Detailed information for compound 543619

Basic information

Technical information
  • TDR Targets ID: 543619
  • Name: [3-[(1-hydroxy-2-oxo-azepan-3-yl)amino]-3-oxo -propyl] 7-[formyl(hydroxy)amino]-2-[[(2Z)-2- (6-oxocyclohexa-2,4-dien-1-ylidene)oxazolidin e-4-carbonyl]amino]heptanoate
  • MW: 591.61 | Formula: C27H37N5O10
  • H donors: 5 H acceptors: 8 LogP: 0.2 Rotable bonds: 17
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=CN(CCCCCC(C(=O)OCCC(=O)NC1CCCCN(C1=O)O)NC(=O)C1COC(=C2C=CC=CC2=O)N1)O
  • InChi: 1S/C27H37N5O10/c33-17-31(39)13-6-1-2-10-20(29-24(36)21-16-42-25(30-21)18-8-3-4-11-22(18)34)27(38)41-15-12-23(35)28-19-9-5-7-14-32(40)26(19)37/h3-4,8,11,17,19-21,30,39-40H,1-2,5-7,9-10,12-16H2,(H,28,35)(H,29,36)/b25-18-
  • InChiKey: NGQYHMUFXKSYFU-BWAHOGKJSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 7-[formyl(hydroxy)amino]-2-[[oxo-[(2Z)-2-(6-oxo-1-cyclohexa-2,4-dienylidene)-4-oxazolidinyl]methyl]amino]heptanoic acid [3-[(1-hydroxy-2-oxo-3-azepanyl)amino]-3-oxopropyl] ester
  • [3-[(1-hydroxy-2-oxo-azepan-3-yl)amino]-3-oxo-propyl] 7-[hydroxy(methanoyl)amino]-2-[[(2Z)-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,3-oxazolidin-4-yl]carbonylamino]heptanoate
  • 7-[formyl(hydroxy)amino]-2-[[(2Z)-2-(6-ketocyclohexa-2,4-dien-1-ylidene)oxazolidine-4-carbonyl]amino]enanthic acid [3-[(1-hydroxy-2-keto-azepan-3-yl)amino]-3-keto-propyl] ester
  • [3-[(1-hydroxy-2-oxoazepan-3-yl)amino]-3-oxopropyl] 7-[formyl(hydroxy)amino]-2-[[(2Z)-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,3-oxazolidine-4-carbonyl]amino]heptanoate
  • mycobactins
  • [3-[(1-hydroxy-2-oxoazepan-3-yl)amino]-3-oxopropyl] 7-(formyl-hydroxyamino)-2-[[(2Z)-2-(6-oxo-1-cyclohexa-2,4-dienylidene)1,3-oxazolidine-4-carbonyl]amino]heptanoate
  • [3-[(1-hydroxy-2-oxo-azepan-3-yl)amino]-3-oxo-propyl] 7-(formyl-hydroxy-amino)-2-[[(2Z)-2-(6-oxo-1-cyclohexa-2,4-dienylidene)oxazolidine-4-carbonyl]amino]heptanoate
  • 7-(formyl-hydroxyamino)-2-[[oxo-[(2Z)-2-(6-oxo-1-cyclohexa-2,4-dienylidene)-4-oxazolidinyl]methyl]amino]heptanoic acid [3-[(1-hydroxy-2-oxo-3-azepanyl)amino]-3-oxopropyl] ester
  • 7-(formyl-hydroxy-amino)-2-[[(2Z)-2-(6-keto-1-cyclohexa-2,4-dienylidene)oxazolidine-4-carbonyl]amino]enanthic acid [3-[(1-hydroxy-2-keto-azepan-3-yl)amino]-3-keto-propyl] ester
  • [3-[(1-hydroxy-2-oxo-azepan-3-yl)amino]-3-oxo-propyl] 7-(hydroxy-methanoyl-amino)-2-[[(2Z)-2-(6-oxo-1-cyclohexa-2,4-dienylidene)-1,3-oxazolidin-4-yl]carbonylamino]heptanoate
  • 1400-46-0
  • Mycobactin
  • Mycobactin (M)

