Detailed information for compound 50919

Basic information

Technical information
  • TDR Targets ID: 50919
  • Name: 3-ethyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine -8-carboxamide
  • MW: 208.177 | Formula: C7H8N6O2
  • H donors: 1 H acceptors: 3 LogP: 0 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCn1nnc2n(c1=O)cnc2C(=O)N
  • InChi: 1S/C7H8N6O2/c1-2-13-7(15)12-3-9-4(5(8)14)6(12)10-11-13/h3H,2H2,1H3,(H2,8,14)
  • InChiKey: PGAIUOGGXNCFSR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-ethyl-4-oxo-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
  • 3-ethyl-4-oxo-8-imidazo[5,1-d][1,2,3,5]tetrazinecarboxamide
  • 3-ethyl-4-keto-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
  • ethazolastone
  • 97716-74-0
  • NSC652944
  • 8-Carbamoyl-3-ethylimidazo(5,1-d)-1,2,3,5-tetrazin-4(3H)-one
  • Ccrg 82019
  • Imidazo(5,1-d)-1,2,3,5-tetrazine-8-carboxamide, 3-ethyl-3,4-dihydro-4-oxo-

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
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0199 1 0.5
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0199 1 0.5
Giardia lamblia Methionine aminopeptidase 0.0199 1 0.5
Onchocerca volvulus Methionine aminopeptidase 2 homolog 0.0199 1 0.5
Echinococcus multilocularis methionyl aminopeptidase 2 0.0199 1 1
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.0199 1 1
Plasmodium vivax methionine aminopeptidase 1b, putative 0.0123 0.3252 0.3252
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPA (MAP) (PEPTIDASE M) (MetAP) 0.0087 0 0.5
Wolbachia endosymbiont of Brugia malayi methionine aminopeptidase 0.0087 0 0.5
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.0123 0.3252 0.3252
Mycobacterium tuberculosis Methionine aminopeptidase MapA (map) (peptidase M) (MetAP) 0.0087 0 0.5
Plasmodium falciparum methionine aminopeptidase 2 0.0199 1 1
Schistosoma mansoni methionyl aminopeptidase 2 (M24 family) 0.0199 1 1
Loa Loa (eye worm) initiation factor 2-associated protein 0.0199 1 1
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPB (MAP) (PEPTIDASE M) 0.0087 0 0.5
Treponema pallidum methionine aminopeptidase (map) 0.0087 0 0.5
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.0199 1 1
Leishmania major methionine aminopeptidase 2, putative 0.0199 1 1
Entamoeba histolytica methionine aminopeptidase, putative 0.0199 1 0.5
Chlamydia trachomatis methionine aminopeptidase 0.0087 0 0.5
Plasmodium vivax methionine aminopeptidase 2, putative 0.0199 1 1
Echinococcus granulosus methionyl aminopeptidase 2 0.0199 1 1
Toxoplasma gondii methionine aminopeptidase 2, putative 0.0199 1 1
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0199 1 0.5
Trypanosoma brucei metallo-peptidase, Clan MG, Family M24 0.0199 1 1
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0199 1 0.5
Plasmodium falciparum methionine aminopeptidase 1b, putative 0.0123 0.3252 0.3252
Mycobacterium ulcerans methionine aminopeptidase MapB 0.0087 0 0.5
Trypanosoma brucei methionine aminopeptidase 2, putative 0.0199 1 1
Mycobacterium ulcerans methionine aminopeptidase 0.0087 0 0.5
Toxoplasma gondii methionine aminopeptidase 0.0123 0.3252 0.3252
Mycobacterium tuberculosis Methionine aminopeptidase MapB (map) (peptidase M) 0.0087 0 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 180 uM In vitro cytotoxicity against human lymphoblastoid cell (GM892 A) ChEMBL. 7739008
IC50 (functional) = 435 uM In vitro cytotoxicity against Raji cell line ChEMBL. 7739008
IC50 (functional) = 435 uM In vitro cytotoxicity against Raji cell line ChEMBL. 7739008
Ratio (functional) = 2.4 Ratio of cytotoxicity against Raji cells to that of GM892 A cells. ChEMBL. 7739008

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.