TDR Targets

Basic information

Technical information

TDR Targets ID: 1572997
Name: 1-(1H-indol-5-ylsulfonyl)piperidine-4-carboxy lic acid
MW: 308.353 | Formula: C14H16N2O4S
H donors: 2 H acceptors: 4 LogP: 1.22 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)C1CCN(CC1)S(=O)(=O)c1ccc2c(c1)cc[nH]2
InChi: 1S/C14H16N2O4S/c17-14(18)10-4-7-16(8-5-10)21(19,20)12-1-2-13-11(9-12)3-6-15-13/h1-3,6,9-10,15H,4-5,7-8H2,(H,17,18)
InChiKey: RTFGDSVLHUROLH-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

1-(1H-indol-5-ylsulfonyl)-4-piperidinecarboxylic acid
1-(1H-indol-5-ylsulfonyl)isonipecotic acid

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	TAR DNA binding protein	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA recognition motif domain containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus granulosus	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma brucei	heat shock protein 90, putative	0.0168	1	1
Leishmania major	heat shock protein 83-1	0.0168	1	1
Echinococcus multilocularis	heat shock protein 75 kDa, mitochondrial	0.0069	0.0521	0.0521
Brugia malayi	Hsp90 protein	0.0069	0.0521	0.0521
Loa Loa (eye worm)	heat shock protein 75	0.0069	0.0521	0.0521
Leishmania major	heat shock protein 83-1	0.0168	1	1
Schistosoma mansoni	endoplasmin	0.0168	1	1
Echinococcus granulosus	heat shock protein 90	0.0134	0.673	0.673
Leishmania major	heat shock protein 83-1	0.0168	1	1
Trypanosoma brucei	heat shock protein, putative	0.0168	1	1
Trypanosoma brucei	heat shock protein 90, putative	0.0168	1	1
Brugia malayi	TAR-binding protein	0.0076	0.1252	0.1252
Trypanosoma brucei	heat shock protein, putative	0.0168	1	1
Schistosoma mansoni	endoplasmin	0.0168	1	1
Leishmania major	heat shock protein 83-1	0.0168	1	1
Trichomonas vaginalis	heat shock protein, putative	0.0134	0.673	0.655
Trypanosoma brucei	heat shock protein, putative	0.0168	1	1
Trypanosoma cruzi	heat shock protein 85, putative	0.0168	1	1
Plasmodium falciparum	heat shock protein 90	0.0168	1	1
Leishmania major	heat shock protein 83-1	0.0168	1	1
Echinococcus multilocularis	heat shock protein 90	0.0168	1	1
Toxoplasma gondii	heat shock protein 90, putative	0.0168	1	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0076	0.1252	0.1252
Treponema pallidum	heat shock protein 90	0.0134	0.673	0.5
Leishmania major	heat shock protein 83-1	0.0168	1	1
Loa Loa (eye worm)	endoplasmin	0.0168	1	1
Loa Loa (eye worm)	TAR-binding protein	0.0076	0.1252	0.1252
Leishmania major	heat shock protein 83-1	0.0168	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.1252	0.1252
Trypanosoma cruzi	heat shock protein 85, putative	0.0134	0.673	0.655
Mycobacterium tuberculosis	Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G)	0.0134	0.673	0.5
Schistosoma mansoni	heat shock protein	0.0168	1	1
Trypanosoma brucei	heat shock protein, putative	0.0168	1	1
Schistosoma mansoni	heat shock protein	0.0069	0.0521	0.0521
Leishmania major	heat shock protein 83-1	0.0168	1	1
Echinococcus multilocularis	heat shock protein 90	0.0134	0.673	0.673
Brugia malayi	RNA binding protein	0.0076	0.1252	0.1252
Trypanosoma cruzi	heat shock protein 90, putative	0.0099	0.342	0.3058
Leishmania major	heat shock protein 83-1	0.0168	1	1
Trypanosoma cruzi	heat shock protein 85, putative	0.0168	1	1
Leishmania major	heat shock protein 83-1	0.0168	1	1
Plasmodium vivax	endoplasmin, putative	0.0168	1	1
Echinococcus granulosus	heat shock protein 75 kDa mitochondrial	0.0069	0.0521	0.0521
