Detailed information for compound 321727

Basic information

Technical information
  • TDR Targets ID: 321727
  • Name: [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin -1-yl]-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo [4,5-c]pyridin-2-yl)methanone
  • MW: 491.026 | Formula: C22H23ClN4O3S2
  • H donors: 0 H acceptors: 4 LogP: 3.18 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCc2c(C1)nc(s2)C(=O)N1CCN(CC1)S(=O)(=O)c1ccc2c(c1)ccc(c2)Cl
  • InChi: 1S/C22H23ClN4O3S2/c1-25-7-6-20-19(14-25)24-21(31-20)22(28)26-8-10-27(11-9-26)32(29,30)18-5-3-15-12-17(23)4-2-16(15)13-18/h2-5,12-13H,6-11,14H2,1H3
  • InChiKey: LXAHLEBJCBYWKS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [4-[(6-chloro-2-naphthyl)sulfonyl]piperazin-1-yl]-(5-methyl-6,7-dihydro-4H-thiazolo[4,5-c]pyridin-2-yl)methanone
  • [4-[(6-chloro-2-naphthyl)sulfonyl]-1-piperazinyl]-(5-methyl-6,7-dihydro-4H-thiazolo[4,5-c]pyridin-2-yl)methanone
  • [4-[(6-chloro-2-naphthyl)sulfonyl]piperazino]-(5-methyl-6,7-dihydro-4H-thiazolo[4,5-c]pyridin-2-yl)methanone

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens coagulation factor X Starlite/ChEMBL References

