Detailed information for compound 1556809

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 435.433 | Formula: C22H21N5O5
  • H donors: 4 H acceptors: 5 LogP: 1.57 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCC1(NC(=O)OCc2ccccc2)NC(=O)c2c(NC1=O)n(cn2)Cc1ccccc1
  • InChi: 1S/C22H21N5O5/c28-13-22(26-21(31)32-12-16-9-5-2-6-10-16)20(30)24-18-17(19(29)25-22)23-14-27(18)11-15-7-3-1-4-8-15/h1-10,14,28H,11-13H2,(H,24,30)(H,25,29)(H,26,31)
  • InChiKey: ABRNNPZUOFSDJX-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens guanine deaminase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania mexicana guanine deaminase, putative Get druggable targets OG5_127281 All targets in OG5_127281
Leishmania major guanine deaminase, putative Get druggable targets OG5_127281 All targets in OG5_127281
Trypanosoma brucei guanine deaminase, putative Get druggable targets OG5_127281 All targets in OG5_127281
Trypanosoma brucei guanine deaminase, putative Get druggable targets OG5_127281 All targets in OG5_127281
Entamoeba histolytica guanine deaminase, putative Get druggable targets OG5_127281 All targets in OG5_127281
Candida albicans putative guanine deaminase Get druggable targets OG5_127281 All targets in OG5_127281
Trichomonas vaginalis protein ssnA, putative Get druggable targets OG5_127281 All targets in OG5_127281
Mycobacterium ulcerans hydroxydechloroatrazine ethylaminohydrolase Get druggable targets OG5_127281 All targets in OG5_127281
Trichomonas vaginalis guanine deaminase, putative Get druggable targets OG5_127281 All targets in OG5_127281
Trypanosoma cruzi guanine deaminase, putative Get druggable targets OG5_127281 All targets in OG5_127281
Trichomonas vaginalis protein ssnA, putative Get druggable targets OG5_127281 All targets in OG5_127281
Leishmania infantum guanine deaminase, putative Get druggable targets OG5_127281 All targets in OG5_127281
Candida albicans hypothetical protein Get druggable targets OG5_127281 All targets in OG5_127281
Leishmania braziliensis guanine deaminase, putative Get druggable targets OG5_127281 All targets in OG5_127281
Trypanosoma brucei gambiense guanine deaminase, putative,guanase, putative Get druggable targets OG5_127281 All targets in OG5_127281
Trypanosoma cruzi guanine deaminase, putative Get druggable targets OG5_127281 All targets in OG5_127281
Leishmania donovani guanine deaminase, putative Get druggable targets OG5_127281 All targets in OG5_127281

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
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.257 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.257 1
Mycobacterium ulcerans hydroxydechloroatrazine ethylaminohydrolase 0.0157 1 1
Schistosoma mansoni hypothetical protein 0.0023 0.0994 0.3868
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.257 1
Schistosoma mansoni dihydropyrimidinase related protein-1 (M38 family) 0.0023 0.0994 0.3868
Mycobacterium ulcerans n-acetylglucosamine-6-phosphate deacetylase NagA 0.0023 0.0994 0.0994
Mycobacterium tuberculosis Conserved protein 0.0023 0.0994 1
Mycobacterium ulcerans urease subunit alpha 0.0023 0.0994 0.0994
Mycobacterium leprae Probable dihydroorotase PyrC (DHOase) 0.0023 0.0994 1
Mycobacterium tuberculosis Urease alpha subunit UreC (urea amidohydrolase) 0.0023 0.0994 1
Mycobacterium ulcerans hypothetical protein 0.0023 0.0994 0.0994
Schistosoma mansoni aspartate carbamoyltransferase 0.0023 0.0994 0.3868
Trichomonas vaginalis protein ssnA, putative 0.0157 1 1
Trichomonas vaginalis hypothetical protein 0.0023 0.0994 0.0994
Trichomonas vaginalis guanine deaminase, putative 0.0157 1 1
Leishmania major guanine deaminase, putative 0.0157 1 1
Echinococcus granulosus dihydropyrimidinase 2 0.0023 0.0994 0.3868
Treponema pallidum bacterioferrin (TpF1) 0.0008 0 0.5
Trypanosoma cruzi guanine deaminase, putative 0.0157 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.257 1
Plasmodium vivax dihydroorotase, putative 0.0023 0.0994 0.5
Trichomonas vaginalis protein ssnA, putative 0.0157 1 1
Trypanosoma cruzi guanine deaminase, putative 0.0157 1 1
Echinococcus multilocularis dihydropyrimidinase protein 4 0.0023 0.0994 0.3868
Trichomonas vaginalis D-aminoacylase, putative 0.0023 0.0994 0.0994
Loa Loa (eye worm) transcription factor SMAD2 0.0115 0.7209 1
Wolbachia endosymbiont of Brugia malayi dihydroorotase, PyrC 0.0023 0.0994 1
Brugia malayi MH2 domain containing protein 0.0115 0.7209 1
Schistosoma mansoni dihydropyrimidinase (M38 family) 0.0023 0.0994 0.3868
Schistosoma mansoni hypothetical protein 0.0023 0.0994 0.3868
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.257 0.2536
Echinococcus multilocularis imidazolonepropionase 0.0023 0.0994 0.3868
Echinococcus multilocularis dihydropyrimidinase 0.0023 0.0994 0.3868
Schistosoma mansoni dihydropyrimidinase related protein-2 (M38 family) 0.0023 0.0994 0.3868
Trypanosoma brucei guanine deaminase, putative 0.0157 1 1
Schistosoma mansoni dihydropyrimidinase (M38 family) 0.0023 0.0994 0.3868
Echinococcus granulosus dihydropyrimidinase 0.0023 0.0994 0.3868
Echinococcus granulosus imidazolonepropionase 0.0023 0.0994 0.3868
Mycobacterium ulcerans dihydroorotase 0.0023 0.0994 0.0994
Loa Loa (eye worm) MH2 domain-containing protein 0.0115 0.7209 1
Trichomonas vaginalis aminohydrolase, putative 0.0023 0.0994 0.0994
Mycobacterium ulcerans imidazolonepropionase 0.0023 0.0994 0.0994
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.257 0.2536
Echinococcus multilocularis dihydropyrimidinase 2 0.0023 0.0994 0.3868
Echinococcus granulosus dihydropyrimidinase protein 4 0.0023 0.0994 0.3868
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.257 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.257 1
Trypanosoma brucei guanine deaminase, putative 0.0157 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.257 1

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 16.7 10'-6M Competitive inhibition of guanase by Lineweaver-Burk plot analysis ChEMBL. 21183343

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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