Detailed information for compound 51530

Basic information

Technical information
  • TDR Targets ID: 51530
  • Name: 4-[[3-(2-chloroethyl)-4-oxoimidazo[5,1-d][1,2 ,3,5]tetrazine-8-carbonyl]amino]benzene-1,3-d icarboxamide
  • MW: 404.768 | Formula: C15H13ClN8O4
  • H donors: 3 H acceptors: 5 LogP: 0.49 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: ClCCn1nnc2n(c1=O)cnc2C(=O)Nc1ccc(cc1C(=O)N)C(=O)N
  • InChi: 1S/C15H13ClN8O4/c16-3-4-24-15(28)23-6-19-10(13(23)21-22-24)14(27)20-9-2-1-7(11(17)25)5-8(9)12(18)26/h1-2,5-6H,3-4H2,(H2,17,25)(H2,18,26)(H,20,27)
  • InChiKey: SBZBUHMRZHMZSI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-[[3-(2-chloroethyl)-4-oxo-imidazo[5,1-d][1,2,3,5]tetrazine-8-carbonyl]amino]benzene-1,3-dicarboxamide
  • 4-[[[3-(2-chloroethyl)-4-oxo-8-imidazo[5,1-d][1,2,3,5]tetrazinyl]-oxomethyl]amino]benzene-1,3-dicarboxamide
  • 4-[[3-(2-chloroethyl)-4-oxo-imidazo[5,1-d][1,2,3,5]tetrazin-8-yl]carbonylamino]benzene-1,3-dicarboxamide
  • 4-[[3-(2-chloroethyl)-4-keto-imidazo[5,1-d][1,2,3,5]tetrazine-8-carbonyl]amino]isophthalamide