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 histone deacetylase 6 0.0059 0.0136 0.0126
Echinococcus multilocularis histone deacetylase 0.0059 0.0136 0.0126
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0324 0.13 1
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.0324 0.13 1
Schistosoma mansoni purine nucleoside phosphorylase 0.0324 0.13 0.1291
Leishmania major nucleoside phosphorylase-like protein 0.0324 0.13 1
Entamoeba histolytica hypothetical protein 0.0324 0.13 1
Schistosoma mansoni histone deacetylase 4 5 0.0059 0.0136 0.0126
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0324 0.13 1
Leishmania major histone deacetylase, putative 0.0059 0.0136 0.0978
Echinococcus granulosus purine nucleoside phosphorylase 0.0324 0.13 0.1291
Echinococcus multilocularis purine nucleoside phosphorylase 0.0324 0.13 0.1291
Echinococcus multilocularis purine nucleoside phosphorylase 0.0324 0.13 0.1291
Trypanosoma brucei histone deacetylase 3 0.0059 0.0136 0.0978
Entamoeba histolytica MTA/SAH nucleosidase, putative 0.0324 0.13 1
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0324 0.13 1
Brugia malayi Histone deacetylase family protein 0.0059 0.0136 0.0126
Echinococcus granulosus histone deacetylase 0.0059 0.0136 0.0126
Echinococcus granulosus purine nucleoside phosphorylase 0.0324 0.13 0.1291
Schistosoma mansoni histone deacetylase hda2 0.0066 0.0163 0.0154
Mycobacterium ulcerans 5'-methylthioadenosine phosphorylase 0.0324 0.13 0.5
Echinococcus granulosus purine nucleoside phosphorylase 0.0324 0.13 0.1291
Toxoplasma gondii Purine nucleoside phosphorylase 0.0324 0.13 1
Plasmodium vivax histone deacetylase 2, putative 0.0059 0.0136 0.0978
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0324 0.13 1
Echinococcus multilocularis histone deacetylase 6 0.0066 0.0163 0.0154
Loa Loa (eye worm) histone deacetylase 7A 0.0059 0.0136 0.0136
Mycobacterium ulcerans purine nucleoside phosphorylase 0.0324 0.13 0.5
Schistosoma mansoni methylthioadenosine phosphorylase 0.0324 0.13 0.1291
Onchocerca volvulus Purine nucleoside phosphorylase homolog 0.0324 0.13 1
Echinococcus granulosus histone deacetylase 7 0.0059 0.0136 0.0126
Plasmodium vivax purine nucleoside phosphorylase, putative 0.0324 0.13 1
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0324 0.13 1
Plasmodium vivax histone deacetylase, putative 0.0059 0.0136 0.0978
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0324 0.13 1
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0324 0.13 1
Mycobacterium leprae probable uridine phosphorylase 0.23 1 1
Loa Loa (eye worm) histone deacetylase 0.0059 0.0136 0.0136
Toxoplasma gondii histone deacetylase HDAC1 0.0059 0.0136 0.0978
Giardia lamblia 5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase 0.0324 0.13 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0324 0.13 0.5
Echinococcus granulosus uridine phosphorylase 1 0.23 1 1
Giardia lamblia 5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase 0.0324 0.13 1
Brugia malayi purine nucleoside phosphorylase I, inosine and guanosine-specific family protein 0.0324 0.13 0.1291
Schistosoma mansoni histone deacetylase 4 5 0.0059 0.0136 0.0126
Trypanosoma brucei histone deacetylase, putative 0.0059 0.0136 0.0978
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0324 0.13 1
Echinococcus granulosus methylthioadenosine phosphorylase 0.0324 0.13 0.1291
Echinococcus multilocularis purine nucleoside phosphorylase 0.0324 0.13 0.1291
Loa Loa (eye worm) hypothetical protein 0.0031 0.0009 0.0009
Trichomonas vaginalis conserved hypothetical protein 0.0324 0.13 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0028 0.0028
Echinococcus granulosus purine nucleoside phosphorylase 0.0324 0.13 0.1291
Mycobacterium tuberculosis Hypothetical protein 0.0324 0.13 0.5
Schistosoma mansoni uridine phosphorylase 0.23 1 1
Echinococcus multilocularis uridine phosphorylase 1 0.23 1 1
Plasmodium falciparum purine nucleoside phosphorylase 0.0324 0.13 1
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0324 0.13 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.0324 0.13 0.1291
Brugia malayi Histone deacetylase family protein 0.0059 0.0136 0.0126
Treponema pallidum uridine phosphorylase (udp) 0.0324 0.13 0.5
Trypanosoma brucei histone deacetylase 4 0.0059 0.0136 0.0978
Echinococcus multilocularis histone deacetylase 6 0.0059 0.0136 0.0126
Plasmodium falciparum histone deacetylase, putative 0.0059 0.0136 0.0978
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0324 0.13 1
Leishmania major methylthioadenosine phosphorylase, putative 0.0324 0.13 1
Schistosoma mansoni purine nucleoside phosphorylase 0.0324 0.13 0.1291
Chlamydia trachomatis AMP nucleosidase 0.0324 0.13 0.5
Echinococcus multilocularis purine nucleoside phosphorylase 0.0324 0.13 0.1291
Loa Loa (eye worm) histone deacetylase 3 0.0031 0.0009 0.0009
Leishmania major histone deacetylase, putative 0.0059 0.0136 0.0978
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0324 0.13 1
Trypanosoma cruzi histone deacetylase, putative 0.0059 0.0136 0.0978
Echinococcus granulosus purine nucleoside phosphorylase 0.0324 0.13 0.1291
Loa Loa (eye worm) S-methyl-5'-thioadenosine phosphorylase MTAP 0.0324 0.13 0.13
Echinococcus multilocularis purine nucleoside phosphorylase 0.0324 0.13 0.1291
Mycobacterium tuberculosis Probable bifunctional MTA/SAH nucleosidase Mtn: 5'-methylthioadenosine nucleosidase (methylthioadenosine methylthioribohydrolase 0.0324 0.13 0.5
Toxoplasma gondii phosphorylase family protein 0.0324 0.13 1
Trypanosoma cruzi histone deacetylase, putative 0.0059 0.0136 0.0978
Loa Loa (eye worm) histone deacetylase 1 0.0031 0.0009 0.0009
Echinococcus multilocularis histone deacetylase 6 0.0059 0.0136 0.0126
Trichomonas vaginalis purine nucleoside phosphorylase I, putative 0.0324 0.13 1
Loa Loa (eye worm) uridine phosphorylase 0.23 1 1
Loa Loa (eye worm) histone deacetylase 11 0.0031 0.0009 0.0009
Giardia lamblia Purine nucleoside phosphorylase lateral transfer candidate 0.0324 0.13 1
Trypanosoma brucei methylthioadenosine phosphorylase, putative 0.0324 0.13 1
Echinococcus granulosus histone deacetylase 6 0.0066 0.0163 0.0154
Echinococcus granulosus purine nucleoside phosphorylase 0.0324 0.13 0.1291
Trichomonas vaginalis conserved hypothetical protein 0.0324 0.13 1
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0324 0.13 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0324 0.13 0.1291
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0324 0.13 1
Echinococcus multilocularis histone deacetylase 7 0.0059 0.0136 0.0126
Schistosoma mansoni methylthioadenosine phosphorylase 0.0324 0.13 0.1291
Giardia lamblia UPL-1 0.0324 0.13 1
Toxoplasma gondii phosphorylase family protein 0.0324 0.13 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0324 0.13 0.1291
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.0324 0.13 1
Echinococcus granulosus histone deacetylase 6 0.0059 0.0136 0.0126
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0324 0.13 1
Echinococcus multilocularis methylthioadenosine phosphorylase 0.0324 0.13 0.1291
Schistosoma mansoni methylthioadenosine phosphorylase 0.0324 0.13 0.1291
Treponema pallidum pfs protein (pfs) 0.0324 0.13 0.5
Mycobacterium ulcerans bifunctional Mta/Sah nucleosidase Mtn 0.0324 0.13 0.5
Treponema pallidum purine nucleoside phosphorylase (deoD) 0.0324 0.13 0.5
Trypanosoma cruzi histone deacetylase, putative 0.0059 0.0136 0.0978
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0324 0.13 1
Trypanosoma brucei uridine phosphorylase 0.0324 0.13 1
Mycobacterium tuberculosis Probable purine nucleoside phosphorylase DeoD (inosine phosphorylase) (PNP) 0.0324 0.13 0.5
Brugia malayi MTAP 0.0324 0.13 0.1291
Schistosoma mansoni uridine phosphorylase 0.23 1 1
Plasmodium falciparum histone deacetylase 2 0.0059 0.0136 0.0978
Loa Loa (eye worm) hypothetical protein 0.0031 0.0009 0.0009

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 210 nM Inhibitory concentration against Coagulation factor X ChEMBL. 15456260
IC50 (binding) = 210 nM Inhibitory concentration against Coagulation factor X ChEMBL. 15456260

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.

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