Detailed information for compound 569884

Basic information

Technical information
  • TDR Targets ID: 569884
  • Name: 2-amino-N-[(1S,2R,3R,4S,5S,6R)-4-amino-3-[(2R ,3R,6S)-3-amino-6-(1-aminoethyl)tetrahydropyr an-2-yl]oxy-2,5-dihydroxy-6-methoxy-cyclohexy l]-N-methyl-acetamide; sulfuric acid
  • MW: 601.647 | Formula: C17H39N5O14S2
  • H donors: 10 H acceptors: 11 LogP: -11.75 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 4
  • SMILES: OS(=O)(=O)O.OS(=O)(=O)O.CO[C@H]1[C@@H](O)[C@H](N)[C@@H]([C@@H]([C@@H]1N(C(=O)CN)C)O)O[C@H]1O[C@@H](CC[C@H]1N)[C@H](N)C
  • InChi: 1S/C17H35N5O6.2H2O4S/c1-7(19)9-5-4-8(20)17(27-9)28-15-11(21)13(24)16(26-3)12(14(15)25)22(2)10(23)6-18;2*1-5(2,3)4/h7-9,11-17,24-25H,4-6,18-21H2,1-3H3;2*(H2,1,2,3,4)/t7?,8-,9+,11+,12+,13+,14-,15-,16-,17-;;/m1../s1
  • InChiKey: TYNZVWXDLOJTIM-GELHNPDXSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-amino-N-[(1S,2R,3R,4S,5S,6R)-4-amino-3-[[(2R,3R,6S)-3-amino-6-(1-aminoethyl)-2-tetrahydropyranyl]oxy]-2,5-dihydroxy-6-methoxycyclohexyl]-N-methylacetamide; sulfuric acid
  • 2-azanyl-N-[(1S,2R,3R,4S,5S,6R)-4-azanyl-3-[(2R,3R,6S)-3-azanyl-6-(1-azanylethyl)oxan-2-yl]oxy-2,5-dihydroxy-6-methoxy-cyclohexyl]-N-methyl-ethanamide; sulfuric acid
  • 2-amino-N-[(1S,2R,3R,4S,5S,6R)-4-amino-3-[(2R,3R,6S)-3-amino-6-(1-aminoethyl)oxan-2-yl]oxy-2,5-dihydroxy-6-methoxycyclohexyl]-N-methylacetamide; sulfuric acid
  • fortimicin A
  • 2-amino-N-[(1S,2R,3R,4S,5S,6R)-4-amino-3-[(2R,3R,6S)-3-amino-6-(1-aminoethyl)oxan-2-yl]oxy-2,5-dihydroxy-6-methoxy-cyclohexyl]-N-methyl-ethanamide; sulfuric acid
  • 72275-67-3
  • 55779-06-1
  • KW-1070
  • XK-701
  • 4-Amino-1-(2-amino-N-methylacetamido)-1,4-dideoxy-3-O-(2,6-diamino-2,3,4,6,7-pentadeoxy-beta-L-lyxo-heptopyranosyl)-6-O-methyl-L-chiro-inositol sulfate (1:2) (salt)
  • ASTROMICIN SULFATE
  • Abbott 44747
  • Abbott-44747
  • Astromicin Sulfate [USAN:JAN]
  • Fortimicin A sulfate
  • KW-1070 sulfate
  • L-chiro-Inositol, 4-amino-1-((aminoacetyl)methylamino)-1,4-dideoxy-3-O-(2,6-diamino-2,3,4,6,7-pentadeoxy-beta-L-lyxo-heptopyranosyl)-6-O-methyl-, disulfate
  • L-chiro-Inositol, 4-amino-1-((aminoacetyl)methylamino)-1,4-dideoxy-3-O-(2,6-diamino-2,3,4,6,7-pentadeoxy-beta-L-lyxo-heptopyranosyl)-6-O-methylsulfate (1:2) (salt)
  • XK 70-1 sulfate
  • C13353
  • Astromicin sulfate (JP15/USAN)
  • D01881
  • Fortimicin
  • Fortimicin (TN)

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
Brugia malayi RNA, U transporter 1 0.0082 0.0921 0.4115
Echinococcus multilocularis hedgehog 0.0552 1 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0094 0.1161 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.1161 1
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.1161 1
Schistosoma mansoni hypothetical protein 0.0036 0.0037 0.0051
Schistosoma mansoni hypothetical protein 0.0307 0.5263 0.7406
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0303 0.1354
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.1161 1
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0094 0.1161 0.2206
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0224 0.0188
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0303 0.0576
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0094 0.1161 0.1128
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0307 0.5263 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0224 0.0188
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0094 0.1161 0.1128
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.1161 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0224 0.0316
Loa Loa (eye worm) hypothetical protein 0.015 0.2239 0.4254
Giardia lamblia Kinase, PLK 0.0094 0.1161 0.5
Schistosoma mansoni lipoxygenase 0.0082 0.093 0.1309
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0224 0.0188
Echinococcus granulosus geminin 0.0169 0.2603 0.2575
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0117 0.1612 0.1582
Brugia malayi Hint module family protein 0.015 0.2239 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0224 0.0426
Schistosoma mansoni lipoxygenase 0.0117 0.1612 0.2269
Loa Loa (eye worm) hypothetical protein 0.005 0.0303 0.0576
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.1161 1
Schistosoma mansoni hypothetical protein 0.0402 0.7106 1
Schistosoma mansoni hypothetical protein 0.0169 0.2603 0.3662
Brugia malayi hypothetical protein 0.0036 0.0037 0.0163
Echinococcus granulosus snurportin 1 0.0307 0.5263 0.5245
Echinococcus multilocularis snurportin 1 0.0307 0.5263 0.5245
Brugia malayi serine/threonine-protein kinase plk-2 0.0094 0.1161 0.5185
Loa Loa (eye worm) hypothetical protein 0.015 0.2239 0.4254
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0224 0.0188
Schistosoma mansoni serine/threonine protein kinase 0.0094 0.1161 0.1634
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0037 0.0051
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0224 0.0316
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0117 0.1612 0.1582
Trypanosoma cruzi polo-like protein kinase, putative 0.0094 0.1161 0.5
Schistosoma mansoni hypothetical protein 0.0169 0.2603 0.3662
Onchocerca volvulus Serine\/threonine kinase homolog 0.0094 0.1161 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.1161 1
Brugia malayi Hint module family protein 0.015 0.2239 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0224 0.1002
Schistosoma mansoni kinase 0.0048 0.0268 0.0377
Trypanosoma brucei polo-like protein kinase 0.0094 0.1161 0.5
Echinococcus multilocularis geminin 0.0169 0.2603 0.2575
Entamoeba histolytica serine/threonine protein kinase, putative 0.0094 0.1161 1
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.1161 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0303 0.1354
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0094 0.1161 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0224 0.0316

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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