Detailed information for compound 941153

Basic information

Technical information
  • TDR Targets ID: 941153
  • Name: methyl (5R)-16-hydroxy-14-methoxy-13-methyl-7 ,11-dioxo-10-oxa-3-thia-6-azabicyclo[10.4.0]h exadeca-1(12),13,15-triene-5-carboxylate
  • MW: 383.416 | Formula: C17H21NO7S
  • H donors: 2 H acceptors: 4 LogP: 1.18 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)[C@@H]1CSCc2c(O)cc(c(c2C(=O)OCCC(=O)N1)C)OC
  • InChi: 1S/C17H21NO7S/c1-9-13(23-2)6-12(19)10-7-26-8-11(16(21)24-3)18-14(20)4-5-25-17(22)15(9)10/h6,11,19H,4-5,7-8H2,1-3H3,(H,18,20)/t11-/m0/s1
  • InChiKey: ANZDNIFPOCZQGO-NSHDSACASA-N  


Substructure search Similarity search

Network

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Synonyms

  • (5R)-16-hydroxy-14-methoxy-13-methyl-7,11-dioxo-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxylic acid methyl ester
  • (5R)-16-hydroxy-7,11-diketo-14-methoxy-13-methyl-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxylic acid methyl ester

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
Loa Loa (eye worm) methionine aminopeptidase type I 0.0078 0.1016 0.1016
Mycobacterium tuberculosis Isoleucyl-tRNA synthetase IleS 0.0048 0.0524 0.4173
Echinococcus granulosus methionine aminopeptidase type I 0.0078 0.1016 0.1016
Onchocerca volvulus 0.0026 0.0171 0.0171
Brugia malayi metallopeptidase family M24 containing protein 0.0078 0.1016 0.0859
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0078 0.1016 0.1016
Trypanosoma cruzi isoleucyl-tRNA synthetase, putative 0.0074 0.0953 0.0953
Wolbachia endosymbiont of Brugia malayi isoleucyl-tRNA synthetase 0.0074 0.0953 0.9256
Trypanosoma brucei metallo- peptidase, Clan MG, Family M24 0.0078 0.1016 0.0859
Mycobacterium ulcerans methionine aminopeptidase MapB 0.0078 0.1016 1
Leishmania major methionine aminopeptidase 2, putative 0.0629 1 1
Giardia lamblia Methionine aminopeptidase 0.0629 1 1
Trypanosoma brucei metallo-peptidase, Clan MG, Family M24 0.0078 0.1016 0.0859
Echinococcus multilocularis FACT complex subunit SPT16 0.0078 0.1016 0.1016
Leishmania major isoleucyl-tRNA synthetase, putative 0.0074 0.0953 0.0795
Loa Loa (eye worm) MH2 domain-containing protein 0.0115 0.1622 0.1622
Trypanosoma brucei metallo-peptidase, Clan MG, Family M24 0.0078 0.1016 0.0859
Entamoeba histolytica hypothetical protein, conserved 0.0078 0.1016 0.0859
Toxoplasma gondii methionine aminopeptidase 0.0078 0.1016 0.0859
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24, putative 0.0078 0.1016 0.1016
Brugia malayi isoleucyl-tRNA synthetase 0.0074 0.0953 0.0795
Echinococcus multilocularis leucyl tRNA synthetase 0.0026 0.0171 0.0171
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0078 0.1016 0.1016
Plasmodium vivax methionine aminopeptidase 1c, putative 0.0078 0.1016 0.0859
Trichomonas vaginalis leucyl-tRNA synthetase, putative 0.0026 0.0171 0.0171
Echinococcus granulosus methionyl aminopeptidase 1 M24 family 0.0078 0.1016 0.1016
Mycobacterium leprae isoleucyl-tRNA synthetase IleS 0.0074 0.0953 0.9256
Trypanosoma cruzi valyl-tRNA synthetase, putative 0.0026 0.0171 0.0171
Trypanosoma cruzi aminopeptidase P, putative 0.0078 0.1016 0.1016
Echinococcus granulosus valyl tRNA synthetase 0.0026 0.0171 0.0171
Echinococcus multilocularis isoleucyl tRNA synthetase, cytoplasmic 0.0074 0.0953 0.0953
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0629 1 1
Onchocerca volvulus 0.0058 0.0695 0.0695
Loa Loa (eye worm) hypothetical protein 0.0078 0.1016 0.1016
Schistosoma mansoni valine-tRNA ligase 0.0026 0.0171 0.0171
Mycobacterium ulcerans cytoplasmic peptidase PepQ 0.0078 0.1016 1
Mycobacterium tuberculosis Dipeptidase PepE 0.0078 0.1016 1
Loa Loa (eye worm) isoleucyl-tRNA synthetase 0.0074 0.0953 0.0953
Loa Loa (eye worm) transcription factor SMAD2 0.0115 0.1622 0.1622
Schistosoma mansoni isoleucine--tRNA ligase 0.0074 0.0953 0.0953
