Detailed information for compound 1578637

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 454.479 | Formula: C22H26N6O5
  • H donors: 5 H acceptors: 5 LogP: 1.45 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=O)C[C@@H](C(=O)NNC(=O)c1nc(C)c2c(c1)c1ccccc1[nH]2)NC(=O)OC(C)(C)C
  • InChi: 1S/C22H26N6O5/c1-11-18-13(12-7-5-6-8-14(12)25-18)9-15(24-11)19(30)27-28-20(31)16(10-17(23)29)26-21(32)33-22(2,3)4/h5-9,16,25H,10H2,1-4H3,(H2,23,29)(H,26,32)(H,27,30)(H,28,31)/t16-/m0/s1
  • InChiKey: XXVJHSBPEYSFAP-INIZCTEOSA-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) hypothetical protein 0.0135 0.0996 0.0996
Trypanosoma brucei calpain-like protein, putative 0.0046 0 0.5
Schistosoma mansoni ceramide glucosyltransferase 0.0413 0.4137 0.4498
Loa Loa (eye worm) glutamate receptor 0.0759 0.8025 0.8025
Echinococcus granulosus calpain A 0.0128 0.0922 0.0922
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.0046 0 0.5
Loa Loa (eye worm) metabotropic glutamate receptor 8 0.0071 0.0283 0.0283
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0128 0.0922 0.1002
Brugia malayi Animal haem peroxidase family protein 0.0135 0.0996 0.124
Schistosoma mansoni hypothetical protein 0.0123 0.0867 0.0942
Loa Loa (eye worm) animal heme peroxidase 0.0135 0.0996 0.0996
Onchocerca volvulus Poor gastrulation protein homolog 0.0123 0.0867 0.1514
Onchocerca volvulus 0.0076 0.0339 0.0144
Echinococcus multilocularis ceramide glucosyltransferase 0.0413 0.4137 0.4137
Onchocerca volvulus Metabotropic glutamate receptor homolog 0.0123 0.0867 0.1514
Echinococcus granulosus cathepsin b 0.0109 0.0707 0.0707
Loa Loa (eye worm) hypothetical protein 0.0135 0.0996 0.0996
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0071 0.0283 0.0283
Echinococcus multilocularis glutamate receptor 2 0.0071 0.0283 0.0283
Brugia malayi Receptor family ligand binding region containing protein 0.0071 0.0283 0.0353
Loa Loa (eye worm) hypothetical protein 0.0135 0.0996 0.0996
Onchocerca volvulus Peroxidase homolog 0.0135 0.0996 0.1849
Loa Loa (eye worm) calpain family protein 1 0.0122 0.0859 0.0859
Loa Loa (eye worm) hypothetical protein 0.0135 0.0996 0.0996
Loa Loa (eye worm) hypothetical protein 0.0109 0.0707 0.0707
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0128 0.0922 0.1002
Onchocerca volvulus Chorion peroxidase homolog 0.0135 0.0996 0.1849
Echinococcus granulosus glutamate receptor 2 0.0071 0.0283 0.0283
Loa Loa (eye worm) hypothetical protein 0.0135 0.0996 0.0996
Loa Loa (eye worm) ceramide glucosyltransferase 0.0413 0.4137 0.4137
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0636 0.6638 0.6638
Loa Loa (eye worm) hypothetical protein 0.0135 0.0996 0.0996
Loa Loa (eye worm) hypothetical protein 0.0135 0.0996 0.0996
Loa Loa (eye worm) hypothetical protein 0.0071 0.0283 0.0283
Schistosoma mansoni glutamate receptor NMDA 0.0071 0.0283 0.0308
Echinococcus multilocularis GPCR, family 3, C terminal 0.0123 0.0867 0.0867
Brugia malayi Guanylyl cyclase protein 23 0.0071 0.0283 0.0353
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0109 0.0707 1
Plasmodium vivax calpain, putative 0.0046 0 0.5
Echinococcus granulosus glutamate receptor 2 0.0071 0.0283 0.0283
Brugia malayi Animal haem peroxidase family protein 0.0135 0.0996 0.124
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0123 0.0867 0.108
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0194 0.167 0.167
Loa Loa (eye worm) hypothetical protein 0.0122 0.0859 0.0859
