Detailed information for compound 286823

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 471.32 | Formula: C12H19N5O9P2S
  • H donors: 5 H acceptors: 9 LogP: -2.16 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CNc1nc(SC)nc2c1ncn2[C@@H]1C[C@H]([C@H](O1)COP(=O)(O)O)OP(=O)(O)O
  • InChi: 1S/C12H19N5O9P2S/c1-13-10-9-11(16-12(15-10)29-2)17(5-14-9)8-3-6(26-28(21,22)23)7(25-8)4-24-27(18,19)20/h5-8H,3-4H2,1-2H3,(H,13,15,16)(H2,18,19,20)(H2,21,22,23)/t6-,7-,8-/m1/s1
  • InChiKey: LNUFPAGVJSFPHP-BWZBUEFSSA-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
Loa Loa (eye worm) notch protein 0.0067 0.0021 0.0043
Loa Loa (eye worm) hypothetical protein 0.0067 0.0021 0.0043
Loa Loa (eye worm) hypothetical protein 0.0206 0.1448 0.3001
Entamoeba histolytica Pten 3-phosphoinositide phosphatase, putative 0.0065 0 0.5
Echinococcus multilocularis neural cadherin 0.0067 0.0021 0.0021
Brugia malayi EGF-like domain containing protein 0.0067 0.0021 0.0041
Schistosoma mansoni hypothetical protein 0.0067 0.0021 0.0021
Loa Loa (eye worm) bone morphogenetic protein 1b 0.0176 0.1138 0.2359
Loa Loa (eye worm) hypothetical protein 0.0067 0.0021 0.0043
Echinococcus multilocularis slit 2 protein 0.0067 0.0021 0.0021
Echinococcus multilocularis neurogenic locus protein delta 0.0067 0.0021 0.0021
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0073 0.0083 0.5
Echinococcus granulosus Tolloid protein 1 0.0176 0.1138 0.1138
Brugia malayi GCC2 and GCC3 family protein 0.0067 0.0021 0.0041
Brugia malayi Cadherin domain containing protein 0.0067 0.0021 0.0041
Brugia malayi notch-like transmembrane receptor 0.0067 0.0021 0.0041
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0084 0.0194 0.0194
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0095 0.031 0.0316
Echinococcus multilocularis Tolloid protein 1 0.0176 0.1138 0.1138
Echinococcus multilocularis receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type 0.0095 0.031 0.031
Loa Loa (eye worm) hypothetical protein 0.0067 0.0021 0.0043
Toxoplasma gondii kringle domain-containing protein 0.0073 0.0083 0.0558
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0421 0.3661 0.7586
Brugia malayi Calcium binding EGF domain containing protein 0.0176 0.1138 0.2217
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0095 0.031 0.0316
Onchocerca volvulus Neurogenic locus notch homolog 0.0067 0.0021 0.0047
Brugia malayi EGF-like domain containing protein 0.0067 0.0021 0.0041
Loa Loa (eye worm) hypothetical protein 0.0067 0.0021 0.0043
Schistosoma mansoni cell polarity protein 0.0067 0.0021 0.0021
Onchocerca volvulus 0.0067 0.0021 0.0047
Echinococcus granulosus fibropellin Ia 0.0067 0.0021 0.0021
Onchocerca volvulus Arrow homolog 0.0176 0.1138 0.2548
Echinococcus multilocularis neurogenic locus notch protein 0.0067 0.0021 0.0021
Schistosoma mansoni protein tyrosine phosphatase n11 (shp2) 0.0084 0.0194 0.0197
Onchocerca volvulus Putative cubilin 0.0067 0.0021 0.0047
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0067 0.0021 0.0041
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0421 0.3661 0.3661
Echinococcus granulosus protein jagged 2 0.0067 0.0021 0.0021
Trypanosoma brucei protein tyrosine phosphatase 1 0.0065 0 0.5
Brugia malayi Calcium binding EGF domain containing protein 0.0067 0.0021 0.0041
Loa Loa (eye worm) hypothetical protein 0.0067 0.0021 0.0043
Loa Loa (eye worm) hypothetical protein 0.0067 0.0021 0.0043
Echinococcus granulosus neural cadherin 0.0067 0.0021 0.0021
Schistosoma mansoni notch 0.0067 0.0021 0.0021
Echinococcus multilocularis protein jagged 1 0.0067 0.0021 0.0021
Brugia malayi EGF-like domain containing protein 0.0067 0.0021 0.0041
Brugia malayi Protein-tyrosine phosphatase 0.0564 0.5136 1
Echinococcus granulosus protein jagged 2 0.0067 0.0021 0.0021
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0421 0.3661 0.3661
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0084 0.0194 0.0401
Echinococcus multilocularis neurogenic locus notch protein 4 0.0067 0.0021 0.0021
Echinococcus multilocularis protein jagged 1 0.0067 0.0021 0.0021
Brugia malayi EGF-like domain containing protein 0.0067 0.0021 0.0041
Loa Loa (eye worm) hypothetical protein 0.0469 0.4158 0.8615
