Detailed information for compound 954285

Basic information

Technical information
  • TDR Targets ID: 954285
  • Name: 3-methyl-5-(naphthalen-2-ylmethylidene)-2-sul fanylidene-1,3-thiazolidin-4-one
  • MW: 285.384 | Formula: C15H11NOS2
  • H donors: 0 H acceptors: 1 LogP: 4.23 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: S=C1S/C(=C\c2ccc3c(c2)cccc3)/C(=O)N1C
  • InChi: 1S/C15H11NOS2/c1-16-14(17)13(19-15(16)18)9-10-6-7-11-4-2-3-5-12(11)8-10/h2-9H,1H3/b13-9-
  • InChiKey: KWIMSIITCVUUPX-LCYFTJDESA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (5Z)-3-methyl-5-(naphthalen-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
  • (5Z)-3-methyl-5-(2-naphthylmethylene)-2-thioxo-thiazolidin-4-one
  • 3-methyl-5-(2-naphthylmethylene)-2-thioxo-thiazolidin-4-one
  • (5Z)-3-methyl-5-(2-naphthylmethylene)-2-thioxo-4-thiazolidinone
  • 3-methyl-5-(2-naphthylmethylene)-2-thioxo-4-thiazolidinone
  • ZINC01206161

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus N-acetyltransferase 2 (arylamine N-acetyltransferase) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium ulcerans arylamine N-acetyltransferase Nat Get druggable targets OG5_131280 All targets in OG5_131280
Mycobacterium tuberculosis Arylamine N-acetyltransferase Nat (arylamine acetylase) Get druggable targets OG5_131280 All targets in OG5_131280
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 leukotriene A 4 hydrolase 0.0104 0.0613 0.0613
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.0151 0.1104 1
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0295 0.2611 0.2431
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0295 0.2611 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0295 0.2611 0.2611
Loa Loa (eye worm) peptidase family M1 containing protein 0.081 0.8001 0.8959
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0104 0.0613 0.0613
Loa Loa (eye worm) TATA binding protein associated factor 0.0104 0.0613 0.0553
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0145 0.1045 0.3399
Echinococcus multilocularis poly (adp ribose) polymerase 2 0.008 0.0362 0.0127
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0295 0.2611 0.2611
Brugia malayi WGR domain containing protein 0.008 0.0362 0.0127
Loa Loa (eye worm) aminopeptidase N 0.0295 0.2611 0.2827
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0104 0.0613 0.0553
Echinococcus multilocularis poly (ADP ribose) polymerase 1 0.0145 0.1045 0.0826
Loa Loa (eye worm) hypothetical protein 0.0191 0.1528 0.1594
Loa Loa (eye worm) hypothetical protein 0.0104 0.0613 0.0553
Schistosoma mansoni family M1 non-peptidase homologue (M01 family) 0.0191 0.1528 0.5433
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0295 0.2611 0.2431
Toxoplasma gondii aminopeptidase N, putative 0.0104 0.0613 0.4323
Echinococcus granulosus casein kinase ii subunit alpha 0.0068 0.0238 0.0238
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0295 0.2611 1
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0104 0.0613 0.1578
Plasmodium falciparum M1-family alanyl aminopeptidase 0.0104 0.0613 1
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0295 0.2611 1
Schistosoma mansoni aminopeptidase A (M01 family) 0.0104 0.0613 0.1578
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0104 0.0613 0.1578
Trypanosoma cruzi aminopeptidase, putative 0.0104 0.0613 0.1578
Brugia malayi Peptidase family M1 containing protein 0.0104 0.0613 0.0384
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0104 0.0613 0.1578
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0295 0.2611 1
Loa Loa (eye worm) hypothetical protein 0.0104 0.0613 0.0553
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0191 0.1528 0.1321
Echinococcus multilocularis leukotriene A 4 hydrolase 0.0104 0.0613 0.0384
Plasmodium falciparum M1-family alanyl aminopeptidase, putative 0.0104 0.0613 1
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0104 0.0613 0.1578
Giardia lamblia Kinase, CMGC CK2 0.0068 0.0238 0.5
