Detailed information for compound 314202

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 326.352 | Formula: C11H10N4O4S2
  • H donors: 2 H acceptors: 5 LogP: 1.47 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)OCC(=O)Nc1scnc1C(=O)Nc1nccs1
  • InChi: 1S/C11H10N4O4S2/c1-6(16)19-4-7(17)14-10-8(13-5-21-10)9(18)15-11-12-2-3-20-11/h2-3,5H,4H2,1H3,(H,14,17)(H,12,15,18)
  • InChiKey: ZJCXKUHRQUYJFH-UHFFFAOYSA-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
Escherichia coli methionine aminopeptidase Starlite/ChEMBL References
Saccharomyces cerevisiae Map1p Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium knowlesi methionine aminopeptidase 1b, putative Get druggable targets OG5_126721 All targets in OG5_126721
Plasmodium berghei methionine aminopeptidase 1a, putative Get druggable targets OG5_126721 All targets in OG5_126721
Plasmodium vivax methionine aminopeptidase 1b, putative Get druggable targets OG5_126721 All targets in OG5_126721
Mycobacterium tuberculosis Methionine aminopeptidase MapA (map) (peptidase M) (MetAP) Get druggable targets OG5_126721 All targets in OG5_126721
Plasmodium vivax methionine aminopeptidase 1a, putative Get druggable targets OG5_126721 All targets in OG5_126721
Candida albicans methionine aminopeptidase Get druggable targets OG5_126721 All targets in OG5_126721
Mycobacterium ulcerans methionine aminopeptidase Get druggable targets OG5_126721 All targets in OG5_126721
Brugia malayi Methionine aminopeptidase protein type I Get druggable targets OG5_126721 All targets in OG5_126721
Leishmania braziliensis methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24 Get druggable targets OG5_126721 All targets in OG5_126721
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) Get druggable targets OG5_126721 All targets in OG5_126721
Toxoplasma gondii methionine aminopeptidase, type i, putative Get druggable targets OG5_126721 All targets in OG5_126721
Plasmodium falciparum methionine aminopeptidase 1b, putative Get druggable targets OG5_126721 All targets in OG5_126721
Babesia bovis methionine aminopeptidase, putative Get druggable targets OG5_126721 All targets in OG5_126721
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) Get druggable targets OG5_126721 All targets in OG5_126721
Trypanosoma brucei methionine aminopeptidase, type I, putative Get druggable targets OG5_126721 All targets in OG5_126721
Trypanosoma congolense metallo- peptidase, Clan MG, Family M24 Get druggable targets OG5_126721 All targets in OG5_126721
Trypanosoma brucei metallo- peptidase, Clan MG, Family M24 Get druggable targets OG5_126721 All targets in OG5_126721
Cryptosporidium hominis methionine aminopeptidase 1 (MetAP 1) (MAP 1) (Peptidase M 1) Get druggable targets OG5_126721 All targets in OG5_126721
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) Get druggable targets OG5_126721 All targets in OG5_126721
Candida albicans methionine aminopeptidase Get druggable targets OG5_126721 All targets in OG5_126721
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) Get druggable targets OG5_126721 All targets in OG5_126721
Treponema pallidum methionine aminopeptidase (map) Get druggable targets OG5_126721 All targets in OG5_126721
Leishmania major methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24 Get druggable targets OG5_126721 All targets in OG5_126721
Toxoplasma gondii methionine aminopeptidase Get druggable targets OG5_126721 All targets in OG5_126721
Trypanosoma brucei gambiense methionine aminopeptidase, putative,metallo- peptidase, Clan MG, Family M24 Get druggable targets OG5_126721 All targets in OG5_126721
Schistosoma japonicum Methionine aminopeptidase 1, putative Get druggable targets OG5_126721 All targets in OG5_126721
Chlamydia trachomatis methionine aminopeptidase Get druggable targets OG5_126721 All targets in OG5_126721
Plasmodium yoelii methionine aminopeptidase, type I Get druggable targets OG5_126721 All targets in OG5_126721
Wolbachia endosymbiont of Brugia malayi methionine aminopeptidase Get druggable targets OG5_126721 All targets in OG5_126721
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPA (MAP) (PEPTIDASE M) (MetAP) Get druggable targets OG5_126721 All targets in OG5_126721
Plasmodium berghei methionine aminopeptidase 1b, putative Get druggable targets OG5_126721 All targets in OG5_126721
