TDR Targets

Basic information

Technical information

TDR Targets ID: 1409697
Name: N-[2-(thiophen-2-ylsulfonylamino)ethyl]thioph ene-2-sulfonamide
MW: 352.473 | Formula: C10H12N2O4S4
H donors: 2 H acceptors: 4 LogP: 1.58 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: O=S(=O)(c1cccs1)NCCNS(=O)(=O)c1cccs1
InChi: 1S/C10H12N2O4S4/c13-19(14,9-3-1-7-17-9)11-5-6-12-20(15,16)10-4-2-8-18-10/h1-4,7-8,11-12H,5-6H2
InChiKey: VASNCUUCJVLFEQ-UHFFFAOYSA-N

Network

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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

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Clustering layers

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Synonyms

N-[2-(2-thienylsulfonylamino)ethyl]thiophene-2-sulfonamide
N-[2-(2-thienylsulfonylamino)ethyl]-2-thiophenesulfonamide
A3134/0132495
MLS000090410
N-{2-[(thien-2-ylsulfonyl)amino]ethyl}thiophene-2-sulfonamide
SMR000025020
ZINC02492165

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	glycoprotein hormones, alpha polypeptide	Starlite/ChEMBL	No references
Homo sapiens	cytochrome P450, family 2, subfamily C, polypeptide 9	Starlite/ChEMBL	No references
Homo sapiens	cytochrome P450, family 2, subfamily C, polypeptide 19	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126582	All targets in OG5_126582
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126582	All targets in OG5_126582

