni ap endonuclease 0.004 0.0861 0.0645
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.1082 0.1035
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0103 0.3138 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.004 0.0861 1
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.066 0.2103
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0073 0.2045 0.6518
Trichomonas vaginalis CMGC family protein kinase 0.0103 0.3138 1
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0073 0.2045 1
Echinococcus multilocularis mitogen activated protein kinase 0.0103 0.3138 0.4674
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0103 0.3138 1
Echinococcus granulosus mitogen activated protein kinase 0.0103 0.3138 0.4674
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.004 0.0861 0.5
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0073 0.2045 0.5201
Schistosoma mansoni serine/threonine protein kinase 0.0103 0.3138 0.4674
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.1082 0.3447
Onchocerca volvulus 0.003 0.0497 0.5
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.003 0.0497 0.0497
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1082 0.1035
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.004 0.0861 1
Schistosoma mansoni hypothetical protein 0.0036 0.0729 0.041
Brugia malayi intermediate filament protein 0.003 0.0497 0.1583
Loa Loa (eye worm) hypothetical protein 0.005 0.123 0.123
Onchocerca volvulus 0.003 0.0497 0.5
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.004 0.0861 0.0645
Trichomonas vaginalis CMGC family protein kinase 0.0103 0.3138 1
Loa Loa (eye worm) intermediate filament protein 0.003 0.0497 0.0497
Trypanosoma brucei protein kinase, putative 0.0103 0.3138 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.123 0.3921
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0103 0.3138 1
Schistosoma mansoni hypothetical protein 0.0187 0.6148 1
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0103 0.3138 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.1082 0.1035
Schistosoma mansoni hypothetical protein 0.0187 0.6148 1
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0073 0.2045 0.274
Entamoeba histolytica exodeoxyribonuclease III, putative 0.004 0.0861 0.1005
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1082 0.1035
Schistosoma mansoni hypothetical protein 0.0034 0.066 0.0289
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.004 0.0861 0.0861
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0073 0.2045 0.5201
Loa Loa (eye worm) hypothetical protein 0.0034 0.066 0.066
Brugia malayi hypothetical protein 0.0036 0.0729 0.2322
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.123 0.123
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.004 0.0861 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0729 0.041
Loa Loa (eye worm) hypothetical protein 0.0029 0.0477 0.0477
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0103 0.3138 0.3138
Echinococcus granulosus beta galactosidase 0.0098 0.2931 0.4308
Echinococcus multilocularis transcription factor Dp 1 0.0042 0.0943 0.0789
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0103 0.3138 1
Trichomonas vaginalis CMGC family protein kinase 0.0103 0.3138 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0103 0.3138 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.004 0.0861 0.5
Brugia malayi Intermediate filament tail domain containing protein 0.003 0.0497 0.1583
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0073 0.2045 0.274
Loa Loa (eye worm) hypothetical protein 0.003 0.0497 0.0497
Echinococcus granulosus transcription factor Dp 1 0.0042 0.0943 0.0789
Giardia lamblia Kinase, CMGC MAPK 0.0103 0.3138 1
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0073 0.2045 0.274
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0073 0.2045 0.5201
Brugia malayi exodeoxyribonuclease III family protein 0.004 0.0861 0.2743
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.1082 0.1035
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.004 0.0861 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0103 0.3138 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.1082 0.1082
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0729 0.041
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0073 0.2045 0.2045
Echinococcus multilocularis geminin 0.0187 0.6148 1
Echinococcus multilocularis beta galactosidase 0.0098 0.2931 0.4308
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0103 0.3138 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.004 0.0861 0.0645
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0073 0.2045 0.5201
Echinococcus granulosus geminin 0.0187 0.6148 1
Brugia malayi MAP kinase sur-1 0.0103 0.3138 1
Schistosoma mansoni beta-galactosidase 0.0098 0.2931 0.4308
Echinococcus multilocularis mitogen activated protein kinase 3 0.0103 0.3138 0.4674

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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