Echinococcus multilocularis fibropellin Ia 0.0067 0.0021 0.0021
Toxoplasma gondii calcium binding egf domain-containing protein 0.0176 0.1138 1
Schistosoma mansoni slit 0.0067 0.0021 0.0021
Loa Loa (eye worm) fibronectin type III domain-containing protein 0.0095 0.031 0.0642
Echinococcus multilocularis fat cadherin tumor suppressor 0.0067 0.0021 0.0021
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0095 0.031 0.031
Plasmodium falciparum cysteine repeat modular protein 1 0.0073 0.0083 0.5
Schistosoma mansoni septate junction protein 0.0067 0.0021 0.0021
Schistosoma mansoni laminin gamma-3 chain 0.0067 0.0021 0.0021
Loa Loa (eye worm) hypothetical protein 0.0067 0.0021 0.0043
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0065 0 0.5
Brugia malayi EGF-like domain containing protein 0.0067 0.0021 0.0041
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0095 0.031 0.031
Schistosoma mansoni hypothetical protein 0.0067 0.0021 0.0021
Brugia malayi Calcium binding EGF domain containing protein 0.0067 0.0021 0.0041
Toxoplasma gondii calcium binding egf domain-containing protein 0.0176 0.1138 1
Onchocerca volvulus 0.0067 0.0021 0.0047
Schistosoma mansoni hypothetical protein 0.0067 0.0021 0.0021
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0084 0.0194 0.0194
Brugia malayi Kringle domain containing protein 0.0073 0.0083 0.0162
Echinococcus granulosus delta-like protein 1 0.0067 0.0021 0.0021
Loa Loa (eye worm) TK/ROR protein kinase 0.0078 0.0138 0.0285
Loa Loa (eye worm) hypothetical protein 0.0067 0.0021 0.0043
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0084 0.0194 0.0377
Echinococcus multilocularis laminin 0.0176 0.1138 0.1138
Schistosoma mansoni hypothetical protein 0.0067 0.0021 0.0021
Loa Loa (eye worm) hypothetical protein 0.0073 0.0083 0.0172
Echinococcus granulosus laminin 0.0176 0.1138 0.1138
Schistosoma mansoni hypothetical protein 0.0067 0.0021 0.0021
Brugia malayi EGF-like domain containing protein 0.0067 0.0021 0.0041
Loa Loa (eye worm) multiple epidermal growth factor-like domains 6 0.0176 0.1138 0.2359
Echinococcus multilocularis neurogenic locus notch protein 0.0067 0.0021 0.0021
Loa Loa (eye worm) low-density lipoprotein receptor repeat class B containing protein 0.0176 0.1138 0.2359
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0095 0.031 0.031
Loa Loa (eye worm) hypothetical protein 0.0067 0.0021 0.0043
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.0176 0.1138 0.2217
Schistosoma mansoni notch 0.0067 0.0021 0.0021
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.1037 1 1
Echinococcus multilocularis tissue type plasminogen activator 0.0073 0.0083 0.0083
Echinococcus granulosus tissue type plasminogen activator 0.0073 0.0083 0.0083
Schistosoma mansoni notch 0.0067 0.0021 0.0021
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0095 0.031 0.0316
Onchocerca volvulus Slit protein homolog 0.0067 0.0021 0.0047
Brugia malayi Protein kinase domain containing protein 0.0078 0.0138 0.0268
Schistosoma mansoni protein tyrosine phosphatase 0.0095 0.031 0.0316
Echinococcus granulosus neurogenic locus notch protein 4 0.0067 0.0021 0.0021
Loa Loa (eye worm) hypothetical protein 0.0176 0.1138 0.2359
Loa Loa (eye worm) hypothetical protein 0.0534 0.4827 1
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0095 0.031 0.031
Loa Loa (eye worm) hypothetical protein 0.0067 0.0021 0.0043
Onchocerca volvulus Neurogenic locus notch protein homolog 0.0067 0.0021 0.0047
Brugia malayi EGF-like domain containing protein 0.0067 0.0021 0.0041
Loa Loa (eye worm) hypothetical protein 0.0176 0.1138 0.2359
Loa Loa (eye worm) hypothetical protein 0.0469 0.4158 0.8615
Echinococcus granulosus slit 2 protein 0.0067 0.0021 0.0021
Echinococcus multilocularis fibrillin 1 0.0176 0.1138 0.1138
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0065 0 0.5
Echinococcus multilocularis protein jagged 2 0.0067 0.0021 0.0021
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0095 0.031 0.031
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0084 0.0194 0.0194
Brugia malayi Calcium binding EGF domain containing protein 0.0067 0.0021 0.0041
Loa Loa (eye worm) hypothetical protein 0.0469 0.4158 0.8615
Schistosoma mansoni hypothetical protein 0.0067 0.0021 0.0021