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
Leishmania major heat shock protein 83-1 0.0045 0.1903 0.1942
Loa Loa (eye worm) endoplasmin 0.0045 0.1903 0.1944
Leishmania major heat shock protein 83-1 0.0045 0.1903 0.1942
Trypanosoma cruzi heat shock protein, putative 0.003 0.0929 0.4877
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.128 0.1315
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0124 0.6995 0.7144
Trypanosoma cruzi heat shock protein 85, putative 0.0039 0.1484 0.7795
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0597 0.3133
Trypanosoma brucei heat shock protein 90, putative 0.0045 0.1903 1
Plasmodium vivax heat shock protein 90, putative 0.003 0.0929 0.0928
Brugia malayi heat shock protein 90 0.0045 0.1903 0.1944
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0597 0.0596
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0071 0.3604 0.3681
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0597 0.0596
Schistosoma mansoni serine/threonine protein kinase 0.0124 0.6995 0.7187
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1898 0.195
Onchocerca volvulus Heat shock protein 75 kDa, mitochondrial homolog 0.003 0.0929 0.5
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0039 0.1484 0.1524
Loa Loa (eye worm) hypothetical protein 0.0019 0.0223 0.0228
Toxoplasma gondii heat shock protein 75, putative 0.003 0.0929 0.0928
Schistosoma mansoni endoplasmin 0.0045 0.1903 0.1955
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0223 0.1166
Trypanosoma cruzi heat shock protein 90, putative 0.0019 0.0216 0.1128
Leishmania major heat shock protein 83-1 0.0045 0.1903 0.1942
Leishmania major heat shock protein 83-1 0.0045 0.1903 0.1942
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.1898 0.1938
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0223 0.0229
Trypanosoma cruzi heat shock protein 85, putative 0.0045 0.1903 1
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0002 0.0002
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1898 0.195
Echinococcus granulosus geminin 0.0166 0.9733 1
Leishmania major heat shock protein 83-1 0.0045 0.1903 0.1942
Echinococcus granulosus endoplasmin 0.0042 0.1725 0.1772
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0223 0.1166
Loa Loa (eye worm) heat shock protein 75 0.003 0.0929 0.0949
Treponema pallidum heat shock protein 90 0.0042 0.1725 0.5
Schistosoma mansoni hypothetical protein 0.0035 0.128 0.1315
Schistosoma mansoni hypothetical protein 0.0166 0.9733 1
Toxoplasma gondii Hsp90 domain-containing protein 0.0171 1 1
Echinococcus granulosus heat shock protein 75 kDa mitochondrial 0.003 0.0929 0.0954
Trypanosoma cruzi DNA polymerase eta, putative 0.0019 0.0223 0.1166
Trypanosoma brucei heat shock protein, putative 0.0045 0.1903 1
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0002 0.0002
Giardia lamblia Macrophage migration inhibitory factor 0.0167 0.9792 1
Trypanosoma cruzi Heat shock protein 83, putative 0.0045 0.1903 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0597 0.0596
Entamoeba histolytica heat shock protein 90, putative 0.0045 0.1903 0.1756
Entamoeba histolytica macrophage migration inhibitory factor-like protein 0.0167 0.9792 1
Mycobacterium ulcerans heat shock protein 90 0.0042 0.1725 1
Trichomonas vaginalis heat shock protein, putative 0.0033 0.1107 0.0924
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0042 0.1725 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0223 0.1166
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.0223 0.0226
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0002 0.0002
Brugia malayi hypothetical protein 0.0016 0.0032 0.0032
Plasmodium vivax endoplasmin, putative 0.0045 0.1903 0.1902
Leishmania major macrophage migration inhibitory factor-like protein 0.0167 0.9792 1
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0124 0.6995 0.7144
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0223 0.1166
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0223 0.1166
Echinococcus granulosus heat shock protein 90 0.0045 0.1903 0.1955
Giardia lamblia Heat shock protein HSP 90-alpha 0.0039 0.1484 0.1317
Leishmania major heat shock protein, putative 0.003 0.0929 0.0947
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0223 0.1166
Echinococcus multilocularis heat shock protein 90 0.0039 0.1484 0.1524
Trypanosoma brucei heat shock protein, putative 0.0045 0.1903 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0002 0.0002
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0002 0.0002