Mycobacterium tuberculosis Methionine aminopeptidase MapA (map) (peptidase M) (MetAP) 0.0078 0.1016 1
Echinococcus granulosus leucyl tRNA synthetase 0.0026 0.0171 0.0171
Toxoplasma gondii proliferation-associated protein 2G4, putative 0.0078 0.1016 0.0859
Schistosoma mansoni valine-tRNA ligase 0.0026 0.0171 0.0171
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0078 0.1016 0.1016
Plasmodium falciparum aminopeptidase P 0.0078 0.1016 0.0859
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0078 0.1016 0.1016
Echinococcus granulosus Xaa Pro aminopeptidase 3 0.0078 0.1016 0.1016
Toxoplasma gondii transcriptional elongation factor FACT140 0.0078 0.1016 0.0859
Schistosoma mansoni chromatin-specific transcription elongation factor 140 kDa subunit (M24 family) 0.0078 0.1016 0.1016
Chlamydia trachomatis methionine aminopeptidase 0.0078 0.1016 1
Mycobacterium ulcerans dipeptidase 0.0078 0.1016 1
Leishmania major methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24 0.0078 0.1016 0.0859
Brugia malayi MH2 domain containing protein 0.0115 0.1622 0.1476
Leishmania major hypothetical protein, conserved 0.0078 0.1016 0.0859
Mycobacterium tuberculosis Methionine aminopeptidase MapB (map) (peptidase M) 0.0078 0.1016 1
Mycobacterium ulcerans valyl-tRNA synthetase 0.0026 0.0171 0.1688
Leishmania major transcription factor-like protein 0.0078 0.1016 0.0859
Trypanosoma brucei methionine aminopeptidase, type I, putative 0.0078 0.1016 0.0859
Schistosoma mansoni peptidase 0.0078 0.1016 0.1016
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.0078 0.1016 0.1016
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.0629 1 1
Trypanosoma cruzi Metallopeptidase family M24, putative 0.0078 0.1016 0.1016
Treponema pallidum methionine aminopeptidase (map) 0.0078 0.1016 1
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0078 0.1016 0.1016
Toxoplasma gondii peptidase D, putative 0.0078 0.1016 0.0859
Echinococcus granulosus xaa Pro dipeptidase 0.0078 0.1016 0.1016
Toxoplasma gondii isoleucyl-tRNA synthetase family protein 0.0074 0.0953 0.0795
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.0629 1 1
Trypanosoma cruzi leucyl-tRNA synthetase, putative 0.0026 0.0171 0.0171
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24, putative 0.0078 0.1016 0.1016
Echinococcus granulosus FACT complex subunit SPT16 0.0078 0.1016 0.1016
Echinococcus granulosus methionyl aminopeptidase 2 0.0629 1 1
Toxoplasma gondii methionine aminopeptidase 2, putative 0.0629 1 1
Entamoeba histolytica peptidase, putative 0.0078 0.1016 0.0859
Plasmodium falciparum isoleucine--tRNA ligase, putative 0.0074 0.0953 0.0795
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0629 1 1
Schistosoma mansoni proliferation-associated protein 2G4 38kDa (M24 family) 0.0078 0.1016 0.1016
Loa Loa (eye worm) hypothetical protein 0.0078 0.1016 0.1016
Trypanosoma brucei methionine aminopeptidase 2, putative 0.0629 1 1
Toxoplasma gondii creatinase domain-containing protein 0.0078 0.1016 0.0859
Chlamydia trachomatis valine--tRNA ligase 0.0026 0.0171 0.1688
Plasmodium falciparum methionine aminopeptidase 1b, putative 0.0078 0.1016 0.0859
Plasmodium falciparum methionine aminopeptidase 1a, putative 0.0078 0.1016 0.0859
Brugia malayi isoleucyl-tRNA synthetase family protein 0.0074 0.0953 0.0795
Echinococcus multilocularis xaa Pro dipeptidase 0.0078 0.1016 0.1016
Mycobacterium leprae Probable cytoplasmic peptidase PepQ 0.0078 0.1016 1
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.0078 0.1016 0.1016
Treponema pallidum isoleucyl-tRNA synthetase 0.0074 0.0953 0.9382
Schistosoma mansoni aminopeptidase P homologue (M24 family) 0.0078 0.1016 0.1016
Trypanosoma cruzi Metallopeptidase family M24, putative 0.0078 0.1016 0.1016
Leishmania major aminopeptidase P1, putative,metallo-peptidase, Clan MG, Family M24 0.0078 0.1016 0.0859
