Detailed information for compound 1846109

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 431.295 | Formula: C14H18N5O9P
  • H donors: 2 H acceptors: 5 LogP: -2.68 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)OCOP1(=O)OC[C@H]2[C@@H](O1)[C@@H](O)[C@@H](O2)n1cnc2c1nc(N)n(c2=O)C
  • InChi: 1S/C14H18N5O9P/c1-6(20)24-5-26-29(23)25-3-7-10(28-29)9(21)13(27-7)19-4-16-8-11(19)17-14(15)18(2)12(8)22/h4,7,9-10,13,21H,3,5H2,1-2H3,(H2,15,17)/t7-,9+,10+,13+,29?/m0/s1
  • InChiKey: BQIUNRYSUCSQOF-XOFBOKMFSA-N  

Network

Hover on a compound node to display the structore

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
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0105 1 1
Schistosoma mansoni ATP-binding cassette transporter 0.0052 0.329 0.0575
Echinococcus multilocularis 1 acyl sn glycerol 3 phosphate acyltransferase 0.0073 0.5954 0.4771
Schistosoma mansoni 1-acyl-sn-glycerol-3-phosphate o-acyltransferase 0.0073 0.5954 0.6844
Schistosoma mansoni glutamate receptor AMPA 0.0052 0.329 0.0575
Echinococcus multilocularis glutamate receptor subunit protein glur 0.0063 0.467 0.311
Mycobacterium tuberculosis 1-acylglycerol-3-phosphate O-acyltransferase 0.0073 0.5954 1
Wolbachia endosymbiont of Brugia malayi 1-acyl-sn-glycerol-3-phosphate acyltransferase 0.0073 0.5954 0.5
Echinococcus multilocularis mitogen activated protein kinase 3 0.005 0.3046 0.1012
Trypanosoma brucei 1-acyl-sn-glycerol-3-phosphate acyltransferase, putative 0.0073 0.5954 1
Toxoplasma gondii acyltransferase domain-containing protein 0.0073 0.5954 1
Mycobacterium ulcerans 1-acylglycerol-3-phosphate O-acyltransferase 0.0073 0.5954 0.5
Echinococcus multilocularis mitogen activated protein kinase 0.005 0.3046 0.1012
Brugia malayi MAP kinase sur-1 0.005 0.3046 0.3474
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0051 0.3198 0.1209
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0094 0.8529 0.8098
Plasmodium vivax 1-acyl-sn-glycerol-3-phosphate acyltransferase, putative 0.0073 0.5954 0.5
Echinococcus granulosus glutamate NMDA receptor subunit 0.0052 0.329 0.1327
Loa Loa (eye worm) hypothetical protein 0.007 0.5578 0.6362
Loa Loa (eye worm) glutamate receptor 1 0.0096 0.8766 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0094 0.8529 0.8098
Brugia malayi Acyltransferase family protein 0.0073 0.5954 0.6792
Loa Loa (eye worm) hypothetical protein 0.0044 0.2263 0.2582
Trichomonas vaginalis CMGC family protein kinase 0.005 0.3046 0.5
Schistosoma mansoni transcription factor 0.007 0.5578 0.5958
Giardia lamblia Kinase, CMGC MAPK 0.005 0.3046 0.5
Treponema pallidum lysophosphatidic acid acyltransferase 0.0073 0.5954 0.5
Echinococcus granulosus mitogen activated protein kinase 0.005 0.3046 0.1012
Echinococcus granulosus Msx-like 0.007 0.5578 0.4284
Echinococcus granulosus glutamate receptor ionotropic kainate 3 0.0051 0.3198 0.1209
Leishmania major 1-acyl-sn-glycerol-3-phosphateacyltransferase-like protein, putative 0.0073 0.5954 1
Schistosoma mansoni glutamate receptor AMPA 0.0052 0.329 0.0575
Trichomonas vaginalis CMGC family protein kinase 0.005 0.3046 0.5
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.005 0.3046 0.3474
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0105 1 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0094 0.8529 0.8098
