Detailed information for compound 314540

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 225.291 | Formula: C8H7N3OS2
  • H donors: 1 H acceptors: 3 LogP: 1.89 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ncsc1C)Nc1nccs1
  • InChi: 1S/C8H7N3OS2/c1-5-6(10-4-14-5)7(12)11-8-9-2-3-13-8/h2-4H,1H3,(H,9,11,12)
  • InChiKey: OBHRGZAMQBOQKL-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
Saccharomyces cerevisiae Map1p Starlite/ChEMBL References
Escherichia coli methionine aminopeptidase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium berghei methionine aminopeptidase 1b, 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
Plasmodium falciparum methionine aminopeptidase 1b, putative 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
Plasmodium knowlesi methionine aminopeptidase 1a, 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
Mycobacterium ulcerans methionine aminopeptidase 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 falciparum methionine aminopeptidase 1a, 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
Plasmodium knowlesi methionine aminopeptidase 1b, putative 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
Candida albicans methionine aminopeptidase 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
Wolbachia endosymbiont of Brugia malayi methionine aminopeptidase 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
Trypanosoma brucei 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
Toxoplasma gondii methionine aminopeptidase 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
Schistosoma japonicum ko:K01265 methionyl aminopeptidase [EC3.4.11.18], putative Get druggable targets OG5_126721 All targets in OG5_126721
Leishmania mexicana methionine aminopeptidase 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
Babesia bovis methionine aminopeptidase, putative 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 gambiense 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
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 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
Trypanosoma brucei methionine aminopeptidase, 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
Plasmodium yoelii methionine aminopeptidase, type I 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
Candida albicans methionine aminopeptidase 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
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
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 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
Brugia malayi Methionine aminopeptidase protein type I 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
Echinococcus granulosus methionyl aminopeptidase 1 M24 family 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
Trypanosoma brucei methionine aminopeptidase, type I, putative 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
Neospora caninum methionine aminopeptidase, putative 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
Neospora caninum 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
Leishmania braziliensis methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24 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
Babesia bovis methionine aminopeptidase, putative 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
Theileria parva methionine aminopeptidase, type I, 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

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 methionine aminopeptidase, putative 0.0106 0.03 0.5
Mycobacterium tuberculosis Conserved hypothetical membrane protein 0.012 0.035 0.0123
Mycobacterium leprae SECRETED ANTIGEN 85-B FBPB (85B) (ANTIGEN 85 COMPLEX B) (MYCOLYL TRANSFERASE 85B) (FIBRONECTIN-BINDING PROTEIN B) (EXTRACELLULAR 0.012 0.035 0.0123
Mycobacterium ulcerans hypothetical protein 0.012 0.035 0.0123
Mycobacterium tuberculosis Conserved protein 0.012 0.035 0.0123
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.0106 0.03 0.5907
Onchocerca volvulus 0.0038 0.0058 1
Onchocerca volvulus 0.0038 0.0058 1
Loa Loa (eye worm) LBP/BPI/CETP family domain-containing protein 0.0038 0.0058 0.1671
Mycobacterium ulcerans secreted antigen 85-B FbpB 0.012 0.035 0.0123
Mycobacterium leprae Secreted antigen 85A FbpA (mycolyl transferase 85A) (fibronectin-binding protein A) (antigen 85 complex A) 0.012 0.035 0.0123
Toxoplasma gondii methionine aminopeptidase 0.0106 0.03 1
Plasmodium falciparum methionine aminopeptidase 1b, putative 0.0106 0.03 1
Treponema pallidum methionine aminopeptidase (map) 0.0086 0.0229 0.5
Loa Loa (eye worm) methionine aminopeptidase type I 0.0106 0.03 0.859
Mycobacterium tuberculosis Probable conserved exported protein 0.012 0.035 0.0123
Mycobacterium tuberculosis Secreted antigen 85-C FbpC (85C) (antigen 85 complex C) (AG58C) (mycolyl transferase 85C) (fibronectin-binding protein C) 0.2822 1 1
Entamoeba histolytica endo-1,4-beta-xylanase, putative 0.012 0.035 0.5
Brugia malayi LBP / BPI / CETP family, N-terminal domain containing protein 0.0038 0.0058 0.1671
Loa Loa (eye worm) esterase D 0.012 0.035 1
Onchocerca volvulus 0.0038 0.0058 1
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) 0.0086 0.0229 0.5
Plasmodium vivax methionine aminopeptidase 1b, putative 0.0106 0.03 1
Mycobacterium ulcerans hypothetical protein 0.012 0.035 0.0123
Trypanosoma brucei methionine aminopeptidase, type I, putative 0.0106 0.03 0.5
Echinococcus multilocularis S formylglutathione hydrolase 0.012 0.035 1
Mycobacterium ulcerans hypothetical protein 0.012 0.035 0.0123
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.0106 0.03 0.5
Mycobacterium ulcerans secreted antigen 85-A FbpA 0.012 0.035 0.0123
Mycobacterium ulcerans hypothetical protein 0.012 0.035 0.0123
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.0106 0.03 0.5
Onchocerca volvulus 0.0038 0.0058 1
Mycobacterium ulcerans secreted Mpt51/Mpb51 antigen protein FbpD 0.012 0.035 0.0123
Mycobacterium tuberculosis Secreted antigen 85-a FbpA (mycolyl transferase 85A) (fibronectin-binding protein A) (antigen 85 complex A) 0.012 0.035 0.0123
Leishmania major methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24 0.0106 0.03 0.5
Mycobacterium tuberculosis Secreted MPT51/MPB51 antigen protein FbpD (MPT51/MPB51 antigen 85 complex C) (AG58C) (mycolyl transferase 85C) (fibronectin-bind 0.012 0.035 0.0123
Onchocerca volvulus 0.0038 0.0058 1
Onchocerca volvulus 0.0038 0.0058 1
Brugia malayi LBP / BPI / CETP family, N-terminal domain containing protein 0.0038 0.0058 0.1671
Brugia malayi Esterase D 0.012 0.035 1
Trypanosoma brucei metallo- peptidase, Clan MG, Family M24 0.0106 0.03 0.5
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) 0.0086 0.0229 0.5
Mycobacterium tuberculosis Secreted antigen 85-B FbpB (85B) (antigen 85 complex B) (mycolyl transferase 85B) (fibronectin-binding protein B) (extracellular 0.012 0.035 0.0123
Wolbachia endosymbiont of Brugia malayi methionine aminopeptidase 0.0086 0.0229 0.5
Onchocerca volvulus 0.0038 0.0058 1
Brugia malayi LBP / BPI / CETP family, C-terminal domain containing protein 0.0038 0.0058 0.1671
Mycobacterium tuberculosis Possible conserved membrane protein 0.012 0.035 0.0123
Mycobacterium ulcerans secreted antigen 85-C FbpC 0.2822 1 1
Chlamydia trachomatis methionine aminopeptidase 0.0086 0.0229 0.5
Brugia malayi Methionine aminopeptidase protein type I 0.0106 0.03 0.859
Echinococcus granulosus S formylglutathione hydrolase 0.012 0.035 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0058 0.1671
Onchocerca volvulus 0.0038 0.0058 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.18 uM Inhibitory concentration required against Escherichia coli MetAP1 (150 nM) ChEMBL. 15993057
IC50 (binding) = 0.18 uM Inhibitory concentration required against Escherichia coli MetAP1 (150 nM) ChEMBL. 15993057
IC50 (binding) = 9.82 uM Inhibitory concentration required against Saccharomyces cerevisiae MetAP1 (330 nM) ChEMBL. 15993057
IC50 (binding) = 9.82 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.