Plasmodium falciparum methionine aminopeptidase 1c, putative 0.0078 0.1016 0.0859
Echinococcus granulosus Proliferation associated protein 2G4 0.0078 0.1016 0.1016
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) 0.0078 0.1016 0.1016
Plasmodium vivax methionine aminopeptidase 2, putative 0.0629 1 1
Giardia lamblia Isoleucyl-tRNA synthetase 0.0074 0.0953 0.0795
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.0078 0.1016 0.1016
Entamoeba histolytica Xaa-Pro dipeptidase, putative 0.0078 0.1016 0.0859
Mycobacterium ulcerans dipeptidase PepE 0.0078 0.1016 1
Mycobacterium tuberculosis Probable cytoplasmic peptidase PepQ 0.0078 0.1016 1
Brugia malayi metallopeptidase family M24 containing protein 0.0078 0.1016 0.0859
Echinococcus granulosus isoleucyl trna synthetase mitochondrial 0.0058 0.0695 0.0695
Plasmodium vivax FACT complex subunit SPT16, putative 0.0078 0.1016 0.0859
Entamoeba histolytica isoleucyl-tRNA synthetase, putative 0.0074 0.0953 0.0795
Trypanosoma cruzi aminopeptidase P1, putative 0.0078 0.1016 0.1016
Leishmania major aminopeptidase P1, putative,metallo-peptidase, Clan MG, Family M24 0.0078 0.1016 0.0859
Wolbachia endosymbiont of Brugia malayi Xaa-Pro aminopeptidase 0.0078 0.1016 1
Onchocerca volvulus Dipeptidase C homolog 0.0078 0.1016 0.1016
Echinococcus granulosus isoleucyl tRNA synthetase, cytoplasmic 0.0074 0.0953 0.0953
Loa Loa (eye worm) hypothetical protein 0.0058 0.0695 0.0695
Echinococcus multilocularis isoleucyl tRNA synthetase, mitochondrial 0.0058 0.0695 0.0695
Schistosoma mansoni aminopeptidase P1 (M24 family) 0.0078 0.1016 0.1016
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.0078 0.1016 0.1016
Brugia malayi metallopeptidase family M24 containing protein 0.0078 0.1016 0.0859
Plasmodium vivax methionine aminopeptidase 1b, putative 0.0078 0.1016 0.0859
Chlamydia trachomatis isoleucine--tRNA ligase 0.0074 0.0953 0.9382
Wolbachia endosymbiont of Brugia malayi methionine aminopeptidase 0.0078 0.1016 1
Mycobacterium ulcerans aminopeptidase 0.0078 0.1016 1
Loa Loa (eye worm) initiation factor 2-associated protein 0.0629 1 1
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPA (MAP) (PEPTIDASE M) (MetAP) 0.0078 0.1016 1
Schistosoma mansoni leucyl-tRNA synthetase 0.0026 0.0171 0.0171
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0078 0.1016 0.1016
Brugia malayi DNA-binding protein, 42 kDa containing protein 0.0078 0.1016 0.0859
Loa Loa (eye worm) hypothetical protein 0.0074 0.0953 0.0953
Trypanosoma brucei isoleucyl-tRNA synthetase, putative 0.0074 0.0953 0.0795
Echinococcus multilocularis Xaa Pro aminopeptidase 3 0.0078 0.1016 0.1016
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPB (MAP) (PEPTIDASE M) 0.0078 0.1016 1
Onchocerca volvulus Methionine aminopeptidase 2 homolog 0.0629 1 1
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0078 0.1016 0.1016
Entamoeba histolytica methionine aminopeptidase, putative 0.0629 1 1
Giardia lamblia Xaa-Pro dipeptidase 0.0078 0.1016 0.0859
Giardia lamblia Xaa-Pro dipeptidase 0.0078 0.1016 0.0859
Trypanosoma brucei Facilitates chromatin transcription complex subunit spt16 0.0078 0.1016 0.0859
Entamoeba histolytica aminopeptidase, putative 0.0078 0.1016 0.0859
Plasmodium falciparum methionine aminopeptidase 2 0.0629 1 1
Toxoplasma gondii methionine aminopeptidase 0.0078 0.1016 0.0859
Echinococcus multilocularis Proliferation associated protein 2G4 0.0078 0.1016 0.1016
Echinococcus multilocularis xaa Pro dipeptidase 0.0078 0.1016 0.1016
Echinococcus multilocularis valyl tRNA synthetase 0.0026 0.0171 0.0171
Trichomonas vaginalis isoleucyl tRNA synthetase, putative 0.0074 0.0953 0.0953
Trypanosoma cruzi Metallopeptidase family M24/FACT complex subunit (SPT16/CDC68)/Histone chaperone Rttp106-like, putative 0.0078 0.1016 0.1016
