Detailed information for compound 560427

Basic information

Technical information
  • TDR Targets ID: 560427
  • Name: (2E)-8-(2-amino-3-hydroxy-3-oxo-propyl)-2-[7- (2-amino-3-hydroxy-3-oxo-propyl)-5-hydroxy-3- oxo-4H-1,4-benzothiazin-2-ylidene]-5-hydroxy- 1,4-benzothiazine-3-carboxylic acid
  • MW: 560.556 | Formula: C23H20N4O9S2
  • H donors: 8 H acceptors: 9 LogP: -4.28 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 3
  • SMILES: OC(=O)C(Cc1cc(O)c2c(c1)s/c(=C/1\Sc3c(ccc(c3N=C1C(=O)O)O)CC(C(=O)O)N)/c(=O)[nH]2)N
  • InChi: 1S/C23H20N4O9S2/c24-9(21(31)32)3-7-4-12(29)14-13(5-7)37-19(20(30)27-14)18-16(23(35)36)26-15-11(28)2-1-8(17(15)38-18)6-10(25)22(33)34/h1-2,4-5,9-10,28-29H,3,6,24-25H2,(H,27,30)(H,31,32)(H,33,34)(H,35,36)/b19-18+
  • InChiKey: XHNIELAPHCENGK-VHEBQXMUSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2E)-8-(2-amino-3-hydroxy-3-oxopropyl)-2-[7-(2-amino-3-hydroxy-3-oxopropyl)-5-hydroxy-3-oxo-4H-1,4-benzothiazin-2-ylidene]-5-hydroxy-1,4-benzothiazine-3-carboxylic acid
  • (2E)-8-(2-azanyl-3-hydroxy-3-oxo-propyl)-2-[7-(2-azanyl-3-hydroxy-3-oxo-propyl)-5-hydroxy-3-oxo-4H-1,4-benzothiazin-2-ylidene]-5-hydroxy-1,4-benzothiazine-3-carboxylic acid
  • (2E)-8-(2-amino-3-hydroxy-3-keto-propyl)-2-[7-(2-amino-3-hydroxy-3-keto-propyl)-5-hydroxy-3-keto-4H-1,4-benzothiazin-2-ylidene]-5-hydroxy-1,4-benzothiazine-3-carboxylic acid
  • trichosiderin B
  • 35394-49-1
  • alpha-Amino-2-(8-(2-amino-2-carboxyethyl)-3-carboxy-5-hydroxy-2H-1,4-benzothiazin-2-ylidene)-3,4-dihydro-5-hydroxy-3-oxo-2H-1,4-benzothiazine-7-propanoic acid
  • Trichochrome B

