Detailed information for compound 1073212

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 298.255 | Formula: C11H11N2O4PS
  • H donors: 3 H acceptors: 4 LogP: 0.54 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1sc2c(n1)c1c(C2)ccc(c1)OCP(=O)(O)O
  • InChi: 1S/C11H11N2O4PS/c12-11-13-10-8-4-7(17-5-18(14,15)16)2-1-6(8)3-9(10)19-11/h1-2,4H,3,5H2,(H2,12,13)(H2,14,15,16)
  • InChiKey: BGZPABIXYOYEPI-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
Trichomonas vaginalis conserved hypothetical protein 0.0121 0.4476 0.5
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.1535 0.343
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0121 0.4476 0.4641
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.1535 0.1592
Schistosoma mansoni aryl hydrocarbon receptor 0.0056 0.1414 0.3158
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.1535 1
Brugia malayi Cytochrome P450 family protein 0.0064 0.1783 0.1783
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.1535 1
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0121 0.4476 1
Trypanosoma cruzi cytochrome P450, putative 0.0064 0.1783 0.3983
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0121 0.4476 1
Brugia malayi hypothetical protein 0.023 0.9644 0.9644
Echinococcus granulosus survival motor neuron protein 1 0.023 0.9644 1
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0121 0.4476 1
Echinococcus granulosus ubiquitin specific protease 41 0.0121 0.4476 0.4641
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0121 0.4476 0.4641
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.1535 0.343
Brugia malayi PAS domain containing protein 0.0056 0.1414 0.1414
Brugia malayi hypothetical protein 0.019 0.7724 0.7724
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0064 0.1783 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.1535 0.8611
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0121 0.4476 1
Loa Loa (eye worm) hypoxia-induced factor 1 0.0175 0.7028 0.7028
Mycobacterium ulcerans putative regulatory protein 0.0042 0.0717 0.4022
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0121 0.4476 0.5
Trypanosoma brucei cytochrome P450, putative 0.0064 0.1783 0.3983
Loa Loa (eye worm) hypothetical protein 0.023 0.9644 0.9644
Loa Loa (eye worm) hypothetical protein 0.0038 0.0516 0.0516
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0121 0.4476 0.5
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0121 0.4476 0.4476
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.1535 0.343
Echinococcus multilocularis ubiquitin specific protease 41 0.0121 0.4476 0.4641
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0121 0.4476 0.4641
Schistosoma mansoni single-minded 0.0056 0.1414 0.3158
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0959 0.0959
Loa Loa (eye worm) cytochrome P450 family protein 0.0064 0.1783 0.1783
Schistosoma mansoni hypothetical protein 0.0047 0.0959 0.2143
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0121 0.4476 0.5
Loa Loa (eye worm) hypothetical protein 0.0121 0.4476 0.4476
Echinococcus granulosus single minded 2 0.0042 0.0717 0.0744
Loa Loa (eye worm) CYP4Cod1 0.0064 0.1783 0.1783
Brugia malayi bHLH-PAS transcription factor 0.0042 0.0717 0.0717
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0121 0.4476 0.4641
Echinococcus multilocularis survival motor neuron protein 1 0.023 0.9644 1
Loa Loa (eye worm) hypothetical protein 0.019 0.7724 0.7724
Schistosoma mansoni survival motor neuron protein 0.0047 0.0959 0.2143
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.1535 0.8611
Loa Loa (eye worm) cytochrome P450 family protein 0.0064 0.1783 0.1783
Echinococcus multilocularis transfer RNA-Lys 0.0042 0.0717 0.0744
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0121 0.4476 1
Onchocerca volvulus 0.0047 0.0959 1
Brugia malayi Cytochrome P450 family protein 0.0064 0.1783 0.1783
Leishmania major cytochrome p450-like protein 0.0064 0.1783 0.3983
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0121 0.4476 0.5
Trypanosoma cruzi cytochrome P450, putative 0.0064 0.1783 0.3983
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.1535 0.1592
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.1535 0.8611
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0121 0.4476 1
Brugia malayi hypoxia-induced factor 1 0.0175 0.7028 0.7028

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 112 uM Inhibition of human liver FBPase ChEMBL. 19762234

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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