Detailed information for compound 1487604

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 352.302 | Formula: C14H13N2O5PS
  • H donors: 3 H acceptors: 4 LogP: 1.37 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)c1sc(nc1c1ccc(o1)P(=O)(O)O)N
  • InChi: 1S/C14H13N2O5PS/c1-20-9-4-2-3-8(7-9)13-12(16-14(15)23-13)10-5-6-11(21-10)22(17,18)19/h2-7H,1H3,(H2,15,16)(H2,17,18,19)
  • InChiKey: NNINGARDLYXIQC-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens fructose-1,6-bisphosphatase 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) fructose-1,6-bisphosphatase Get druggable targets OG5_127400 All targets in OG5_127400
Schistosoma mansoni fructose-16-bisphosphatase-related Get druggable targets OG5_127400 All targets in OG5_127400
Leishmania mexicana fructose-1,6-bisphosphatase, cytosolic, putative Get druggable targets OG5_127400 All targets in OG5_127400
Trypanosoma brucei fructose-1,6-bisphosphatase Get druggable targets OG5_127400 All targets in OG5_127400
Trypanosoma brucei gambiense fructose-1,6-bisphosphate, cytosolic, putative Get druggable targets OG5_127400 All targets in OG5_127400
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative Get druggable targets OG5_127400 All targets in OG5_127400
Leishmania major Get druggable targets OG5_127400 All targets in OG5_127400
Candida albicans similar to S. cerevisiae FBP1 (YLR377C) Fructose-1,6-bisphosphatase Get druggable targets OG5_127400 All targets in OG5_127400
Leishmania donovani fructose-1,6-bisphosphatase, cytosolic, putative Get druggable targets OG5_127400 All targets in OG5_127400
Echinococcus multilocularis fructose 1,6 bisphosphatase 1 Get druggable targets OG5_127400 All targets in OG5_127400
Schistosoma japonicum ko:K03841 fructose-1,6-bisphosphatase I, putative Get druggable targets OG5_127400 All targets in OG5_127400
Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_127400 All targets in OG5_127400
Echinococcus granulosus fructose 16 bisphosphatase 1 Get druggable targets OG5_127400 All targets in OG5_127400
Trypanosoma congolense fructose-1,6-bisphosphate, cytosolic, putative Get druggable targets OG5_127400 All targets in OG5_127400
Leishmania braziliensis fructose-1,6-bisphosphatase, cytosolic, putative Get druggable targets OG5_127400 All targets in OG5_127400
Leishmania infantum fructose-1,6-bisphosphatase, cytosolic, putative Get druggable targets OG5_127400 All targets in OG5_127400
Toxoplasma gondii fructose-bisphospatase II Get druggable targets OG5_127400 All targets in OG5_127400
Neospora caninum Fructose-1 6-biphosphatase, related Get druggable targets OG5_127400 All targets in OG5_127400
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative Get druggable targets OG5_127400 All targets in OG5_127400

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii fructose-bisphospatase I fructose-1,6-bisphosphatase 1 338 aa 326 aa 31.0 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0568 0.1439 1
Loa Loa (eye worm) hypothetical protein 0.0694 0.196 0.6627
Echinococcus granulosus neuropeptide FF receptor 2 0.0694 0.196 0.196
Giardia lamblia High cysteine membrane protein Group 2 0.0347 0.0524 0.5
Loa Loa (eye worm) endoprotease bli-4 0.0935 0.2957 1
Echinococcus granulosus furin 0.0935 0.2957 0.2957
Echinococcus multilocularis proprotein convertase subtilisin:kexin type 5 0.0568 0.1439 0.1439
Loa Loa (eye worm) hypothetical protein 0.0367 0.0604 0.2043
Schistosoma mansoni furin-1 (S08 family) 0.0407 0.077 0.077
Echinococcus multilocularis neuropeptide receptor 0.2636 1 1
Echinococcus multilocularis neuropeptide FF receptor 2 0.0694 0.196 0.196
Echinococcus multilocularis G protein coupled receptor 139 0.2636 1 1
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.0935 0.2957 0.2957
Brugia malayi endoprotease bli-4 precursor 0.0935 0.2957 1
Schistosoma mansoni neuropeptide receptor 0.2636 1 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0568 0.1439 1
Loa Loa (eye worm) hypothetical protein 0.0935 0.2957 1
Echinococcus granulosus proprotein convertase subtilisin:kexin type 5 0.0568 0.1439 0.1439
Echinococcus granulosus neuroendocrine convertase 2 0.0588 0.1519 0.1519
Echinococcus multilocularis 0.0754 0.2208 0.2208
Echinococcus multilocularis neuroendocrine convertase 2 0.0588 0.1519 0.1519
Brugia malayi Tachykinin-like peptides receptor 99D 0.0694 0.196 0.3067
Brugia malayi celfurPC protein 0.0754 0.2208 0.4795

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.021 uM Inhibition of human liver FBP ChEMBL. 21126019

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.