Detailed information for compound 1851561

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 277.299 | Formula: C12H11N3O3S
  • H donors: 2 H acceptors: 4 LogP: -0.12 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC1CC(C=C1)n1cc(c2cncs2)c(=O)[nH]c1=O
  • InChi: 1S/C12H11N3O3S/c16-8-2-1-7(3-8)15-5-9(10-4-13-6-19-10)11(17)14-12(15)18/h1-2,4-8,16H,3H2,(H,14,17,18)
  • InChiKey: XPYYUQKIFLBYFQ-UHFFFAOYSA-N  


Substructure search Similarity search

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
Trypanosoma cruzi glycerol uptake protein, putative 0.0136 0 0.5
Plasmodium falciparum diacylglycerol O-acyltransferase 0.0136 0 0.5
Trypanosoma cruzi glycerol uptake protein, putative 0.0136 0 0.5
Trichomonas vaginalis transmembrane protein nessy, putative 0.0136 0 0.5
Trypanosoma cruzi GUP1, putative 0.0136 0 0.5
Leishmania major glycerol uptake protein, putative 0.0136 0 0.5
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.1272 0.7854 0.5
Entamoeba histolytica hypothetical protein, conserved 0.0136 0 0.5
Leishmania major glycerol uptake protein, putative 0.0136 0 0.5
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0136 0 0.5
Leishmania major glycerol uptake protein, putative 0.0136 0 0.5
Trichomonas vaginalis porcupine, putative 0.0136 0 0.5
Trypanosoma brucei glycerol uptake protein, putative 0.0136 0 0.5
Onchocerca volvulus 0.0136 0 0.5
Leishmania major glycerol uptake protein, putative 0.0136 0 0.5
Trypanosoma cruzi GUP1, putative 0.0136 0 0.5
Toxoplasma gondii hypothetical protein 0.0136 0 0.5
Loa Loa (eye worm) MBOAT family protein 0.1583 1 1
Plasmodium vivax diacylglycerol O-acyltransferase, putative 0.0136 0 0.5
Schistosoma mansoni zinc finger protein 0.1583 1 1
Trypanosoma brucei glycerol uptake protein, putative 0.0136 0 0.5
Trypanosoma cruzi glycerol uptake protein, putative 0.0136 0 0.5
Entamoeba histolytica vacuolar protein sorting 26 0.0136 0 0.5
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0136 0 0.5
Leishmania major glycerol uptake protein, putative 0.0136 0 0.5
Echinococcus multilocularis zinc finger protein 0.1447 0.9057 0.9057
Toxoplasma gondii acyl-CoA:diacylglycerol acyltransferase 1-related enzyme 0.0136 0 0.5
Treponema pallidum alginate O-acetylation protein (algI) 0.0136 0 0.5
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0136 0 0.5
Toxoplasma gondii acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha 0.0136 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0136 0 0.5
Entamoeba histolytica hypothetical protein 0.0136 0 0.5
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.1183 0.7234 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0136 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0136 0 0.5
Leishmania major hypothetical protein, conserved 0.0136 0 0.5
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.1272 0.7854 0.5
Echinococcus granulosus protein cysteine N palmitoyltransferase 0.1583 1 1
Echinococcus granulosus zinc finger protein 0.1447 0.9057 0.9057
Echinococcus multilocularis protein cysteine N palmitoyltransferase 0.1583 1 1

Activities

Activity type Activity value Assay description Source Reference
MCC (ADMET) >= 100 uM Cytotoxicity against human HEL cells assessed as concentration required to cause microscopically visible alternation of cell morphology ChEMBL. 24312722

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.