Detailed information for compound 301169

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 311.374 | Formula: C15H14KNO4
  • H donors: 1 H acceptors: 4 LogP: 1.86 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: C[C@H]([C@H]1C(=O)N2[C@@H]1CC(=C2C(=O)[O-])c1ccccc1)O.[K+]
  • InChi: 1S/C15H15NO4.K/c1-8(17)12-11-7-10(9-5-3-2-4-6-9)13(15(19)20)16(11)14(12)18;/h2-6,8,11-12,17H,7H2,1H3,(H,19,20);/q;+1/p-1/t8-,11-,12-;/m1./s1
  • InChiKey: XYUGJWFJJLJJJF-WALHMCSDSA-M  

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
Trypanosoma brucei RNA helicase, putative 0.0263 0.1308 0.5
Brugia malayi hypothetical protein 0.0141 0 0.5
Echinococcus granulosus protoporphyrinogen oxidase 0.0932 0.8485 1
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0141 0 0.5
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0141 0 0.5
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0141 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0141 0 0.5
Brugia malayi SWIRM domain containing protein 0.0141 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0141 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0141 0 0.5
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.1073 1 0.5
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0141 0 0.5
Trypanosoma cruzi UDP-galactopyranose mutase 0.0141 0 0.5
Trypanosoma cruzi UDP-galactopyranose mutase 0.0141 0 0.5
Brugia malayi amine oxidase, flavin-containing family protein 0.0141 0 0.5
Mycobacterium ulcerans protoporphyrinogen oxidase 0.1073 1 1
Mycobacterium tuberculosis Probable protoporphyrinogen oxidase HemY (protoporphyrinogen-IX oxidase) (protoporphyrinogenase) (PPO) 0.0932 0.8485 1
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.1073 1 1
Echinococcus multilocularis protoporphyrinogen oxidase 0.1073 1 1
Leishmania major UDP-galactopyranose mutase 0.0141 0 0.5
Schistosoma mansoni hypothetical protein 0.0263 0.1308 0.1308
Onchocerca volvulus 0.0141 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0141 0 0.5
Plasmodium vivax hypothetical protein, conserved 0.0141 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0141 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0141 0 0.5
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0141 0 0.5
Plasmodium vivax hypothetical protein, conserved 0.0141 0 0.5
Toxoplasma gondii histone lysine-specific demethylase 0.0141 0 0.5
Plasmodium falciparum protoporphyrinogen oxidase 0.0141 0 0.5

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 0.03 ug ml-1 Antibiotic activity was determined against Pseudomonas aeruginosa (5) ChEMBL. 3572975
MIC (functional) = 0.5 ug ml-1 Antibiotic activity was determined against Staphylococcus aureus (5) ChEMBL. 3572975
MIC (functional) = 1.4 ug ml-1 Antibiotic activity was determined against Klebsiella species (5) ChEMBL. 3572975
MIC (functional) = 2.5 ug ml-1 Antibiotic activity was determined against Escherichia coli(5) ChEMBL. 3572975
MIC (functional) = 2.5 ug ml-1 Antibiotic activity was determined against Escherichia coli(5) ChEMBL. 3572975
MIC (functional) = 4.6 ug ml-1 Antibiotic activity was determined against Enterobacter species (6) ChEMBL. 3572975
MIC (functional) = 5.7 ug ml-1 Antibiotic activity was determined against Enterococcus (3) ChEMBL. 3572975
MIC (functional) = 10 ug ml-1 Antibiotic activity was determined against Serratia species (2) ChEMBL. 3572975
MIC (functional) = 10 ug ml-1 Antibiotic activity was determined against Proteus species (5) ChEMBL. 3572975
Relative susceptibility (binding) = 0.2 Susceptibility to mammalian dehydropeptidase DHP-1 relative to thienamycin ChEMBL. 3572975
Relative susceptibility (binding) = 0.2 Susceptibility to mammalian dehydropeptidase DHP-1 relative to thienamycin ChEMBL. 3572975

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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