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Leishmania major	cytochrome p450-like protein	cytochrome P450, family 2, subfamily C, polypeptide 19	490 aa	411 aa	23.1 %
Toxoplasma gondii	intraflagellar transport protein 172, putative	glycoprotein hormones, alpha polypeptide	116 aa	94 aa	26.6 %
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	cytochrome P450, family 2, subfamily C, polypeptide 9	490 aa	441 aa	21.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0178	0.1489	0.1489
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0378	1	1
Brugia malayi	nuclear receptor RXR	0.02	0.24	0.1071
Loa Loa (eye worm)	hypothetical protein	0.0178	0.1489	0.1489
Loa Loa (eye worm)	hypothetical protein	0.02	0.24	0.24
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0378	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0378	1	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0378	1	1
Onchocerca volvulus		0.0378	1	1
Loa Loa (eye worm)	hypothetical protein	0.02	0.24	0.24
Loa Loa (eye worm)	hypothetical protein	0.0178	0.1489	0.1489
Onchocerca volvulus		0.0178	0.1489	0.1489
Loa Loa (eye worm)	hypothetical protein	0.0378	1	1
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0378	1	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0378	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0378	1	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0378	1	1
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0378	1	1
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0178	0.1489	0.1489
Mycobacterium ulcerans	glutamine synthetase	0.0143	0	0.5
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.02	0.24	0.1071
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0378	1	1
Plasmodium falciparum	glutamine synthetase, putative	0.0143	0	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0378	1	1
Onchocerca volvulus		0.0178	0.1489	0.1489
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.02	0.24	0.1071
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0378	1	1
Loa Loa (eye worm)	hypothetical protein	0.0378	1	1
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0378	1	1
Loa Loa (eye worm)	hypothetical protein	0.0378	1	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.02	0.24	0.1071
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0378	1	1
Trypanosoma cruzi	glutamine synthetase, putative	0.0223	0.339	0.5
Echinococcus granulosus	ecdysone induced protein 78C	0.0378	1	1
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0378	1	1
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.02	0.24	0.24
Loa Loa (eye worm)	hypothetical protein	0.0178	0.1489	0.1489
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0378	1	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0378	1	1
Loa Loa (eye worm)	hypothetical protein	0.0178	0.1489	0.1489
Loa Loa (eye worm)	hypothetical protein	0.0178	0.1489	0.1489
Loa Loa (eye worm)	hypothetical protein	0.0378	1	1
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0178	0.1489	0.1489
Loa Loa (eye worm)	hypothetical protein	0.0378	1	1
Brugia malayi	photoreceptor-specific nuclear receptor	0.0378	1	1
Loa Loa (eye worm)	hypothetical protein	0.02	0.24	0.24
Loa Loa (eye worm)	hypothetical protein	0.02	0.24	0.24
Loa Loa (eye worm)	hypothetical protein	0.0178	0.1489	0.1489
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0378	1	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0378	1	1
Echinococcus multilocularis	FTZ F1 alpha	0.0378	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0378	1	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0378	1	1
Schistosoma mansoni	coup transcription factor	0.0378	1	1
Mycobacterium ulcerans	glutamine synthetase GlnA1	0.0143	0	0.5
Schistosoma mansoni	thyroid hormone receptor	0.0378	1	1
Loa Loa (eye worm)	nuclear hormone receptor	0.0178	0.1489	0.1489
Schistosoma mansoni	retinoic acid receptor RXR	0.0378	1	1
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0378	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0378	1	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0378	1	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0378	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0378	1	1
Loa Loa (eye worm)	DR-78	0.0178	0.1489	0.1489
Onchocerca volvulus	Bile acid receptor homolog	0.0378	1	1
Loa Loa (eye worm)	hypothetical protein	0.0178	0.1489	0.1489
Echinococcus granulosus	FTZ F1 alpha	0.0378	1	1
Loa Loa (eye worm)	hypothetical protein	0.0178	0.1489	0.1489
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0378	1	1
Brugia malayi	steroid hormone receptor	0.0378	1	1
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0378	1	1
Brugia malayi	Steroid receptor seven-up type 2	0.0378	1	1
Onchocerca volvulus	Protein ultraspiracle homolog	0.0378	1	1
Brugia malayi	nuclear hormone receptor	0.0378	1	1
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0378	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0378	1	1
Leishmania major	glutamine synthetase, putative	0.0223	0.339	0.5
Schistosoma mansoni	glutamine synthetase 1 2 (glutamate-amonia ligase) (gs)	0.0223	0.339	0.2234
Trypanosoma cruzi	glutamine synthetase, putative	0.0223	0.339	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0378	1	1
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0378	1	1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0378	1	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0378	1	1
Brugia malayi	hypothetical protein	0.02	0.24	0.1071
Toxoplasma gondii	glutamine synthetase, type I, putative	0.0143	0	0.5
Trypanosoma brucei	glutamine synthetase, putative	0.0223	0.339	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0378	1	1
Echinococcus multilocularis	glutamine synthetase	0.0223	0.339	0.2234
Loa Loa (eye worm)	hypothetical protein	0.0178	0.1489	0.1489
Echinococcus granulosus	glutamine synthetase	0.0223	0.339	0.2234
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0378	1	1
Loa Loa (eye worm)	hypothetical protein	0.02	0.24	0.24
Loa Loa (eye worm)	steroid hormone receptor	0.0378	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0378	1	1
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0178	0.1489	0.1489
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0378	1	1
Loa Loa (eye worm)	hypothetical protein	0.0378	1	1
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0178	0.1489	0.1489
Schistosoma mansoni	thyroid hormone receptor	0.0378	1	1
Loa Loa (eye worm)	hypothetical protein	0.0178	0.1489	0.1489
Echinococcus multilocularis	ecdysone induced protein 78C	0.0378	1	1
Schistosoma mansoni	nuclear hormone receptor	0.0378	1	1
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.02	0.24	0.1071
Mycobacterium leprae	PROBABLE GLUTAMINE SYNTHETASE GLNA2 (GLUTAMINE SYNTHASE) (GS-II)	0.0143	0	0.5
Brugia malayi	hypothetical protein	0.02	0.24	0.1071
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0378	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0378	1	1
Brugia malayi	Nuclear hormone receptor-like 1	0.02	0.24	0.1071
Loa Loa (eye worm)	hypothetical protein	0.0378	1	1
Schistosoma mansoni	RAR-like nuclear receptor	0.0378	1	1
Brugia malayi	nuclear receptor NHR-88	0.0378	1	1
Mycobacterium tuberculosis	Probable glutamine synthetase GlnA2 (glutamine synthase) (GS-II)	0.0143	0	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0378	1	1
Plasmodium vivax	glutamine synthetase, putative	0.0143	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0178	0.1489	0.1489
Loa Loa (eye worm)	hypothetical protein	0.0378	1	1
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0378	1	1
Brugia malayi	Nuclear hormone receptor-like 1	0.02	0.24	0.1071
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0378	1	1
Loa Loa (eye worm)	hypothetical protein	0.0178	0.1489	0.1489

Activities

Activity type	Activity value	Assay description	Source	Reference
AC50 (functional)		PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
AC50 (functional)		PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
AC50 (functional)	= 1.258925412 uM	PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
AC50 (functional)	= 17.7827941 uM	PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
AC50 (functional)	= 22.38721139 uM	PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
Potency (functional)	3.9811 uM	PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	13.1154 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	39.8107 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	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: CHEMBL1548218

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 1409697