Detailed information for compound 208830

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 342.284 | Formula: C14H19N2O6P
  • H donors: 3 H acceptors: 5 LogP: 0.56 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)[C@@H]1CCCN1C(=O)[C@@H](NP(=O)(Oc1ccccc1)O)C
  • InChi: 1S/C14H19N2O6P/c1-10(13(17)16-9-5-8-12(16)14(18)19)15-23(20,21)22-11-6-3-2-4-7-11/h2-4,6-7,10,12H,5,8-9H2,1H3,(H,18,19)(H2,15,20,21)/t10-,12-/m0/s1
  • InChiKey: GNGBFOBTYAQKJQ-JQWIXIFHSA-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 renin Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) Get druggable targets OG5_126885 All targets in OG5_126885
Plasmodium yoelii plasmepsin Get druggable targets OG5_126885 All targets in OG5_126885
Theileria parva pepsinogen, putative Get druggable targets OG5_126885 All targets in OG5_126885
Schistosoma mansoni cathepsin D (A01 family) Get druggable targets OG5_126885 All targets in OG5_126885
Candida albicans vacuolar aspartic proteinase precursor similar to S. cerevisiae PEP4 (YPL154C) Get druggable targets OG5_126885 All targets in OG5_126885
Schistosoma japonicum ko:K01379 cathepsin D [EC3.4.23.5], putative Get druggable targets OG5_126885 All targets in OG5_126885
Plasmodium falciparum plasmepsin VI Get druggable targets OG5_126885 All targets in OG5_126885
Theileria parva cathepsin E, putative Get druggable targets OG5_126885 All targets in OG5_126885
Plasmodium vivax plasmepsin IV, putative Get druggable targets OG5_126885 All targets in OG5_126885
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) Get druggable targets OG5_126885 All targets in OG5_126885
Plasmodium knowlesi aspartyl protease, putative Get druggable targets OG5_126885 All targets in OG5_126885
Cryptosporidium parvum membrane bound aspartyl proteinase with a signal peptide plus transmembrane domain Get druggable targets OG5_126885 All targets in OG5_126885
Plasmodium falciparum plasmepsin I Get druggable targets OG5_126885 All targets in OG5_126885
Schistosoma japonicum Cathepsin D precursor, putative Get druggable targets OG5_126885 All targets in OG5_126885
Schistosoma mansoni cathepsin D (A01 family) Get druggable targets OG5_126885 All targets in OG5_126885
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase Get druggable targets OG5_126885 All targets in OG5_126885
Plasmodium berghei plasmepsin IV Get druggable targets OG5_126885 All targets in OG5_126885
Plasmodium berghei plasmepsin VI Get druggable targets OG5_126885 All targets in OG5_126885
Plasmodium yoelii hypothetical protein Get druggable targets OG5_126885 All targets in OG5_126885
Plasmodium falciparum plasmepsin IV Get druggable targets OG5_126885 All targets in OG5_126885
Toxoplasma gondii aspartyl protease ASP1 Get druggable targets OG5_126885 All targets in OG5_126885
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126885 All targets in OG5_126885
Neospora caninum Renin, related Get druggable targets OG5_126885 All targets in OG5_126885
Plasmodium vivax aspartyl proteinase, putative Get druggable targets OG5_126885 All targets in OG5_126885
Plasmodium falciparum plasmepsin II Get druggable targets OG5_126885 All targets in OG5_126885
Neospora caninum Pepsinogen A1, related Get druggable targets OG5_126885 All targets in OG5_126885
Loa Loa (eye worm) aspartic protease BmAsp-2 Get druggable targets OG5_126885 All targets in OG5_126885
Babesia bovis eukaryotic aspartyl protease family protein Get druggable targets OG5_126885 All targets in OG5_126885
Cryptosporidium hominis aspartyl protease precursor Get druggable targets OG5_126885 All targets in OG5_126885
Plasmodium knowlesi plasmepsin IV, putative Get druggable targets OG5_126885 All targets in OG5_126885
Echinococcus granulosus cathepsin d lysosomal aspartyl protease Get druggable targets OG5_126885 All targets in OG5_126885
Toxoplasma gondii aspartyl proteinase (eimepsin), putative Get druggable targets OG5_126885 All targets in OG5_126885
Plasmodium yoelii hypothetical protein Get druggable targets OG5_126885 All targets in OG5_126885
Candida albicans vacuolar aspartic proteinase precursor similar to S. cerevisiae PEP4 (YPL154C) Get druggable targets OG5_126885 All targets in OG5_126885