Leishmania major aminopeptidase P1, putative,metallo-peptidase, Clan MG, Family M24 0.0078 0.1016 0.0859
Echinococcus multilocularis methionyl aminopeptidase 2 0.0629 1 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0171 0.0171
Leishmania major aminopeptidase P, putative,metallo-peptidase, Clan MG, Family M24 0.0078 0.1016 0.0859
Plasmodium vivax isoleucine--tRNA ligase, putative 0.0074 0.0953 0.0795
Trichomonas vaginalis leucyl-tRNA synthetase, putative 0.0026 0.0171 0.0171
Schistosoma mansoni isoleucine--tRNA ligase 0.0074 0.0953 0.0953
Mycobacterium ulcerans methionine aminopeptidase 0.0078 0.1016 1
Echinococcus multilocularis valyl tRNA synthetase 0.0026 0.0171 0.0171
Echinococcus multilocularis methionine aminopeptidase, type I 0.0078 0.1016 0.1016
Trypanosoma brucei Xaa-Pro aminopeptidase, putative 0.0078 0.1016 0.0859
Schistosoma mansoni Xaa-Pro dipeptidase (M24 family) 0.0078 0.1016 0.1016
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24 0.0078 0.1016 0.0859
Plasmodium falciparum FACT complex subunit SPT16, putative 0.0078 0.1016 0.0859
Toxoplasma gondii methionine aminopeptidase, type i, putative 0.0078 0.1016 0.0859
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0078 0.1016 0.1016
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0629 1 1
Onchocerca volvulus 0.0078 0.1016 0.1016
Plasmodium vivax peptidase, putative 0.0078 0.1016 0.0859
Treponema pallidum aminopeptidase P 0.0078 0.1016 1
Chlamydia trachomatis aminopeptidase P 0.0078 0.1016 1
Plasmodium vivax methionine aminopeptidase 1a, putative 0.0078 0.1016 0.0859
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.0078 0.1016 0.1016
Loa Loa (eye worm) DNA-binding protein 0.0078 0.1016 0.1016
Echinococcus multilocularis leucyl tRNA synthetase 0.0026 0.0171 0.0171
Trypanosoma brucei Metallopeptidase family M24, putative 0.0078 0.1016 0.0859
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0078 0.1016 0.1016
Loa Loa (eye worm) metallopeptidase family M24 containing protein 0.0078 0.1016 0.1016
Loa Loa (eye worm) hypothetical protein 0.0078 0.1016 0.1016
Echinococcus granulosus xaa pro aminopeptidase 0.0078 0.1016 0.1016
Onchocerca volvulus FACT complex subunit SPT16 homolog 0.0078 0.1016 0.1016
Schistosoma mansoni methionyl aminopeptidase 2 (M24 family) 0.0629 1 1
Plasmodium vivax proliferation-associated protein 2g4, putative 0.0078 0.1016 0.0859
Echinococcus granulosus leucyl tRNA synthetase 0.0026 0.0171 0.0171
Mycobacterium ulcerans isoleucyl-tRNA synthetase 0.0074 0.0953 0.9382
Treponema pallidum valyl-tRNA synthetase 0.0026 0.0171 0.1688
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.0078 0.1016 0.1016
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0629 1 1
Echinococcus granulosus valyl tRNA synthetase 0.0026 0.0171 0.0171
Schistosoma mansoni proliferation-associated protein 2G4 38kDa (M24 family) 0.0078 0.1016 0.1016
Echinococcus multilocularis xaa pro aminopeptidase 0.0078 0.1016 0.1016
Plasmodium falciparum proliferation-associated protein 2g4, putative 0.0078 0.1016 0.0859
Brugia malayi Methionine aminopeptidase protein type I 0.0078 0.1016 0.0859
Trypanosoma brucei metallo-peptidase, Clan MG, Family M24 0.0629 1 1
Trypanosoma brucei methionine aminopeptidase, putative 0.0078 0.1016 0.0859
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) 0.0078 0.1016 0.1016
Echinococcus granulosus xaa Pro dipeptidase 0.0078 0.1016 0.1016

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) > 64 ug ml-1 Minimum inhibitory concentration against E. coli 25922 ChEMBL. 14998336
MNEC (binding) = 0.25 ug ml-1 Maximum noneffective concentration of the compound against E. coli DNA gyrase ChEMBL. 14998336
MNEC (binding) = 0.5 ug ml-1 Maximum noneffective concentration of the compound against E. coli DNA gyrase ChEMBL. 14998336

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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