Detailed information for compound 54422

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 144.172 | Formula: C6H12N2O2
  • H donors: 3 H acceptors: 2 LogP: -3.64 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(C(=O)O)(/C=C/CN)N
  • InChi: 1S/C6H12N2O2/c1-6(8,5(9)10)3-2-4-7/h2-3H,4,7-8H2,1H3,(H,9,10)/b3-2+
  • InChiKey: QOIQIPISRJHZOE-NSCUHMNNSA-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
Rattus norvegicus Ornithine decarboxylase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium knowlesi S-adenosylmethionine decarboxylase/ornithine decarboxylase, putative Get druggable targets OG5_126750 All targets in OG5_126750
Plasmodium yoelii S-adenosylmethionine decarboxylase-ornithine decarboxylase-related Get druggable targets OG5_126750 All targets in OG5_126750
Brugia malayi Pyridoxal-dependent decarboxylase, pyridoxal binding domain containing protein Get druggable targets OG5_126750 All targets in OG5_126750
Onchocerca volvulus Get druggable targets OG5_126750 All targets in OG5_126750
Leishmania donovani ornithine decarboxylase, putative Get druggable targets OG5_126750 All targets in OG5_126750
Giardia lamblia Ornithine decarboxylase Get druggable targets OG5_126750 All targets in OG5_126750
Neospora caninum Diaminopimelate decarboxylase protein, related Get druggable targets OG5_126750 All targets in OG5_126750
Plasmodium berghei S-adenosylmethionine decarboxylase/ornithine decarboxylase, putative Get druggable targets OG5_126750 All targets in OG5_126750
Trypanosoma congolense ornithine decarboxylase Get druggable targets OG5_126750 All targets in OG5_126750
Leishmania braziliensis ornithine decarboxylase, putative Get druggable targets OG5_126750 All targets in OG5_126750
Trypanosoma brucei gambiense ornithine decarboxylase, putative Get druggable targets OG5_126750 All targets in OG5_126750
Toxoplasma gondii diaminopimelate decarboxylase Get druggable targets OG5_126750 All targets in OG5_126750
Trichomonas vaginalis ornithine decarboxylase, putative Get druggable targets OG5_126750 All targets in OG5_126750
Mycobacterium tuberculosis Diaminopimelate decarboxylase LysA (DAP decarboxylase) Get druggable targets OG5_126750 All targets in OG5_126750
Trypanosoma congolense ornithine decarboxylase, putative Get druggable targets OG5_126750 All targets in OG5_126750
Trypanosoma brucei ornithine decarboxylase Get druggable targets OG5_126750 All targets in OG5_126750
Leishmania mexicana ornithine decarboxylase, putative Get druggable targets OG5_126750 All targets in OG5_126750
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_126750 All targets in OG5_126750
Loa Loa (eye worm) pyridoxal-dependent decarboxylase Get druggable targets OG5_126750 All targets in OG5_126750
Candida albicans Ornithine decarboxylase similar to S. cerevisiae SPE1 (YKL184W) involved in pantothenate and polyamine biosynthesis Get druggable targets OG5_126750 All targets in OG5_126750
Mycobacterium leprae PROBABLE DIAMINOPIMELATE DECARBOXYLASE LYSA (DAP DECARBOXYLASE) Get druggable targets OG5_126750 All targets in OG5_126750
Trichomonas vaginalis ornithine decarboxylase, putative Get druggable targets OG5_126750 All targets in OG5_126750
Plasmodium falciparum S-adenosylmethionine decarboxylase/ornithine decarboxylase Get druggable targets OG5_126750 All targets in OG5_126750
Trichomonas vaginalis diaminopimelate decarboxylase, putative Get druggable targets OG5_126750 All targets in OG5_126750
Mycobacterium ulcerans diaminopimelate decarboxylase LysA Get druggable targets OG5_126750 All targets in OG5_126750
Trichomonas vaginalis diaminopimelate decarboxylase, putative Get druggable targets OG5_126750 All targets in OG5_126750
Leishmania major ornithine decarboxylase, putative Get druggable targets OG5_126750 All targets in OG5_126750
Trichomonas vaginalis pyridoxal-dependent decarboxylase, putative Get druggable targets OG5_126750 All targets in OG5_126750
Candida albicans Ornithine decarboxylase similar to S. cerevisiae SPE1 (YKL184W) involved in pantothenate and polyamine biosynthesis Get druggable targets OG5_126750 All targets in OG5_126750
Plasmodium vivax S-adenosylmethionine decarboxylase-ornithine decarboxylase, putative Get druggable targets OG5_126750 All targets in OG5_126750
Leishmania infantum ornithine decarboxylase, putative Get druggable targets OG5_126750 All targets in OG5_126750
Entamoeba histolytica ornithine decarboxylase, putative Get druggable targets OG5_126750 All targets in OG5_126750