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
Toxoplasma gondii methionine aminopeptidase, type i, putative 0.009 0.2643 0.2643
Plasmodium vivax FACT complex subunit SPT16, putative 0.0037 0.0082 0.0082
Echinococcus granulosus methionyl aminopeptidase 2 0.0242 1 1
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0242 1 1
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24, putative 0.0037 0.0082 0.0082
Leishmania major methionine aminopeptidase 2, putative 0.0242 1 1
Trypanosoma cruzi aminopeptidase P1, putative 0.0037 0.0082 0.0082
Mycobacterium ulcerans methionine aminopeptidase 0.009 0.2643 1
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24, putative 0.0037 0.0082 0.0082
Toxoplasma gondii creatinase domain-containing protein 0.0037 0.0082 0.0082
Trypanosoma cruzi Metallopeptidase family M24, putative 0.0037 0.0082 0.0082
Loa Loa (eye worm) initiation factor 2-associated protein 0.0242 1 1
Toxoplasma gondii methionine aminopeptidase 0.009 0.2643 0.2643
Toxoplasma gondii peptidase D, putative 0.0037 0.0082 0.0082
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.0125 0.4337 0.4337
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.0242 1 1
Trypanosoma brucei metallo-peptidase, Clan MG, Family M24 0.0242 1 1
Plasmodium falciparum aminopeptidase P 0.0037 0.0082 0.0082
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPB (MAP) (PEPTIDASE M) 0.009 0.2643 1
Plasmodium vivax methionine aminopeptidase 1b, putative 0.0125 0.4337 0.4337
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.009 0.2643 0.2582
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.0242 1 1
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) 0.009 0.2643 0.2582
Plasmodium vivax methionine aminopeptidase 1c, putative 0.0037 0.0082 0.0082
Onchocerca volvulus Methionine aminopeptidase 2 homolog 0.0242 1 1
Leishmania major aminopeptidase P, putative,metallo-peptidase, Clan MG, Family M24 0.0037 0.0082 0.0082
Toxoplasma gondii methionine aminopeptidase 2, putative 0.0242 1 1
Echinococcus multilocularis methionyl aminopeptidase 2 0.0242 1 1
Leishmania major hypothetical protein, conserved 0.0037 0.0082 0.0082
Leishmania major transcription factor-like protein 0.0037 0.0082 0.0082
Leishmania major aminopeptidase P1, putative,metallo-peptidase, Clan MG, Family M24 0.0037 0.0082 0.0082
Echinococcus granulosus methionyl aminopeptidase 1 M24 family 0.0125 0.4337 0.4291
Plasmodium falciparum methionine aminopeptidase 2 0.0242 1 1
Chlamydia trachomatis methionine aminopeptidase 0.009 0.2643 1
Trypanosoma brucei methionine aminopeptidase, type I, putative 0.0125 0.4337 0.4337
Trypanosoma cruzi Metallopeptidase family M24, putative 0.0037 0.0082 0.0082
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0242 1 1
Wolbachia endosymbiont of Brugia malayi methionine aminopeptidase 0.009 0.2643 1
Trypanosoma brucei metallo-peptidase, Clan MG, Family M24 0.0037 0.0082 0.0082
Plasmodium falciparum proliferation-associated protein 2g4, putative 0.0037 0.0082 0.0082
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) 0.009 0.2643 0.2582
Toxoplasma gondii methionine aminopeptidase 0.0125 0.4337 0.4337
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.0037 0.0082 0.0082
Loa Loa (eye worm) methionine aminopeptidase type I 0.0125 0.4337 0.4291
Giardia lamblia Methionine aminopeptidase 0.0242 1 1
Plasmodium vivax methionine aminopeptidase 2, putative 0.0242 1 1
Trypanosoma cruzi Metallopeptidase family M24/FACT complex subunit (SPT16/CDC68)/Histone chaperone Rttp106-like, putative 0.0037 0.0082 0.0082
Mycobacterium tuberculosis Methionine aminopeptidase MapB (map) (peptidase M) 0.009 0.2643 1
Toxoplasma gondii proliferation-associated protein 2G4, putative 0.0037 0.0082 0.0082
Plasmodium vivax peptidase, putative 0.0037 0.0082 0.0082
Leishmania major methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24 0.0125 0.4337 0.4337
Plasmodium vivax proliferation-associated protein 2g4, putative 0.0037 0.0082 0.0082
Trypanosoma brucei metallo- peptidase, Clan MG, Family M24 0.0125 0.4337 0.4337
Plasmodium vivax methionine aminopeptidase 1a, putative 0.009 0.2643 0.2643
Toxoplasma gondii transcriptional elongation factor FACT140 0.0037 0.0082 0.0082
Entamoeba histolytica methionine aminopeptidase, putative 0.0242 1 1
Mycobacterium tuberculosis Methionine aminopeptidase MapA (map) (peptidase M) (MetAP) 0.009 0.2643 1
Trypanosoma brucei Facilitates chromatin transcription complex subunit spt16 0.0037 0.0082 0.0082
Brugia malayi Methionine aminopeptidase protein type I 0.0125 0.4337 0.4291
Trypanosoma brucei methionine aminopeptidase 2, putative 0.0242 1 1
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24 0.0037 0.0082 0.0082
Leishmania major aminopeptidase P1, putative,metallo-peptidase, Clan MG, Family M24 0.0037 0.0082 0.0082
Leishmania major aminopeptidase P1, putative,metallo-peptidase, Clan MG, Family M24 0.0037 0.0082 0.0082
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0242 1 1
Schistosoma mansoni methionyl aminopeptidase 2 (M24 family) 0.0242 1 1
Trypanosoma brucei Metallopeptidase family M24, putative 0.0037 0.0082 0.0082
Trypanosoma brucei methionine aminopeptidase, putative 0.0125 0.4337 0.4337
Treponema pallidum methionine aminopeptidase (map) 0.009 0.2643 1
Trypanosoma brucei Xaa-Pro aminopeptidase, putative 0.0037 0.0082 0.0082
Plasmodium falciparum FACT complex subunit SPT16, putative 0.0037 0.0082 0.0082
Mycobacterium ulcerans methionine aminopeptidase MapB 0.009 0.2643 1
Plasmodium falciparum methionine aminopeptidase 1c, putative 0.0037 0.0082 0.0082
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0242 1 1
Plasmodium falciparum methionine aminopeptidase 1b, putative 0.0125 0.4337 0.4337
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.0037 0.0082 0.0082
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPA (MAP) (PEPTIDASE M) (MetAP) 0.009 0.2643 1
Trypanosoma cruzi aminopeptidase P, putative 0.0037 0.0082 0.0082
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.0125 0.4337 0.4291
Plasmodium falciparum methionine aminopeptidase 1a, putative 0.009 0.2643 0.2643
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.0125 0.4337 0.4337
Trypanosoma brucei metallo-peptidase, Clan MG, Family M24 0.0037 0.0082 0.0082

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 375 uM In vitro cytotoxicity against mouse TLX5 lymphoma cells ChEMBL. 7739008
IC50 (functional) = 375 uM In vitro cytotoxicity against mouse TLX5 lymphoma 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.