Trichomonas vaginalis CMGC family protein kinase 0.005 0.3046 0.5
Loa Loa (eye worm) hypothetical protein 0.0044 0.2263 0.2582
Loa Loa (eye worm) hypothetical protein 0.0073 0.5954 0.6792
Plasmodium falciparum 1-acyl-sn-glycerol-3-phosphate acyltransferase, putative 0.0073 0.5954 0.5
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0094 0.8529 0.8098
Schistosoma mansoni glutamate receptor kainate 0.0084 0.7295 1
Echinococcus multilocularis glutamate receptor ionotropic kainate 0.0051 0.3198 0.1209
Loa Loa (eye worm) glutamate receptor 2 0.0052 0.329 0.3753
Echinococcus multilocularis NMDA receptor 0.0051 0.3198 0.1209
Echinococcus multilocularis 1 acyl sn glycerol 3 phosphate acyltransferase 0.0073 0.5954 0.4771
Echinococcus multilocularis homeobox 0.007 0.5578 0.4284
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0094 0.8529 0.8098
Mycobacterium leprae POSSIBLE TRANSMEMBRANE PHOSPHOLIPID BIOSYNTHESIS BIFUNCTIONAL ENZYME PLSC: PUTATIVE L-3-PHOSPHOSERINE PHOSPHATASE (O-PHOSPHOSERI 0.0073 0.5954 0.5
Echinococcus granulosus 1 acyl sn glycerol 3 phosphate acyltransferase 0.0073 0.5954 0.4771
Loa Loa (eye worm) acyltransferase 0.0073 0.5954 0.6792
Trypanosoma cruzi 1-acyl-sn-glycerol-3-phosphate acyltransferase, putative 0.0073 0.5954 1
Brugia malayi Glutamate receptor 2 precursor 0.0096 0.8766 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.5954 0.6792
Echinococcus granulosus 1 acyl sn glycerol 3 phosphate acyltransferase 0.0073 0.5954 0.4771
Schistosoma mansoni glutamate receptor kainate 0.0084 0.7295 1
Toxoplasma gondii acyltransferase domain-containing protein 0.0073 0.5954 1
Echinococcus granulosus mitogen activated protein kinase 3 0.005 0.3046 0.1012
Echinococcus granulosus glutamate receptor subunit protein glur 0.0063 0.467 0.311
Echinococcus granulosus glutamate receptor 2 0.0086 0.7593 0.689
Echinococcus granulosus glutamate receptor ionotropic kainate 0.0051 0.3198 0.1209
Echinococcus multilocularis glutamate receptor 2 0.0105 1 1
Echinococcus multilocularis glutamate receptor 2 0.0086 0.7593 0.689
Brugia malayi Glutamate receptor 1 precursor 0.0096 0.8766 1
Trichomonas vaginalis CMGC family protein kinase 0.005 0.3046 0.5
Schistosoma mansoni glutamate receptor NMDA 0.0062 0.4524 0.3478
Schistosoma mansoni glutamate receptor kainate 0.0052 0.329 0.0575
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0052 0.329 0.1327
Echinococcus granulosus Phospholipid glycerol acyltransferase 0.0073 0.5954 0.4771
Echinococcus multilocularis Phospholipid glycerol acyltransferase 0.0073 0.5954 0.4771
Schistosoma mansoni glutamate receptor NMDA 0.0052 0.329 0.0575
Echinococcus multilocularis glutamate receptor 2 0.0096 0.8766 0.8405
Loa Loa (eye worm) hypothetical protein 0.0044 0.2263 0.2582
Mycobacterium ulcerans bifunctional transmembrane phospholipid biosynthesis enzyme PlsC 0.0073 0.5954 0.5
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0094 0.8529 0.8098
Chlamydia trachomatis glycerol-3-phosphate acyltransferase 0.0073 0.5954 0.5

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.
 
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

No literature references available for this target.

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