Detailed information for compound 46709

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 289.115 | Formula: C11H10Cl2N2O3
  • H donors: 2 H acceptors: 3 LogP: 1.61 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC1[C@@H](OCC1O)c1c(Cl)nc2n1cc(Cl)cc2
  • InChi: 1S/C11H10Cl2N2O3/c12-5-1-2-7-14-11(13)8(15(7)3-5)10-9(17)6(16)4-18-10/h1-3,6,9-10,16-17H,4H2/t6?,9?,10-/m1/s1
  • InChiKey: RJHCFGVAYGDWCW-QKPUFMLISA-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
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0042 0.0277 0.4588
Toxoplasma gondii histone deacetylase HDAC1 0.0568 0.7226 1
Chlamydia trachomatis arginine ABC transporter substrate-binding protein ArtJ 0.0024 0.0043 0.5
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0278 0.3399 0.4492
Loa Loa (eye worm) transcription factor SMAD2 0.0127 0.1405 0.1876
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.003 0.0123 0.0123
Giardia lamblia Translation initiation factor eIF-4A, putative 0.0278 0.3399 0.5
Echinococcus multilocularis baculoviral IAP repeat containing protein 0.0167 0.1929 0.1929
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.003 0.0123 0.0123
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.003 0.0123 0.0123
Schistosoma mansoni histone deacetylase hda2 0.0568 0.7226 0.7209
Plasmodium falciparum histone deacetylase 2 0.0568 0.7226 1
Schistosoma mansoni hypothetical protein 0.0167 0.1929 0.188
Echinococcus multilocularis histone deacetylase 6 0.0568 0.7226 0.7226
Brugia malayi MH2 domain containing protein 0.0127 0.1405 0.1876
Echinococcus multilocularis histone deacetylase 6 0.0568 0.7226 0.7226
Echinococcus granulosus eukaryotic initiation factor 4A 0.0278 0.3399 0.3399
Echinococcus granulosus inositol monophosphatase 1 0.0042 0.0277 0.0277
Trypanosoma brucei histone deacetylase, putative 0.0568 0.7226 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0033 0.0166 0.0166
Schistosoma mansoni glutamate receptor NMDA 0.003 0.0123 0.0063
Mycobacterium ulcerans O-succinylbenzoate synthase 0.0063 0.0554 1
Loa Loa (eye worm) hypothetical protein 0.0568 0.7226 1
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0042 0.0277 0.5
Brugia malayi eukaryotic initiation factor 4A 0.0278 0.3399 0.4659
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.0278 0.3399 0.3347
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.003 0.0123 0.0123
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0167 0.1929 0.2608
Brugia malayi N-terminal motif family protein 0.0192 0.2263 0.3075
Echinococcus granulosus histone deacetylase 7 0.0568 0.7226 0.7226
Schistosoma mansoni inhibitor of apoptosis (iap) domain family member 0.0167 0.1929 0.188
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0278 0.3399 1
Brugia malayi Histone deacetylase family protein 0.0568 0.7226 1
Schistosoma mansoni histone deacetylase 4 5 0.0568 0.7226 0.7209
Echinococcus multilocularis histone deacetylase 0.0568 0.7226 0.7226
Echinococcus granulosus baculoviral IAP repeat containing protein 0.0167 0.1929 0.1929
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.0278 0.3399 0.3399
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.003 0.0123 0.0123
Echinococcus multilocularis inhibitor of apoptosis protein 0.0167 0.1929 0.1929
Leishmania major histone deacetylase, putative 0.0568 0.7226 1
Echinococcus multilocularis histone deacetylase 6 0.0568 0.7226 0.7226
Leishmania major histone deacetylase, putative 0.0568 0.7226 1
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.0278 0.3399 1
Loa Loa (eye worm) runx1 0.0063 0.0555 0.069
Echinococcus granulosus eukaryotic initiation factor 4A III 0.0278 0.3399 0.3399
Brugia malayi Inositol-1 0.0042 0.0277 0.0304
Loa Loa (eye worm) hypothetical protein 0.0167 0.1929 0.2608
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0278 0.3399 0.4492
Loa Loa (eye worm) hypothetical protein 0.0499 0.6321 0.8737
Chlamydia trachomatis glutamine binding protein 0.0024 0.0043 0.5
Schistosoma mansoni microtubule-associated protein tau 0.0778 1 1
Leishmania major eukaryotic initiation factor 4a, putative 0.0278 0.3399 0.4492
Schistosoma mansoni lozenge 0.0063 0.0555 0.0498
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0278 0.3399 1
Treponema pallidum ATP-dependent RNA helicase 0.0278 0.3399 1
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0037 0.022 0.0527
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0167 0.1929 0.2608