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum plasmepsin X renin 406 aa 352 aa 26.4 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Giardia lamblia Aldose reductase 0.2333 1 0.5
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.2333 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.2333 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.2333 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.2333 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.2333 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.2333 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.2333 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.2333 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.2333 1 1
Loa Loa (eye worm) oxidoreductase 0.2333 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.2333 1 1
Leishmania major aldo-keto reductase-like protein 0.2333 1 1
Loa Loa (eye worm) oxidoreductase 0.2333 1 1
Toxoplasma gondii aldose reductase, putative 0.2333 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.2333 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.2333 1 1
Echinococcus granulosus hypothetical protein 0.2333 1 1
Entamoeba histolytica aldose reductase, putative 0.2333 1 1
Entamoeba histolytica aldose reductase, putative 0.2333 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.2333 1 1
Entamoeba histolytica aldose reductase, putative 0.2333 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.2333 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.2333 1 1
Echinococcus granulosus aldo keto reductase 0.2333 1 1
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.2333 1 1
Schistosoma mansoni pol-related 0.2333 1 1
Echinococcus granulosus aldo keto reductase 0.2333 1 1
Echinococcus granulosus aldehyde reductase 0.1657 0.687 0.5922
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.2333 1 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.2333 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.2333 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.2333 1 1
Schistosoma mansoni aldo-keto reductase 0.2333 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.2333 1 1
Loa Loa (eye worm) oxidoreductase 0.2333 1 1
Echinococcus multilocularis aldehyde reductase 0.1657 0.687 0.5922
Schistosoma mansoni aldo-keto reductase 0.2333 1 1
Echinococcus multilocularis aldo keto reductase 0.2333 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.2333 1 1
Echinococcus granulosus aldo keto reductase 0.2333 1 1
Onchocerca volvulus 0.2333 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.2333 1 1
Onchocerca volvulus 0.2333 1 1
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.2333 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.2333 1 1
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.2333 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.2333 1 1
Trypanosoma cruzi aldo/keto reductase, putative 0.2333 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.2333 1 1
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0676 0.2324 0.5
Loa Loa (eye worm) oxidoreductase 0.2333 1 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.2333 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.2333 1 1
Echinococcus multilocularis aldo keto reductase 0.2333 1 1
Leishmania major prostaglandin f synthase, putative 0.2333 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.2333 1 1
Onchocerca volvulus 0.2333 1 1
Plasmodium falciparum aldehyde reductase, putative 0.0676 0.2324 0.5
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.2333 1 1
Loa Loa (eye worm) oxidoreductase 0.2333 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.2333 1 1
Plasmodium vivax aldehyde reductase, putative 0.0676 0.2324 0.5
Echinococcus granulosus aldo keto reductase family 1 member B4 0.2333 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.2333 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.2333 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.2333 1 1
Onchocerca volvulus 0.2333 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.2333 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.2333 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.2333 1 1
Trypanosoma cruzi aldo-keto reductase 0.2333 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.2333 1 1
Trypanosoma brucei aldo-keto reductase, putative 0.2333 1 1
Mycobacterium leprae Conserved hypothetical protein 0.1657 0.687 0.5922
Mycobacterium ulcerans oxidoreductase 0.2333 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.2333 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.2333 1 1
Onchocerca volvulus 0.2333 1 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.2333 1 1
Giardia lamblia Aldose reductase 0.2333 1 0.5
Trypanosoma brucei prostaglandin f synthase 0.2333 1 1
Onchocerca volvulus 0.2333 1 1
Schistosoma mansoni potassium channel beta 0.0676 0.2324 0.2324
Loa Loa (eye worm) hypothetical protein 0.2333 1 1
Plasmodium falciparum aldo-keto reductase, putative 0.0676 0.2324 0.5
Echinococcus multilocularis aldo keto reductase 0.2333 1 1
Echinococcus multilocularis aldo keto reductase 0.2333 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.2333 1 1

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 0.001 uM Antihypertensive activity against human renin ChEMBL. 6267277
Ki (binding) = 0.001 uM Antihypertensive activity against human renin ChEMBL. 6267277

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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