Leishmania infantum methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24 Get druggable targets OG5_126721 All targets in OG5_126721
Plasmodium yoelii methionine aminopeptidase, type I, putative Get druggable targets OG5_126721 All targets in OG5_126721
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 Get druggable targets OG5_126721 All targets in OG5_126721
Leishmania mexicana methionine aminopeptidase Get druggable targets OG5_126721 All targets in OG5_126721
Mycobacterium tuberculosis Methionine aminopeptidase MapB (map) (peptidase M) Get druggable targets OG5_126721 All targets in OG5_126721
Trypanosoma brucei methionine aminopeptidase, putative Get druggable targets OG5_126721 All targets in OG5_126721
Neospora caninum methionine aminopeptidase, putative Get druggable targets OG5_126721 All targets in OG5_126721
Toxoplasma gondii methionine aminopeptidase Get druggable targets OG5_126721 All targets in OG5_126721
Echinococcus granulosus methionyl aminopeptidase 1 M24 family Get druggable targets OG5_126721 All targets in OG5_126721
Leishmania donovani metallo- peptidase, Clan MG, Family M24 Get druggable targets OG5_126721 All targets in OG5_126721
Theileria parva methionine aminopeptidase, type I, putative Get druggable targets OG5_126721 All targets in OG5_126721
Schistosoma japonicum ko:K01265 methionyl aminopeptidase [EC3.4.11.18], putative Get druggable targets OG5_126721 All targets in OG5_126721
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPB (MAP) (PEPTIDASE M) Get druggable targets OG5_126721 All targets in OG5_126721
Loa Loa (eye worm) methionine aminopeptidase type I Get druggable targets OG5_126721 All targets in OG5_126721
Neospora caninum methionine aminopeptidase, putative Get druggable targets OG5_126721 All targets in OG5_126721
Plasmodium falciparum methionine aminopeptidase 1a, putative Get druggable targets OG5_126721 All targets in OG5_126721
Theileria parva methionine aminopeptidase, type I, putative Get druggable targets OG5_126721 All targets in OG5_126721
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 Get druggable targets OG5_126721 All targets in OG5_126721
Plasmodium knowlesi methionine aminopeptidase 1a, putative Get druggable targets OG5_126721 All targets in OG5_126721
Neospora caninum methionine aminopeptidase, putative Get druggable targets OG5_126721 All targets in OG5_126721
Mycobacterium ulcerans methionine aminopeptidase MapB Get druggable targets OG5_126721 All targets in OG5_126721
Babesia bovis methionine aminopeptidase, putative Get druggable targets OG5_126721 All targets in OG5_126721
Schistosoma japonicum ko:K01265 methionyl aminopeptidase [EC3.4.11.18], putative Get druggable targets OG5_126721 All targets in OG5_126721
Cryptosporidium parvum methionine aminopeptidase with MYND finger at N-terminus Get druggable targets OG5_126721 All targets in OG5_126721

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
Schistosoma mansoni ADAM17 peptidase (M12 family) 0.0604 0.0505 1
Loa Loa (eye worm) hypothetical protein 0.0189 0.0093 0.0717
Onchocerca volvulus Matrilysin homolog 0.0412 0.0314 1
Onchocerca volvulus Matrix metalloproteinase homolog 0.0412 0.0314 1
Brugia malayi Hemopexin family protein 0.0263 0.0167 0.4602
Loa Loa (eye worm) hypothetical protein 0.0143 0.0047 0.032
Loa Loa (eye worm) matrixin family protein 0.0449 0.0351 0.2948
Loa Loa (eye worm) hypothetical protein 0.014 0.0044 0.0292
Mycobacterium leprae PROBABLE HYDROLASE 0.0226 0.013 0.0037
Loa Loa (eye worm) hypothetical protein 0.0143 0.0047 0.032
Loa Loa (eye worm) hypothetical protein 0.0226 0.013 0.1032
Loa Loa (eye worm) hypothetical protein 0.0186 0.0089 0.0684
Toxoplasma gondii peptidase family M13 protein 0.0189 0.0093 0.0083
Brugia malayi Hypothetical zinc metalloproteinase T16A9.4 0.0189 0.0093 0.2457
Loa Loa (eye worm) peptidase family M13 containing protein 0.014 0.0044 0.0292
Onchocerca volvulus 0.0263 0.0167 0.3431
Echinococcus granulosus a disintegrin and metalloproteinase with 0.0285 0.0188 0.3161
Treponema pallidum polypeptide deformylase (def) 1.016 1 0.5
Trypanosoma cruzi Peptide deformylase 2, putative 0.3877 0.3757 1
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0226 0.013 0.3522
Loa Loa (eye worm) hypothetical protein 0.014 0.0044 0.0292