Entamoeba histolytica hypothetical protein 0.0035 0.128 0.1104
Trichomonas vaginalis heat shock protein, putative 0.0042 0.1725 0.1569
Leishmania major DNA polymerase kappa, putative 0.0019 0.0223 0.0226
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.2158 0.2204
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.1159 0.1184
Leishmania major macrophage migration inhibitory factor-like protein 0.0167 0.9792 1
Plasmodium vivax macrophage migration inhibitory factor, putative 0.0167 0.9792 0.9792
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0597 0.3133
Leishmania major heat shock protein 83-1 0.0045 0.1903 0.1942
Giardia lamblia Heat shock protein HSP 90-alpha 0.0045 0.1903 0.1756
Leishmania major heat shock protein 83-1 0.0045 0.1903 0.1942
Schistosoma mansoni hypothetical protein 0.0166 0.9733 1
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0223 0.1166
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0112 0.6198 0.6329
Leishmania major DNA polymerase eta, putative 0.0019 0.0223 0.0226
Leishmania major heat shock protein 83-1 0.0045 0.1903 0.1942
Echinococcus multilocularis heat shock protein 90 0.0045 0.1903 0.1955
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0002 0.0002
Schistosoma mansoni heat shock protein 0.003 0.0929 0.0954
Trypanosoma brucei heat shock protein, putative 0.0045 0.1903 1
Leishmania major heat shock protein 83-1 0.0045 0.1903 0.1942
Toxoplasma gondii heat shock protein HSP90 0.0045 0.1903 0.1902
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0223 0.0229
Plasmodium falciparum macrophage migration inhibitory factor 0.0167 0.9792 0.9792
Trypanosoma brucei heat shock protein 90, putative 0.0045 0.1903 1
Loa Loa (eye worm) G protein-coupled receptor kinase 1 0.0112 0.6198 0.6329
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0223 0.1286
Trichomonas vaginalis macrophage migration inhibitory factor, mif, putative 0.0167 0.9792 1
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0223 0.0228
Leishmania major heat shock protein 83-1 0.0045 0.1903 0.1942
Plasmodium falciparum heat shock protein 90 0.0045 0.1903 0.1902
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0002 0.0002
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0223 0.1166
Leishmania major heat shock protein 83-1 0.0045 0.1903 0.1942
Entamoeba histolytica hypothetical protein 0.0035 0.128 0.1104
Leishmania major heat shock protein 83-1 0.0045 0.1903 0.1942
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0223 0.1166
Echinococcus granulosus heat shock protein 0.0045 0.1903 0.1955
Toxoplasma gondii macrophage migration inhibitory factor, putative 0.0167 0.9792 0.9792
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.0223 0.1166
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0223 0.0229
Plasmodium falciparum heat shock protein 90, putative 0.0026 0.0688 0.0686
Brugia malayi isocitrate dehydrogenase 0.0016 0.0002 0.0002
Entamoeba histolytica 90 kDa heat shock protein, putative 0.003 0.0929 0.0738
Brugia malayi Bm-MIF-1, identical 0.0167 0.9792 1
Entamoeba histolytica heat shock protein 90, putative 0.0045 0.1903 0.1756
Schistosoma mansoni hypothetical protein 0.0033 0.1159 0.1191
Leishmania major heat shock protein 83-1 0.0045 0.1903 0.1942
Echinococcus granulosus dna polymerase eta 0.0019 0.0223 0.0229
Plasmodium falciparum endoplasmin, putative 0.0033 0.1107 0.1106
Schistosoma mansoni heat shock protein 0.0045 0.1903 0.1955
Trichomonas vaginalis heat shock protein, putative 0.0045 0.1903 0.1756
Leishmania major heat shock protein 83-1 0.0045 0.1903 0.1942
Trypanosoma brucei heat shock protein, putative 0.0045 0.1903 1
Leishmania major heat shock protein 83-1 0.0045 0.1903 0.1942
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0223 0.1166
Echinococcus multilocularis endoplasmin 0.0042 0.1725 0.1772
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0223 0.1166
Entamoeba histolytica hypothetical protein 0.0035 0.128 0.1104
Plasmodium vivax heat shock protein, putative 0.0171 1 1
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0071 0.3604 0.3681
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0002 0.0002
Echinococcus multilocularis geminin 0.0166 0.9733 1
Trichomonas vaginalis heat shock protein, putative 0.0042 0.1725 0.1569
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0002 0.0002
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0223 0.0228
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1898 0.195