Leishmania major	heat shock protein 83-1	0.0168	1	1
Trypanosoma brucei	heat shock protein, putative	0.0168	1	1
Trypanosoma cruzi	heat shock protein 90, putative	0.0168	1	1
Mycobacterium leprae	PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G)	0.0134	0.673	0.5
Toxoplasma gondii	heat shock protein HSP90	0.0168	1	1
Loa Loa (eye worm)	heat shock protein 90	0.0168	1	1
Trypanosoma brucei	heat shock protein, putative	0.0168	1	1
Entamoeba histolytica	heat shock protein 90, putative	0.0168	1	1
Echinococcus granulosus	heat shock protein 90	0.0168	1	1
Trypanosoma brucei	heat shock protein, putative	0.0168	1	1
Echinococcus granulosus	endoplasmin	0.0134	0.673	0.673
Onchocerca volvulus	Heat shock protein 75 kDa, mitochondrial homolog	0.0069	0.0521	1
Leishmania major	lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative	0.0134	0.673	0.655
Plasmodium vivax	heat shock protein 86, putative	0.0168	1	1
Leishmania major	heat shock protein 83-1	0.0168	1	1
Trichomonas vaginalis	endoplasmin, putative	0.0103	0.3792	0.345
Leishmania major	heat shock protein 83-1	0.0168	1	1
Brugia malayi	RNA recognition motif domain containing protein	0.0076	0.1252	0.1252
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0168	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.1252	0.1252
Trichomonas vaginalis	heat shock protein, putative	0.0168	1	1
Echinococcus granulosus	tar DNA binding protein	0.0076	0.1252	0.1252
Echinococcus granulosus	heat shock protein	0.0168	1	1
Echinococcus granulosus	heat shock protein heat shock protein 90 alpha	0.0134	0.673	0.673
Trichomonas vaginalis	heat shock protein, putative	0.0134	0.673	0.655
Trichomonas vaginalis	heat shock protein, putative	0.0134	0.673	0.655
Echinococcus multilocularis	tar DNA binding protein	0.0076	0.1252	0.1252
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.1252	0.1252
Plasmodium falciparum	endoplasmin, putative	0.0103	0.3792	0.345
Trypanosoma brucei	heat shock protein, putative	0.0168	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.1252	0.1252
Leishmania major	heat shock protein 83-1	0.0168	1	1
Entamoeba histolytica	heat shock protein 90, putative	0.0168	1	1
Trypanosoma cruzi	heat shock protein 90, putative	0.0134	0.673	0.655
Loa Loa (eye worm)	RNA binding protein	0.0076	0.1252	0.1252
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.1252	0.1252
Trypanosoma brucei	Heat shock protein 83, putative	0.0168	1	1
Echinococcus multilocularis	endoplasmin	0.0134	0.673	0.673
Wolbachia endosymbiont of Brugia malayi	heat shock protein 90	0.0134	0.673	0.5
Schistosoma mansoni	heat shock protein	0.0168	1	1
Echinococcus multilocularis	heat shock protein	0.0168	1	1
Leishmania major	heat shock protein 83-1	0.0168	1	1
Leishmania major	heat shock protein 83-1	0.0168	1	1
Trypanosoma cruzi	Heat shock protein 83, putative	0.0168	1	1
Mycobacterium ulcerans	heat shock protein 90	0.0134	0.673	0.5
Leishmania major	heat shock protein 83-1	0.0168	1	1
Trichomonas vaginalis	heat shock protein, putative	0.0103	0.3792	0.345
Trypanosoma cruzi	heat shock protein 85, putative	0.0168	1	1
Brugia malayi	heat shock protein 90	0.0168	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	3.5481 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	3.5481 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23

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

ChEMBL: CHEMBL1898343

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.

Detailed information for compound 1572997