Wolbachia endosymbiont of Brugia malayi peptide deformylase 1.016 1 0.5
Mycobacterium ulcerans peptide deformylase 1.016 1 1
Schistosoma mansoni hypothetical protein 0.0263 0.0167 0.3298
Loa Loa (eye worm) hypothetical protein 0.0143 0.0047 0.032
Loa Loa (eye worm) hypothetical protein 0.0186 0.0089 0.0684
Schistosoma mansoni adam (A disintegrin and metalloprotease 0.0105 0.0009 0.0184
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0186 0.0089 0.1772
Mycobacterium tuberculosis Possible exported protein 0.1508 0.1403 0.1322
Loa Loa (eye worm) hypothetical protein 0.0143 0.0047 0.032
Loa Loa (eye worm) hypothetical protein 0.0186 0.0089 0.0684
Leishmania major polypeptide deformylase-like protein, putative 0.3877 0.3757 1
Brugia malayi Methionine aminopeptidase protein type I 0.0106 0.001 0.0032
Brugia malayi Peptidase family M13 containing protein 0.0189 0.0093 0.2457
Loa Loa (eye worm) matrix metalloproteinase 0.0186 0.0089 0.0684
Brugia malayi Matrixin family protein 0.0186 0.0089 0.2346
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0675 0.0576 1
Brugia malayi Matrixin family protein 0.0186 0.0089 0.2346
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.3877 0.3757 1
Loa Loa (eye worm) matrixin family protein 0.0412 0.0314 0.2629
Brugia malayi metalloprotease disintegrin 16 with thrombospondin type I motif 0.0285 0.0188 0.5239
Loa Loa (eye worm) peptidase family M13 containing protein 0.014 0.0044 0.0292
Plasmodium vivax peptide deformylase, putative 1.016 1 1
Plasmodium falciparum peptide deformylase 1.016 1 1
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0675 0.0576 1
Loa Loa (eye worm) hypothetical protein 0.1269 0.1166 1
Brugia malayi Matrixin family protein 0.0449 0.0351 1
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.0106 0.001 0.0019
Loa Loa (eye worm) hypothetical protein 0.0189 0.0093 0.0717
Loa Loa (eye worm) hypothetical protein 0.014 0.0044 0.0292
Trypanosoma brucei Polypeptide deformylase 1 0.3877 0.3757 1
Loa Loa (eye worm) hypothetical protein 0.0189 0.0093 0.0717
Schistosoma mansoni ADAMTS5 peptidase (M12 family) 0.0285 0.0188 0.3729
Echinococcus granulosus methionyl aminopeptidase 1 M24 family 0.0106 0.001 0.0019
Loa Loa (eye worm) hypothetical protein 0.014 0.0044 0.0292
Trypanosoma brucei Peptide deformylase 2 0.3877 0.3757 1
Echinococcus granulosus Blood coagulation inhibitor Disintegrin 0.0379 0.0281 0.4806
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 1.016 1 1
Echinococcus multilocularis Blood coagulation inhibitor, Disintegrin 0.0379 0.0281 0.4806
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.0144 0.0048 0.0943
Loa Loa (eye worm) hypothetical protein 0.0143 0.0047 0.032
Echinococcus granulosus adam 17 protease 0.0664 0.0565 0.9808
Toxoplasma gondii hypothetical protein 1.016 1 1
Echinococcus multilocularis a disintegrin and metalloproteinase with 0.0285 0.0188 0.3161
Echinococcus multilocularis adam 17 protease 0.0604 0.0505 0.8752
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0226 0.013 0.0037
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.3877 0.3757 1
Echinococcus multilocularis endothelin converting enzyme 1 0.0189 0.0093 0.1482
Mycobacterium ulcerans hydrolase 0.0226 0.013 0.0037
Echinococcus granulosus endothelin converting enzyme 1 0.0189 0.0093 0.1482
Loa Loa (eye worm) hypothetical protein 0.0143 0.0047 0.032
Brugia malayi Matrixin family protein 0.0186 0.0089 0.2346
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0189 0.0093 0.1847
Brugia malayi Matrixin family protein 0.0186 0.0089 0.2346
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 1.016 1 1
Trypanosoma cruzi Peptide deformylase 2, putative 0.3877 0.3757 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.076 uM Inhibitory concentration required against Escherichia coli MetAP1 (150 nM) ChEMBL. 15993057
IC50 (binding) = 0.076 uM Inhibitory concentration required against Escherichia coli MetAP1 (150 nM) ChEMBL. 15993057
IC50 (binding) = 2.65 uM Inhibitory concentration required against Saccharomyces cerevisiae MetAP1 (330 nM) ChEMBL. 15993057
IC50 (binding) = 2.65 uM Inhibitory concentration required against Saccharomyces cerevisiae MetAP1 (330 nM) ChEMBL. 15993057

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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