Trypanosoma brucei histone deacetylase 4 0.0568 0.7226 1
Echinococcus granulosus nmda type glutamate receptor 0.0033 0.0166 0.0166
Echinococcus multilocularis glutamate receptor 2 0.003 0.0123 0.0123
Echinococcus granulosus histone deacetylase 6 0.0568 0.7226 0.7226
Echinococcus multilocularis Protein lozenge 0.0063 0.0555 0.0555
Schistosoma mansoni histone deacetylase 4 5 0.0568 0.7226 0.7209
Trypanosoma cruzi histone deacetylase, putative 0.0568 0.7226 1
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0278 0.3399 0.3359
Echinococcus multilocularis nmda type glutamate receptor 0.0033 0.0166 0.0166
Echinococcus granulosus glutamate receptor 2 0.003 0.0123 0.0123
Trypanosoma cruzi histone deacetylase, putative 0.0568 0.7226 1
Loa Loa (eye worm) histone deacetylase 0.0568 0.7226 1
Echinococcus granulosus histone deacetylase 0.0568 0.7226 0.7226
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.0278 0.3399 0.4492
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.003 0.0123 0.0123
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.0278 0.3399 0.4492
Echinococcus granulosus inhibitor of apoptosis protein 0.0167 0.1929 0.1929
Loa Loa (eye worm) hypothetical protein 0.0278 0.3399 0.4659
Echinococcus multilocularis glutamate receptor 2 0.0025 0.006 0.006
Brugia malayi Histone deacetylase family protein 0.0568 0.7226 1
Echinococcus multilocularis inositol monophosphatase 1 0.0042 0.0277 0.0277
Loa Loa (eye worm) hypothetical protein 0.0167 0.1929 0.2608
Plasmodium vivax histone deacetylase, putative 0.0568 0.7226 1
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0192 0.2263 0.0762
Loa Loa (eye worm) histone deacetylase 7A 0.0568 0.7226 1
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0278 0.3399 0.3359
Echinococcus multilocularis microtubule associated protein 2 0.0778 1 1
Trypanosoma brucei histone deacetylase 3 0.0568 0.7226 1
Echinococcus granulosus histone deacetylase 6 0.0568 0.7226 0.7226
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0025 0.006 0.006
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.0278 0.3399 1
Loa Loa (eye worm) hypothetical protein 0.0568 0.7226 1
Plasmodium falciparum histone deacetylase, putative 0.0568 0.7226 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.003 0.0123 0.0123
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.003 0.0123 0.0123
Loa Loa (eye worm) hypothetical protein 0.0499 0.6321 0.8737
Loa Loa (eye worm) hypothetical protein 0.0192 0.2263 0.3075
Schistosoma mansoni inositol monophosphatase 0.0042 0.0277 0.0219
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0037 0.022 0.5
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0278 0.3399 1
Brugia malayi hypothetical protein 0.0499 0.6321 0.8737
Plasmodium vivax histone deacetylase 2, putative 0.0568 0.7226 1
Echinococcus multilocularis eukaryotic initiation factor 4A 0.0278 0.3399 0.3399
Loa Loa (eye worm) MH2 domain-containing protein 0.0127 0.1405 0.1876
Echinococcus granulosus glutamate NMDA receptor subunit 0.0025 0.006 0.006
Echinococcus granulosus histone deacetylase 6 0.0568 0.7226 0.7226
Onchocerca volvulus 0.0499 0.6321 1
Loa Loa (eye worm) inositol-1 0.0042 0.0277 0.0304
Trypanosoma cruzi histone deacetylase, putative 0.0568 0.7226 1
Echinococcus multilocularis histone deacetylase 7 0.0568 0.7226 0.7226
Schistosoma mansoni inositol monophosphatase 0.0042 0.0277 0.0219
Leishmania major eukaryotic initiation factor 4a, putative 0.0278 0.3399 0.4492
Schistosoma mansoni inhibitor of apoptosis protein 0.0167 0.1929 0.188

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 100 uM Antiviral activity against HCMV using plaque reduction assay; >100 indicates IC50 greater than the noted(highest) concentration tested. ChEMBL. 12672244
IC50 (functional) > 100 uM Antiviral activity against HSV-1 using ELISA assay; >100 indicates IC50 greater than the noted (highest) concentration tested. ChEMBL. 12672244
IC50 (functional) > 100 uM Visual cytotoxicity was scored on HFF cells at time of HCMV plaque enumeration; >100 indicates IC50 greater than the noted(highest) concentration tested. ChEMBL. 12672244
IC50 (functional) > 100 uM Inhibition of KB cell growth was determined; >100 indicates IC50 greater than the noted(highest) concentration tested. ChEMBL. 12672244

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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