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Onchocerca volvulus Ornithine decarboxylase   461 aa 387 aa 30.0 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Mycobacterium tuberculosis Diaminopimelate decarboxylase LysA (DAP decarboxylase) 0.0072 0.7179 0.5
Onchocerca volvulus 0.0089 1 1
Plasmodium falciparum S-adenosylmethionine decarboxylase/ornithine decarboxylase 0.0072 0.7179 0.5
Schistosoma mansoni tyrosinase precursor 0.0089 1 0.5
Entamoeba histolytica ornithine decarboxylase, putative 0.0072 0.7179 0.5
Trichomonas vaginalis diaminopimelate decarboxylase, putative 0.0072 0.7179 1
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0089 1 1
Onchocerca volvulus 0.0089 1 1
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0089 1 1
Trypanosoma brucei ornithine decarboxylase 0.0072 0.7179 0.5
Loa Loa (eye worm) hypothetical protein 0.0089 1 1
Toxoplasma gondii diaminopimelate decarboxylase 0.0072 0.7179 0.5
Plasmodium vivax S-adenosylmethionine decarboxylase-ornithine decarboxylase, putative 0.0072 0.7179 0.5
Mycobacterium leprae PROBABLE DIAMINOPIMELATE DECARBOXYLASE LYSA (DAP DECARBOXYLASE) 0.0028 0 0.5
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0089 1 1
Loa Loa (eye worm) tyrosinase 1 0.0089 1 1
Leishmania major ornithine decarboxylase, putative 0.0072 0.7179 0.5
Loa Loa (eye worm) hypothetical protein 0.0089 1 1
Giardia lamblia Ornithine decarboxylase 0.0072 0.7179 0.5
Brugia malayi Common central domain of tyrosinase family protein 0.0089 1 1
Trichomonas vaginalis pyridoxal-dependent decarboxylase, putative 0.0072 0.7179 1
Loa Loa (eye worm) ShTK domain-containing protein 0.0089 1 1
Trichomonas vaginalis ornithine decarboxylase, putative 0.0072 0.7179 1
Mycobacterium ulcerans diaminopimelate decarboxylase LysA 0.0072 0.7179 0.5
Loa Loa (eye worm) ShTK domain-containing protein 0.0089 1 1
Onchocerca volvulus 0.0089 1 1
Onchocerca volvulus 0.0089 1 1
Trichomonas vaginalis ornithine decarboxylase, putative 0.0072 0.7179 1
Brugia malayi Hypothetical tyrosinase-like protein F21C3.2 in chromosome I 0.0089 1 1
Schistosoma mansoni tyrosinase precursor 0.0089 1 0.5
Trichomonas vaginalis diaminopimelate decarboxylase, putative 0.0072 0.7179 1

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 2.7 uM The apparent dissociation constant for irreversible inhibition of rat liver ornithine decarboxylase (ODC) ChEMBL. 6631913
Ki (binding) = 2.7 uM The apparent dissociation constant for irreversible inhibition of rat liver ornithine decarboxylase (ODC) ChEMBL. 6631913
T1/2 (ADMET) 0 min Pharmacokinetic parameter half life was determined; No time-dependent inhibition. ChEMBL. 6631913
T50 (ADMET) 0 min The times of half-inactivation constant (T50) was determined for ODC; No time-dependent inhibition. ChEMBL. 6631913

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.