Echinococcus multilocularis neurogenic locus protein delta 0.0067 0.0021 0.0021
Schistosoma mansoni notch 0.0067 0.0021 0.0021
Echinococcus granulosus protein jagged 1 0.0067 0.0021 0.0021
Brugia malayi Delta serrate ligand family protein 0.0067 0.0021 0.0041
Loa Loa (eye worm) hypothetical protein 0.0067 0.0021 0.0043
Schistosoma mansoni notch 0.0067 0.0021 0.0021
Loa Loa (eye worm) hypothetical protein 0.0067 0.0021 0.0043
Schistosoma mansoni egf-like domain protein 0.0176 0.1138 0.116
Loa Loa (eye worm) hypothetical protein 0.0176 0.1138 0.2359
Loa Loa (eye worm) hypothetical protein 0.0067 0.0021 0.0043
Echinococcus multilocularis receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type 0.0572 0.5214 0.5214
Schistosoma mansoni hypothetical protein 0.0067 0.0021 0.0021
Trichomonas vaginalis pten, drome, putative 0.0065 0 0.5
Onchocerca volvulus 0.0067 0.0021 0.0047
Echinococcus granulosus protein jagged 1 0.0067 0.0021 0.0021
Loa Loa (eye worm) hypothetical protein 0.0067 0.0021 0.0043
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0084 0.0194 0.0194
Loa Loa (eye worm) hypothetical protein 0.0176 0.1138 0.2359
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0421 0.3661 0.7128
Schistosoma mansoni subfamily M12A unassigned peptidase (M12 family) 0.0176 0.1138 0.116
Echinococcus granulosus neurogenic locus notch protein 0.0067 0.0021 0.0021
Onchocerca volvulus 0.0067 0.0021 0.0047
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0095 0.031 0.031
Brugia malayi Fibulin-1 precursor 0.0176 0.1138 0.2217
Schistosoma mansoni receptor protein tyrosine phosphatase 0.0095 0.031 0.0316
Schistosoma mansoni Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)] 0.0067 0.0021 0.0021
Brugia malayi Muscle positioning protein 4 0.0067 0.0021 0.0041
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.0421 0.3661 0.3732
Giardia lamblia High cysteine protein 0.0067 0.0021 1
Leishmania major hypothetical protein, conserved 0.0073 0.0083 1
Loa Loa (eye worm) Notch2 0.0067 0.0021 0.0043
Loa Loa (eye worm) hypothetical protein 0.0067 0.0021 0.0043
Echinococcus granulosus notch 0.0067 0.0021 0.0021
Onchocerca volvulus 0.0073 0.0083 0.0186
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0572 0.5214 0.5214
Onchocerca volvulus 0.0499 0.4468 1
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0095 0.031 0.0316
Schistosoma mansoni notch 0.0067 0.0021 0.0021
Loa Loa (eye worm) hypothetical protein 0.0067 0.0021 0.0043
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0602 0.5523 0.5523
Echinococcus granulosus neurogenic locus notch protein 0.0067 0.0021 0.0021
Echinococcus multilocularis notch 0.0067 0.0021 0.0021
Loa Loa (eye worm) hypothetical protein 0.0067 0.0021 0.0043
Schistosoma mansoni tyrosine kinase 0.1018 0.9811 1
Trypanosoma cruzi hypothetical protein, conserved 0.0073 0.0083 1
Onchocerca volvulus 0.0067 0.0021 0.0047
Brugia malayi Cadherin domain containing protein 0.0067 0.0021 0.0041
Echinococcus multilocularis receptor type tyrosine protein phosphatase zeta 0.0095 0.031 0.031
Echinococcus granulosus receptor type tyrosine protein phosphatase zeta 0.0095 0.031 0.031
Schistosoma mansoni hypothetical protein 0.0073 0.0083 0.0085
Echinococcus granulosus neurogenic locus protein delta 0.0067 0.0021 0.0021
Loa Loa (eye worm) hypothetical protein 0.0067 0.0021 0.0043
Loa Loa (eye worm) hypothetical protein 0.0067 0.0021 0.0043
Loa Loa (eye worm) hypothetical protein 0.0067 0.0021 0.0043
Loa Loa (eye worm) hypothetical protein 0.0067 0.0021 0.0043
Loa Loa (eye worm) hypothetical protein 0.0067 0.0021 0.0043

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.362 uM Inhibition of 30 nM 2-MeSADP stimulation of 2PY1-mediated phospholipase C (PLC) activity in Turkey erythocyte ghosts ChEMBL. 10715151
Max increase (functional) = 6 % In vitro stimulation of 2PY1 purinoceptor mediated phospholipase C (PLC) activity in Turkey Erythrocyte Ghosts ChEMBL. 10715151
Max inhibition (functional) = 94 % Inhibition of 30 nM 2-MeSADP stimulation of 2PY1-mediated phospholipase C (PLC) activity in Turkey erythocyte ghosts ChEMBL. 10715151

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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