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
Echinococcus granulosus purine nucleoside phosphorylase 0.0393 0.9489 0.9354
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0195 0.2088 0.1679
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB3 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0224 0.3171 0.2741
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0402 0.9827 0.9817
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0406 1 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0393 0.9489 0.9354
Echinococcus granulosus inosine guanosine and xanthosine phosphorylase 0.0311 0.6439 0.55
Brugia malayi purine nucleoside phosphorylase I, inosine and guanosine-specific family protein 0.0393 0.9489 0.9463
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0177 0.1418 0.0974
Plasmodium falciparum inosine-5'-monophosphate dehydrogenase 0.0402 0.9827 0.5
Schistosoma mansoni purine nucleoside phosphorylase 0.0393 0.9489 0.9354
Echinococcus multilocularis purine nucleoside phosphorylase 0.0393 0.9489 0.9354
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0182 0.159 0.1061
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0177 0.1418 0.0974
Leishmania major mitochondrial DNA polymerase beta 0.0295 0.5831 0.5831
Echinococcus multilocularis purine nucleoside phosphorylase 0.0393 0.9489 0.9354
Mycobacterium ulcerans inosine 5'-monophosphate dehydrogenase 0.0406 1 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.0393 0.9489 0.9354
Echinococcus multilocularis purine nucleoside phosphorylase 0.0311 0.6439 0.55
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0406 1 1
Trypanosoma cruzi GMP reductase 0.0406 1 1
Onchocerca volvulus Purine nucleoside phosphorylase homolog 0.0393 0.9489 1
Brugia malayi GMP reductase 0.0177 0.1418 0.0974
Echinococcus granulosus purine nucleoside phosphorylase 0.0393 0.9489 0.9354
Echinococcus granulosus purine nucleoside phosphorylase 0.0393 0.9489 0.9354
Trypanosoma cruzi GMP reductase 0.0406 1 1
Toxoplasma gondii IMP dehydrogenas 0.0406 1 0.5
Loa Loa (eye worm) TAR-binding protein 0.0195 0.2088 0.1679
Brugia malayi TAR-binding protein 0.0195 0.2088 0.1679
Mycobacterium leprae Probable purine nucleoside phosphorylase DeoD (INOSINE PHOSPHORYLASE) (PNP) 0.0393 0.9489 0.9392
Echinococcus granulosus inosine 5' monophosphate dehydrogenase 2 0.0406 1 1
Trypanosoma brucei inosine-5'-monophosphate dehydrogenase 0.0406 1 1
Schistosoma mansoni purine nucleoside phosphorylase 0.0393 0.9489 0.9354
Echinococcus granulosus purine nucleoside phosphorylase 0.0393 0.9489 0.9354
Echinococcus multilocularis purine nucleoside phosphorylase 0.0393 0.9489 0.9354
Echinococcus multilocularis purine nucleoside phosphorylase 0.0311 0.6439 0.55
Loa Loa (eye worm) GMP reductase 0.0177 0.1418 0.0974
Brugia malayi RNA binding protein 0.0195 0.2088 0.1679
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0295 0.5831 0.5831
Giardia lamblia Purine nucleoside phosphorylase lateral transfer candidate 0.0393 0.9489 0.5
Mycobacterium ulcerans purine nucleoside phosphorylase 0.0393 0.9489 0.9457
Echinococcus multilocularis purine nucleoside phosphorylase 0.0393 0.9489 0.9354
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0406 1 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0393 0.9489 0.9354
Leishmania major guanosine monophosphate reductase 0.0406 1 1
Wolbachia endosymbiont of Brugia malayi IMP dehydrogenase 0.0406 1 0.5
Echinococcus granulosus purine nucleoside phosphorylase 0.0393 0.9489 0.9354
Echinococcus multilocularis purine nucleoside phosphorylase 0.0393 0.9489 0.9354
Leishmania major inosine-5-monophosphate dehydrogenase 0.0406 1 1
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0406 1 1
Onchocerca volvulus Putative GMP reductase 0.0177 0.1418 0.103
Loa Loa (eye worm) hypothetical protein 0.0311 0.6439 0.6255
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena 0.0224 0.3171 0.188
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0295 0.5831 0.5831
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0295 0.5831 0.5831
Schistosoma mansoni inosine-5-monophosphate dehydrogenase 0.0406 1 1
Loa Loa (eye worm) RNA binding protein 0.0195 0.2088 0.1679
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD) 0.0406 1 1
Trypanosoma brucei GMP reductase 0.0406 1 1
Echinococcus multilocularis inosine 5' monophosphate dehydrogenase 2 0.0406 1 1
Mycobacterium tuberculosis Probable purine nucleoside phosphorylase DeoD (inosine phosphorylase) (PNP) 0.0393 0.9489 0.9457
Loa Loa (eye worm) IMP dehydrogenase 1 0.0406 1 1
Plasmodium vivax inosine-5'-monophosphate dehydrogenase, putative 0.0402 0.9827 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0195 0.2088 0.1679
Echinococcus granulosus purine nucleoside phosphorylase 0.0393 0.9489 0.9354
Trichomonas vaginalis purine nucleoside phosphorylase I, putative 0.0393 0.9489 0.5

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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