Brugia malayi metabotropic glutamate receptor type 2 0.037 0.3645 0.4542
Onchocerca volvulus Ceramide glucosyltransferase homolog 0.0413 0.4137 1
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0863 0.9196 1
Brugia malayi Peroxidasin 0.0135 0.0996 0.124
Trypanosoma brucei calpain-like protein, putative 0.0046 0 0.5
Echinococcus multilocularis atrial natriuretic peptide receptor 0.0071 0.0283 0.0283
Trypanosoma brucei antigen, putative 0.0046 0 0.5
Brugia malayi hypothetical protein 0.0135 0.0996 0.124
Loa Loa (eye worm) hypothetical protein 0.009 0.0495 0.0495
Onchocerca volvulus Peroxidase homolog 0.0135 0.0996 0.1849
Schistosoma mansoni tyrosine kinase 0.0071 0.0283 0.0308
Schistosoma mansoni peroxidasin 0.0135 0.0996 0.1082
Loa Loa (eye worm) glutamate receptor 0.0298 0.2841 0.2841
Schistosoma mansoni peroxidasin 0.0135 0.0996 0.1082
Brugia malayi calpain family protein 1 0.0122 0.0859 0.1071
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0128 0.0922 0.0922
Loa Loa (eye worm) hypothetical protein 0.0109 0.0703 0.0703
Loa Loa (eye worm) RGC/RGC protein kinase 0.0071 0.0283 0.0283
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0109 0.0707 0.0768
Echinococcus granulosus nmda type glutamate receptor 0.0071 0.0283 0.0283
Onchocerca volvulus 0.0135 0.0996 0.1849
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0071 0.0283 0.0283
Onchocerca volvulus 0.0135 0.0996 0.1849
Loa Loa (eye worm) hypothetical protein 0.0076 0.0339 0.0339
Loa Loa (eye worm) animal heme peroxidase 0.0135 0.0996 0.0996
Trypanosoma brucei calpain-like protein, putative 0.0046 0 0.5
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0934 1 1
Loa Loa (eye worm) hypothetical protein 0.0135 0.0996 0.0996
Echinococcus granulosus peroxidasin 0.0135 0.0996 0.0996
Echinococcus multilocularis cathepsin b 0.0109 0.0707 0.0707
Loa Loa (eye worm) hypothetical protein 0.0071 0.0283 0.0283
Echinococcus multilocularis cathepsin b 0.0109 0.0707 0.0707
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0109 0.0707 0.0768
Echinococcus multilocularis peroxidasin 0.0135 0.0996 0.0996
Loa Loa (eye worm) animal heme peroxidase 0.0135 0.0996 0.0996
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0194 0.167 0.167
Brugia malayi calpain family protein 1 0.0122 0.0859 0.1071
Schistosoma mansoni ceramide glucosyltransferase 0.0413 0.4137 0.4498
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0046 0 0.5
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0122 0.0859 0.0934
Loa Loa (eye worm) animal heme peroxidase 0.0135 0.0996 0.0996
Echinococcus granulosus GPCR family 3 C terminal 0.0123 0.0867 0.0867
Leishmania major extracellular receptor, putative 0.0071 0.0283 1
Loa Loa (eye worm) hypothetical protein 0.0135 0.0996 0.0996
Loa Loa (eye worm) blistered cuticle protein 3 0.0135 0.0996 0.0996
Onchocerca volvulus Peroxidasin homolog 0.0135 0.0996 0.1849
Echinococcus multilocularis tyrosine kinase 0.0071 0.0283 0.0283
Loa Loa (eye worm) hypothetical protein 0.0071 0.0283 0.0283
Loa Loa (eye worm) hypothetical protein 0.0071 0.0283 0.0283
Brugia malayi hypothetical protein 0.0071 0.0283 0.0353
Loa Loa (eye worm) hypothetical protein 0.0135 0.0996 0.0996
Trypanosoma brucei calpain-like protein, putative 0.0046 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0135 0.0996 0.0996
Loa Loa (eye worm) hypothetical protein 0.0071 0.0283 0.0283
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0071 0.0283 0.0353
