Detailed information for compound 1759546

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 485.381 | Formula: C21H22Cl2N2O5S
  • H donors: 3 H acceptors: 4 LogP: 2.97 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC[C@H]1O[C@H](C=C[C@H]1NS(=O)(=O)c1ccccc1)CC(=O)NCc1ccc(c(c1)Cl)Cl
  • InChi: 1S/C21H22Cl2N2O5S/c22-17-8-6-14(10-18(17)23)12-24-21(27)11-15-7-9-19(20(13-26)30-15)25-31(28,29)16-4-2-1-3-5-16/h1-10,15,19-20,25-26H,11-13H2,(H,24,27)/t15-,19-,20-/m1/s1
  • InChiKey: LRDWIZFOJOHHOT-CDHQVMDDSA-N  

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

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 snurportin 1 0.0303 0.1739 0.1739
Entamoeba histolytica s phingosine-1-phosphate lyase 1, putative 0.1607 1 0.5
Brugia malayi Aromatic-L-amino-acid decarboxylase 0.0184 0.0985 0.0985
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0 0.5
Echinococcus granulosus sphingosine 1 phosphate lyase 1 0.1607 1 1
Echinococcus multilocularis sphingosine 1 phosphate lyase 1 0.1607 1 1
Echinococcus multilocularis pyridoxal dependent decarboxylase 0.0184 0.0985 0.0985
Loa Loa (eye worm) glutamate decarboxylase GAD1 0.0184 0.0985 0.0985
Echinococcus granulosus short transient receptor potential channel 6 0.0063 0.022 0.022
Trichomonas vaginalis group II pyridoxal-5-phosphate decarboxylase, putative 0.0184 0.0985 0.5
Brugia malayi biogenic amine synthesis related protein 1 0.0184 0.0985 0.0985
Mycobacterium ulcerans glutamate decarboxylase 0.0184 0.0985 0.5
Brugia malayi glutamate decarboxylase putative 0.0184 0.0985 0.0985
Brugia malayi Pyridoxal-dependent decarboxylase conserved domain containing protein 0.0184 0.0985 0.0985
Loa Loa (eye worm) hypothetical protein 0.0036 0.0045 0.0045
Plasmodium vivax importin-beta 2, putative 0.0028 0 0.5
Echinococcus multilocularis snurportin 1 0.0303 0.1739 0.1739
Schistosoma mansoni transient receptor potential channel 0.0096 0.0425 0.0425
Schistosoma mansoni transient receptor potential channel 4 0.0096 0.0425 0.0425
Echinococcus granulosus aromatic amino acid decarboxylase 0.0184 0.0985 0.0985
Echinococcus multilocularis short transient receptor potential channel 6 0.0063 0.022 0.022
Echinococcus multilocularis transient receptor potential gamma protein 0.0096 0.0425 0.0425
Loa Loa (eye worm) hypothetical protein 0.0184 0.0985 0.0985
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0303 0.1739 0.1739
Trypanosoma brucei sphingosine 1-phosphate lyase, putative 0.1607 1 1
Loa Loa (eye worm) hypothetical protein 0.1607 1 1
Leishmania major sphingosine 1-phosphate lyase 0.1607 1 1
Brugia malayi RNA, U transporter 1 0.0081 0.0331 0.0331
Trypanosoma cruzi sphingosine 1-phosphate lyase, putative 0.1607 1 1
Echinococcus granulosus short transient receptor potential channel 6 0.0063 0.022 0.022
Mycobacterium ulcerans glutamate decarboxylase 0.0184 0.0985 0.5
Echinococcus granulosus pyridoxal dependent decarboxylase 0.0184 0.0985 0.0985
Schistosoma mansoni transient receptor potential channel 0.0063 0.022 0.022
Loa Loa (eye worm) TDC-1 protein 0.0184 0.0985 0.0985
Echinococcus multilocularis short transient receptor potential channel 6 0.0063 0.022 0.022
Echinococcus multilocularis aromatic amino acid decarboxylase 0.0184 0.0985 0.0985
Schistosoma mansoni hypothetical protein 0.0303 0.1739 0.1739
Brugia malayi Transient-receptor-potential like protein 0.0036 0.0045 0.0045
Echinococcus multilocularis transient receptor potential ion channel A 0.0092 0.0405 0.0405
Loa Loa (eye worm) hypothetical protein 0.006 0.02 0.02
Loa Loa (eye worm) aromatic L-amino acid decarboxylase 0.0184 0.0985 0.0985
Mycobacterium tuberculosis Probable glutamate decarboxylase GadB 0.0184 0.0985 0.5
Echinococcus granulosus transient receptor potential ion channel A 0.0092 0.0405 0.0405
Plasmodium falciparum importin beta, putative 0.0028 0 0.5
Schistosoma mansoni transient receptor potential channel 0.0063 0.022 0.022
Echinococcus granulosus transient receptor potential gamma protein 0.0096 0.0425 0.0425
Echinococcus multilocularis TRP (transient receptor potential) channel 0.0036 0.0045 0.0045
Brugia malayi glutamate decarboxylase, 67 kDa isoform 0.0184 0.0985 0.0985
Loa Loa (eye worm) hypothetical protein 0.0096 0.0425 0.0425
Trypanosoma cruzi sphingosine 1-phosphate lyase, putative 0.1607 1 1
Schistosoma mansoni phenylalanine decarboxylase 0.0184 0.0985 0.0985
Schistosoma mansoni phenylalanine decarboxylase 0.0184 0.0985 0.0985
Loa Loa (eye worm) hypothetical protein 0.0032 0.0025 0.0025
Loa Loa (eye worm) sphingosine-1-phosphate lyase 1 0.0184 0.0985 0.0985
Echinococcus granulosus TRP transient receptor potential channel 0.0036 0.0045 0.0045
Schistosoma mansoni phenylalanine decarboxylase 0.0184 0.0985 0.0985
Trypanosoma brucei Pyridoxal-dependent decarboxylase conserved domain containing protein, putative 0.0184 0.0985 0.0985
Schistosoma mansoni phenylalanine decarboxylase 0.0184 0.0985 0.0985
Schistosoma mansoni sphingosine phosphate lyase 0.1607 1 1

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.

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