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.2158 0.2204
Brugia malayi hypothetical protein 0.0035 0.128 0.1307
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1898 0.195
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.128 0.1315
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0223 0.1166
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0597 0.0596
Entamoeba histolytica hypothetical protein 0.0035 0.128 0.1104
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1898 0.195
Trichomonas vaginalis endoplasmin, putative 0.0033 0.1107 0.0924
Schistosoma mansoni heat shock protein 0.0045 0.1903 0.1955
Brugia malayi hypothetical protein 0.0025 0.0597 0.061
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0223 0.0228
Leishmania major heat shock protein 83-1 0.0045 0.1903 0.1942
Loa Loa (eye worm) hypothetical protein 0.0049 0.2158 0.2204
Plasmodium vivax heat shock protein 86, putative 0.0045 0.1903 0.1902
Trypanosoma brucei heat shock protein, putative 0.0045 0.1903 1
Echinococcus multilocularis heat shock protein 75 kDa, mitochondrial 0.003 0.0929 0.0954
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.128 0.1315
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0223 0.0229
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0042 0.1725 1
Trypanosoma brucei heat shock protein, putative 0.0045 0.1903 1
Trypanosoma cruzi heat shock protein 85, putative 0.0045 0.1903 1
Schistosoma mansoni endoplasmin 0.0045 0.1903 0.1955
Leishmania major heat shock protein 83-1 0.0045 0.1903 0.1942
Trypanosoma brucei heat shock protein, putative 0.0045 0.1903 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1898 0.195
Trichomonas vaginalis heat shock protein, putative 0.0026 0.0688 0.0486
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0042 0.1725 0.176
Echinococcus granulosus [G-protein-coupledreceptor] kinase 0.0112 0.6198 0.6367
Loa Loa (eye worm) macrophage migration inhibitory factor 0.0167 0.9792 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0597 0.061
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0223 0.1166
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0223 0.1166
Brugia malayi Hsp90 protein 0.003 0.0929 0.0949
Trypanosoma brucei unspecified product 0.0019 0.0223 0.1166
Giardia lamblia Grp94/Hsp90 0.0042 0.1725 0.1569
Toxoplasma gondii heat shock protein 90, putative 0.0045 0.1903 0.1902
Echinococcus granulosus dna polymerase kappa 0.0019 0.0223 0.0229
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0223 0.1166
Leishmania major hypothetical protein, conserved 0.0025 0.0597 0.0609
Echinococcus multilocularis heat shock protein 0.0045 0.1903 0.1955
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0112 0.6198 0.6329
Trypanosoma brucei Heat shock protein 83, putative 0.0045 0.1903 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1898 0.195
Echinococcus multilocularis G protein coupled receptor kinase 6 0.0112 0.6198 0.6367
Loa Loa (eye worm) hypothetical protein 0.0033 0.1159 0.1184
Trypanosoma cruzi heat shock protein 90, putative 0.0039 0.1484 0.7795
Echinococcus granulosus heat shock protein 90 0.0039 0.1484 0.1524
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0597 0.3133
Trypanosoma brucei heat shock protein, putative 0.0045 0.1903 1
Trypanosoma cruzi heat shock protein 90, putative 0.0045 0.1903 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0223 0.1166
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.1898 0.1938
Trichomonas vaginalis conserved hypothetical protein 0.0167 0.9792 1
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0042 0.1725 0.5
Trypanosoma brucei heat shock protein 84, putative 0.003 0.0929 0.4877
Trichomonas vaginalis heat shock protein, putative 0.0039 0.1484 0.1317
Echinococcus multilocularis dna polymerase eta 0.0019 0.0223 0.0229
Brugia malayi Endoplasmin precursor 0.0045 0.1903 0.1944
Trypanosoma cruzi heat shock protein 85, putative 0.0045 0.1903 1
Schistosoma mansoni DNA polymerase eta 0.0019 0.0223 0.0229
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.2158 0.2204
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0223 0.0229
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0223 0.1166
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.0223 0.1286
Loa Loa (eye worm) heat shock protein 90 0.0045 0.1903 0.1944

Activities

No activities found for this compound.

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

No literature references available for this target.

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