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0295 0.2611 1
Trypanosoma cruzi poly(ADP-ribose) polymerase, putative 0.008 0.0362 0.0521
Toxoplasma gondii aminopeptidase N protein 0.0104 0.0613 0.4323
Loa Loa (eye worm) hypothetical protein 0.0898 0.8916 1
Entamoeba histolytica poly(ADP-ribose) polymerase, putative 0.0145 0.1045 0.3399
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0104 0.0613 1
Mycobacterium ulcerans arylamine N-acetyltransferase Nat 0.0763 0.7508 1
Brugia malayi hypothetical protein 0.0104 0.0613 0.0384
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0295 0.2611 1
Toxoplasma gondii aminopeptidase n, putative 0.0104 0.0613 0.4323
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0295 0.2611 1
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0069 0.025 0.0047
Brugia malayi TATA binding protein associated factor 0.0104 0.0613 0.0384
Mycobacterium tuberculosis Arylamine N-acetyltransferase Nat (arylamine acetylase) 0.0763 0.7508 0.5
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0295 0.2611 0.2431
Echinococcus granulosus aminopeptidase N 0.1001 1 1
Trypanosoma brucei aminopeptidase, putative 0.0104 0.0613 0.1578
Brugia malayi WGR domain containing protein 0.0145 0.1045 0.0826
Loa Loa (eye worm) hypothetical protein 0.0191 0.1528 0.1594
Loa Loa (eye worm) hypothetical protein 0.008 0.0362 0.0268
Onchocerca volvulus 0.1001 1 1
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0104 0.0613 1
Loa Loa (eye worm) hypothetical protein 0.0104 0.0613 0.0553
Loa Loa (eye worm) CMGC/CK2 protein kinase 0.0068 0.0238 0.0127
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0295 0.2611 0.2611
Brugia malayi hypothetical protein 0.0295 0.2611 0.2431
Mycobacterium ulcerans aminopeptidase N PepN 0.0295 0.2611 0.2898
Trypanosoma cruzi aminopeptidase, putative 0.0295 0.2611 1
Loa Loa (eye worm) hypothetical protein 0.011 0.0683 0.0633
Trypanosoma cruzi poly(ADP-ribose) polymerase, putative 0.008 0.0362 0.0521
Trypanosoma brucei Aminopeptidase M1, putative 0.0295 0.2611 1
Entamoeba histolytica aminopeptidase, putative 0.0295 0.2611 1
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0104 0.0613 0.1578
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0295 0.2611 0.2611
Trypanosoma brucei Aminopeptidase M1, putative 0.0295 0.2611 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0104 0.0613 0.0613
Echinococcus granulosus poly adp ribose polymerase 2 0.008 0.0362 0.0362
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0104 0.0613 0.1578
Trypanosoma brucei poly(adp-ribose) polymerase 0.008 0.0362 0.0521
Brugia malayi Peptidase family M1 containing protein 0.0295 0.2611 0.2431
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0295 0.2611 0.2431
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0191 0.1528 0.5433
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0104 0.0613 0.1578
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0295 0.2611 1
Loa Loa (eye worm) hypothetical protein 0.0707 0.6918 0.7726
Onchocerca volvulus 0.0295 0.2611 0.2129
Schistosoma mansoni poly [ADP-ribose] polymerase 0.008 0.0362 0.0521
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0295 0.2611 0.2431
Trypanosoma cruzi Aminopeptidase M1, putative 0.0295 0.2611 1
Echinococcus granulosus poly ADP ribose polymerase 1 0.0145 0.1045 0.1045
Echinococcus multilocularis aminopeptidase N 0.1001 1 1
Schistosoma mansoni Tata binding protein associated factor (M01 family) 0.0104 0.0613 0.1578
Leishmania major puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0104 0.0613 0.1578
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0295 0.2611 0.2431

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 4.7 uM Inhibition of mouse recombinant NAT2 assessed as hydrolysis of acetyl coA using PABA as substrate by Ellman's method ChEMBL. 19059786

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

1 literature reference was collected for this gene.

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