Brugia malayi Animal haem peroxidase family protein 0.0135 0.0996 0.124
Echinococcus granulosus atrial natriuretic peptide receptor 0.0071 0.0283 0.0283
Loa Loa (eye worm) RGC/RGC protein kinase 0.0071 0.0283 0.0283
Loa Loa (eye worm) RGC/RGC protein kinase 0.0071 0.0283 0.0283
Echinococcus multilocularis nmda type glutamate receptor 0.0071 0.0283 0.0283
Brugia malayi Animal haem peroxidase family protein 0.0135 0.0996 0.124
Schistosoma mansoni protein kinase 0.0071 0.0283 0.0308
Loa Loa (eye worm) hypothetical protein 0.0071 0.0283 0.0283
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0109 0.0707 0.0768
Loa Loa (eye worm) hypothetical protein 0.0194 0.167 0.167
Loa Loa (eye worm) hypothetical protein 0.0135 0.0996 0.0996
Loa Loa (eye worm) hypothetical protein 0.0934 1 1
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0071 0.0283 0.0283
Loa Loa (eye worm) hypothetical protein 0.0135 0.0996 0.0996
Brugia malayi Metabotropic glutamate receptor precursor. 0.0759 0.8025 1
Loa Loa (eye worm) calpain family protein 1 0.009 0.0495 0.0495
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0687 0.7222 0.8999
Onchocerca volvulus 0.0135 0.0996 0.1849
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0071 0.0283 0.0283
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0109 0.0707 0.0768
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0071 0.0283 0.0283
Echinococcus granulosus metabotropic glutamate receptor 2 0.0636 0.6638 0.6638
Entamoeba histolytica hypothetical protein 0.0071 0.0283 0.5
Echinococcus granulosus tyrosine kinase 0.0071 0.0283 0.0283
Echinococcus granulosus cathepsin b 0.0109 0.0707 0.0707
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0071 0.0283 0.0283
Brugia malayi cathepsin B-like cysteine proteinase 0.0109 0.0707 0.0881
Echinococcus multilocularis receptor type guanylyl cyclase 0.0071 0.0283 0.0283
Loa Loa (eye worm) hypothetical protein 0.0123 0.0867 0.0867
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0071 0.0283 0.0283
Loa Loa (eye worm) hypothetical protein 0.0071 0.0283 0.0283
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0071 0.0283 0.0283
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0128 0.0922 0.0922
Schistosoma mansoni metabotropic glutamate receptor 0.037 0.3645 0.3963
Giardia lamblia Ceramide glucosyltransferase 0.0187 0.1591 0.5
Echinococcus granulosus receptor type guanylyl cyclase 0.0071 0.0283 0.0283
Onchocerca volvulus Dual oxidase homolog 0.0135 0.0996 0.1849
Echinococcus multilocularis glutamate receptor 2 0.0071 0.0283 0.0283
Brugia malayi Receptor family ligand binding region containing protein 0.0194 0.167 0.2081
Schistosoma mansoni metabotropic glutamate receptor 0.0636 0.6638 0.7218
Echinococcus multilocularis calpain family protein 1, d 0.009 0.0495 0.0495
Loa Loa (eye worm) hypothetical protein 0.0135 0.0996 0.0996
Onchocerca volvulus Peroxidasin homolog 0.0135 0.0996 0.1849
Trypanosoma cruzi extracellular receptor, putative 0.0071 0.0283 0.4007
Echinococcus granulosus ceramide glucosyltransferase 0.0413 0.4137 0.4137
Brugia malayi Blistered cuticle protein 3 0.0135 0.0996 0.124
Echinococcus multilocularis calpain A 0.0128 0.0922 0.0922
Brugia malayi Animal haem peroxidase family protein 0.0135 0.0996 0.124
Schistosoma mansoni tyrosine kinase 0.0071 0.0283 0.0308
Brugia malayi Ceramide glucosyltransferase 0.0413 0.4137 0.5155

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.

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