Detailed information for compound 1224994

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 350.409 | Formula: C18H26N2O5
  • H donors: 4 H acceptors: 5 LogP: -0.33 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(CC(C(=O)O)NC(=O)C(Cc1ccccc1)NCCC(=O)O)C
  • InChi: 1S/C18H26N2O5/c1-12(2)10-15(18(24)25)20-17(23)14(19-9-8-16(21)22)11-13-6-4-3-5-7-13/h3-7,12,14-15,19H,8-11H2,1-2H3,(H,20,23)(H,21,22)(H,24,25)
  • InChiKey: UVYVUYQSYUDFDH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus membrane metallo endopeptidase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Get druggable targets OG5_127344 All targets in OG5_127344
Toxoplasma gondii peptidase family M13 protein Get druggable targets OG5_127344 All targets in OG5_127344
Echinococcus granulosus endothelin converting enzyme 1 Get druggable targets OG5_127344 All targets in OG5_127344
Mycobacterium ulcerans zinc metalloprotease Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) peptidase family M13 containing protein Get druggable targets OG5_127344 All targets in OG5_127344
Neospora caninum hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Brugia malayi Peptidase family M13 containing protein Get druggable targets OG5_127344 All targets in OG5_127344
Schistosoma mansoni family M13 unassigned peptidase (M13 family) Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Echinococcus multilocularis endothelin converting enzyme 1 Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Mycobacterium leprae probable zinc metalloprotease Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Schistosoma japonicum IPR000718,Peptidase M13, neprilysin,domain-containing Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) peptidase family M13 containing protein Get druggable targets OG5_127344 All targets in OG5_127344
Mycobacterium tuberculosis Probable zinc metalloprotease Zmp1 Get druggable targets OG5_127344 All targets in OG5_127344
Schistosoma japonicum ko:K01415 endothelin-converting enzyme [EC3.4.24.71], putative Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Brugia malayi Hypothetical zinc metalloproteinase T16A9.4 Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
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
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0051 0.4279 0.3991
Schistosoma mansoni endothelin-converting enzyme-related 0.0028 0.2116 0.2116
Schistosoma mansoni cpg binding protein 0.0034 0.2697 0.2697
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0074 0.6383 0.6268
Loa Loa (eye worm) hypothetical protein 0.0086 0.7461 0.733
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 0.0074 0.6383 0.6268
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0245 0.5
Mycobacterium leprae probable zinc metalloprotease 0.0114 1 0.5
Trypanosoma brucei Voltage-dependent calcium channel subunit, putative 0.0026 0.1948 0.5
Loa Loa (eye worm) hypothetical protein 0.0056 0.4741 0.447
Toxoplasma gondii histone lysine methyltransferase SET1 0.0061 0.517 0.4207
Echinococcus granulosus voltage dependent calcium channel 0.0026 0.1948 0.169
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.003 0.2297 0.2297
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu 0.0074 0.6383 0.6268
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0245 0.5
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.049 0.0186
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0051 0.4279 0.3984
Loa Loa (eye worm) voltage-dependent calcium channel 0.0026 0.1948 0.1533
Schistosoma mansoni high voltage-activated calcium channel Cav2A 0.0074 0.6383 0.6383
Loa Loa (eye worm) hypothetical protein 0.0086 0.7461 0.733
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0245 0.5
Schistosoma mansoni cpg binding protein 0.0032 0.2529 0.2529
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0245 0.5
Schistosoma mansoni Nep2 peptidase (M13 family) 0.0058 0.4836 0.4836
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.4279 0.4096
Schistosoma mansoni hypothetical protein 0.003 0.2297 0.2297
Echinococcus multilocularis endothelin converting enzyme 1 0.0114 1 1
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0074 0.6383 0.6268
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0245 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0245 0.5
Echinococcus multilocularis voltage dependent calcium channel 0.0074 0.6383 0.6268
Schistosoma mansoni hypothetical protein 0.003 0.2297 0.2297
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.4279 0.4096
Onchocerca volvulus 0.0056 0.4741 1
Schistosoma mansoni hypothetical protein 0.003 0.2297 0.2297
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.4279 0.4096
Loa Loa (eye worm) hypothetical protein 0.0114 1 1
Loa Loa (eye worm) hypothetical protein 0.0086 0.7461 0.733
Schistosoma mansoni family M13 non-peptidase homologue (M13 family) 0.0058 0.4836 0.4836
Schistosoma mansoni hypothetical protein 0.003 0.2297 0.2297
Schistosoma mansoni hypothetical protein 0.003 0.2297 0.2297
