Detailed information for compound 256840

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 260.269 | Formula: C12H8N2O3S
  • H donors: 1 H acceptors: 3 LogP: 1.2 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cc2c(s1)c(=O)n1c(n2)ccc(c1)C(=O)O
  • InChi: 1S/C12H8N2O3S/c1-6-4-8-10(18-6)11(15)14-5-7(12(16)17)2-3-9(14)13-8/h2-5H,1H3,(H,16,17)
  • InChiKey: RKOJUOBKNYHIQQ-UHFFFAOYSA-N  

Network

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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
Giardia lamblia Prenyltransferase 0.133 0.9179 0.904
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.1096 0.5424 0.5325
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.1381 1 1
Plasmodium vivax farnesyltransferase beta subunit, putative 0.133 0.9179 0.897
Echinococcus granulosus geranylgeranyl transferase type I beta subunit 0.1096 0.5424 0.2728
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.1096 0.5424 0.2728
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.1096 0.5424 0.2728
Trypanosoma cruzi protein farnesyltransferase, putative 0.133 0.9179 1
Echinococcus granulosus protein farnesyltransferase subunit beta 0.133 0.9179 0.8696
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.1381 1 1
Echinococcus multilocularis protein farnesyltransferase subunit beta 0.133 0.9179 0.8696
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.133 0.9179 0.9162
Trichomonas vaginalis type I geranylgeranyltransferase beta subunit, putative 0.133 0.9179 0.9162
Schistosoma mansoni protein farnesyltransferase alpha subunit 0.1381 1 1
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein 0.133 0.9179 1
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.133 0.9179 0.9162
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.133 0.9179 0.9162
Leishmania major rac serine-threonine kinase, putative,protein kinase, putative 0.0848 0.1451 0.1581
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.133 0.9179 0.904
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.1096 0.5424 0.4648
Echinococcus multilocularis geranylgeranyl transferase type I beta subunit 0.1096 0.5424 0.2728
Schistosoma mansoni protein farnesyltransferase subunit beta 0.133 0.9179 0.8696
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.133 0.9179 0.8696
Echinococcus multilocularis protein farnesyltransferase alpha subunit 0.1381 1 1
Giardia lamblia Rab geranylgeranyltransferase 0.1381 1 1
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 0.1381 1 1
Loa Loa (eye worm) hypothetical protein 0.1381 1 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.1381 1 1
Mycobacterium tuberculosis Halimadienyl diphosphate synthase 0.1203 0.7144 0.5
Plasmodium falciparum protein farnesyltransferase subunit alpha 0.1381 1 1
Plasmodium vivax prenyltransferase alpha subunit, putative 0.1381 1 1
Trypanosoma cruzi protein farnesyltransferase, putative 0.133 0.9179 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.1381 1 1
Leishmania major farnesyltransferase beta subunit 0.133 0.9179 1
Echinococcus granulosus protein farnesyltransferase alpha subunit 0.1381 1 1
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.133 0.9179 0.9162
Trichomonas vaginalis geranylgeranyl transferase type beta subunit, putative 0.133 0.9179 0.9162
Trypanosoma brucei protein farnesyltransferase beta subunit 0.133 0.9179 1
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.1096 0.5424 0.2728
Entamoeba histolytica protein farnesyltransferase beta subunit, putative 0.133 0.9179 0.8206

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 61 % Antiallergic activity in the rat passive cutaneous anaphylaxis (PCA) model after intraperitoneal administration at a dose 5 mg/kg ChEMBL. 6142956

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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