Schistosoma mansoni family M13 non-peptidase homologue (M13 family) 0.0028 0.2116 0.2116
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0028 0.2116 0.2116
Loa Loa (eye worm) peptidase family M13 containing protein 0.0084 0.728 0.7139
Loa Loa (eye worm) hypothetical protein 0.0114 1 1
Echinococcus granulosus cpg binding protein 0.0034 0.2697 0.2463
Schistosoma mansoni endothelin-converting enzyme-like 1 (damage-induced neuronal endopeptidase) 0.0028 0.2116 0.2116
Brugia malayi Hypothetical zinc metalloproteinase T16A9.4 0.0114 1 1
Schistosoma mansoni hypothetical protein 0.003 0.2297 0.2297
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0245 0.5
Echinococcus multilocularis voltage dependent calcium channel 0.0074 0.6383 0.6268
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0028 0.2116 0.2116
Loa Loa (eye worm) hypothetical protein 0.0084 0.728 0.7139
Brugia malayi peptidase family M13 containing protein 0.0028 0.2116 0.172
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0074 0.6383 0.6268
Loa Loa (eye worm) zinc metallopeptidase 4 0.0028 0.2116 0.1709
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.031 0.031
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0245 0.5
Echinococcus granulosus voltage dependent calcium channel 0.0074 0.6383 0.6268
Schistosoma mansoni cpg binding protein 0.0034 0.2697 0.2697
Schistosoma mansoni neprilysin 0.003 0.2297 0.2297
Loa Loa (eye worm) hypothetical protein 0.0114 1 1
Loa Loa (eye worm) calcium channel 0.0074 0.6383 0.6197
Trypanosoma cruzi Voltage-dependent calcium channel subunit, putative 0.0026 0.1948 0.5
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0069 0.5839 0.5839
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.049 0.0186
Mycobacterium ulcerans zinc metalloprotease 0.0114 1 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.4279 0.4279
Loa Loa (eye worm) hypothetical protein 0.0084 0.728 0.7139
Loa Loa (eye worm) hypothetical protein 0.0084 0.728 0.7139
Schistosoma mansoni high voltage-activated calcium channel Cav1 0.0074 0.6383 0.6383
Trichomonas vaginalis helicase, putative 0.0007 0.0245 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0245 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0245 0.5
Brugia malayi CXXC zinc finger family protein 0.0032 0.2529 0.2153
Loa Loa (eye worm) hypothetical protein 0.0084 0.728 0.7139
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0245 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.4279 0.4279
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0028 0.2116 0.2116
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.4279 0.4279
Loa Loa (eye worm) hypothetical protein 0.0026 0.1948 0.1533
Schistosoma mansoni neprilysin-2 (M13 family) 0.0058 0.4836 0.4836
Loa Loa (eye worm) hypothetical protein 0.0086 0.7461 0.733
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0245 0.5
Loa Loa (eye worm) hypothetical protein 0.0074 0.6383 0.6197
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel 0.0074 0.6383 0.6268
Brugia malayi Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog 0.0074 0.6383 0.6202
Loa Loa (eye worm) hypothetical protein 0.0086 0.7461 0.733
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0058 0.4836 0.4836
Loa Loa (eye worm) hypothetical protein 0.0023 0.1662 0.1232
Schistosoma mansoni voltage-gated cation channel 0.0074 0.6383 0.6383
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0245 0.5
Loa Loa (eye worm) hypothetical protein 0.0086 0.7461 0.733
Mycobacterium tuberculosis Probable zinc metalloprotease Zmp1 0.0114 1 0.5
Toxoplasma gondii transporter, cation channel family protein 0.0026 0.1948 0.0343
Loa Loa (eye worm) CXXC zinc finger family protein 0.0032 0.2529 0.2144
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0058 0.4836 0.4836
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0074 0.6383 0.6268
Echinococcus multilocularis cpg binding protein 0.0034 0.2697 0.2463
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0245 0.5
Loa Loa (eye worm) peptidase family M13 containing protein 0.0084 0.728 0.7139
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0245 0.5
Echinococcus granulosus endothelin converting enzyme 1 0.0114 1 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0245 0.5
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0114 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.4279 0.4096
Loa Loa (eye worm) hypothetical protein 0.0023 0.1662 0.1232
Toxoplasma gondii peptidase family M13 protein 0.0114 1 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0245 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 11 uM 50% Inhibitory potency against enkephalinase from mouse striatum. ChEMBL. 6298420
IC50 (binding) > 100 uM 50% Inhibitory potency against angiotensin I converting enzyme from mouse striatum. ChEMBL. 6298420

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.

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