TDR Targets

Basic information

Technical information

TDR Targets ID: 809878
Name: N-(2-hydroxyphenyl)-4-[(5E)-4-oxo-2-sulfanyli dene-5-(thiophen-2-ylmethylidene)-1,3-thiazol idin-3-yl]butanamide
MW: 404.526 | Formula: C18H16N2O3S3
H donors: 2 H acceptors: 3 LogP: 3.5 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1ccccc1O)CCCN1C(=S)S/C(=C/c2cccs2)/C1=O
InChi: 1S/C18H16N2O3S3/c21-14-7-2-1-6-13(14)19-16(22)8-3-9-20-17(23)15(26-18(20)24)11-12-5-4-10-25-12/h1-2,4-7,10-11,21H,3,8-9H2,(H,19,22)/b15-11+
InChiKey: RFPNGLFEURUOTL-RVDMUPIBSA-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

N-(2-hydroxyphenyl)-4-[(5E)-4-oxo-5-(2-thienylmethylene)-2-thioxo-thiazolidin-3-yl]butanamide
N-(2-hydroxyphenyl)-4-[(5E)-4-oxo-5-(2-thienylmethylene)-2-thioxo-3-thiazolidinyl]butanamide
N-(2-hydroxyphenyl)-4-[(5E)-4-keto-5-(2-thienylmethylene)-2-thioxo-thiazolidin-3-yl]butyramide
ZINC04746501
BIM-0008013.P001

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No 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

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Mycobacterium ulcerans	linoleoyl-CoA desaturase, DesA3	0.0032	0.0444	1
Brugia malayi	Delta5 fatty acid desaturase	0.0032	0.0444	0.1263
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0023	0.0127	1
Schistosoma mansoni	hypothetical protein	0.0205	0.6414	1
Toxoplasma gondii	sphingolipid delta 4 desaturase/c-4 hydroxylase protein des2 family protein	0.0032	0.0444	1
Brugia malayi	hypothetical protein	0.002	0.0021	0.0059
Loa Loa (eye worm)	FAT-3 protein	0.0032	0.0444	0.1263
Plasmodium falciparum	ataxin-2 like protein, putative	0.003	0.0394	0.0789
Echinococcus granulosus	Sphingolipid delta4 desaturase DES1	0.0032	0.0444	0.0692
Echinococcus granulosus	geminin	0.0205	0.6414	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0764	0.2175
Trichomonas vaginalis	ap endonuclease, putative	0.0023	0.0127	0.0108
Mycobacterium ulcerans	linoleoyl-CoA desaturase, DesA3	0.0032	0.0444	1
Mycobacterium tuberculosis	Probable conserved membrane protein	0.0032	0.0444	1
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0023	0.0127	0.036
Toxoplasma gondii	LsmAD domain-containing protein	0.003	0.0394	0.8421
Leishmania major	fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative	0.0032	0.0444	0.0707
Loa Loa (eye worm)	hypothetical protein	0.003	0.0394	0.1121
Trypanosoma brucei	delta-6 fatty acid desaturase, putative	0.0032	0.0444	0.0707
Schistosoma mansoni	hypothetical protein	0.0205	0.6414	1
Trypanosoma cruzi	delta-4 fatty acid desaturase, putative	0.0032	0.0444	0.0707
Onchocerca volvulus		0.0153	0.4615	1
Echinococcus multilocularis	geminin	0.0205	0.6414	1
Loa Loa (eye worm)	fatty acid desaturase	0.0032	0.0444	0.1263
Brugia malayi	acyl-CoA desaturase	0.0121	0.3513	1
Leishmania major	delta-4 fatty acid desaturase	0.0032	0.0444	0.0707
Onchocerca volvulus		0.0153	0.4615	1
Trypanosoma cruzi	fatty acid desaturase, putative	0.0121	0.3513	0.7545
Leishmania major	fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative	0.0032	0.0444	0.0707
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0444	0.1263
Trypanosoma cruzi	fatty acid desaturase, putative	0.0153	0.4615	1
Plasmodium vivax	stearoyl-CoA desaturase (acyl-CoA desaturase, faty acid desaturase), putative	0.0121	0.3513	1
Trypanosoma cruzi	fatty acid desaturase, putative	0.0032	0.0444	0.0707
Trypanosoma cruzi	delta-4 fatty acid desaturase, putative	0.0032	0.0444	0.0707
Leishmania major	hypothetical protein, conserved	0.003	0.0394	0.0595
Leishmania major	fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative	0.0032	0.0444	0.0707
Schistosoma mansoni	fatty acid desaturase	0.0032	0.0444	0.0692
Schistosoma mansoni	ap endonuclease	0.0023	0.0127	0.0197
Leishmania major	fatty acid desaturase, putative	0.0032	0.0444	0.0707
Trichomonas vaginalis	ap endonuclease, putative	0.0023	0.0127	0.0108
Mycobacterium ulcerans	hypothetical protein	0.0032	0.0444	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.003	0.0394	0.0789
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0023	0.0127	0.5
Loa Loa (eye worm)	hypothetical protein	0.006	0.1422	0.4049
Brugia malayi	exodeoxyribonuclease III family protein	0.0023	0.0127	0.036
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.1422	0.4049
Leishmania major	fatty-acid desaturase, putative	0.0153	0.4615	1
Echinococcus multilocularis	Peptidase M, neutral zinc metallopeptidases, zinc binding site	0.0032	0.0444	0.0692
Brugia malayi	Fatty acid desaturase family protein	0.0032	0.0444	0.1263
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.1422	0.4049
Leishmania major	stearic acid desaturase, putative	0.0153	0.4615	1
Trypanosoma cruzi	fatty acid desaturase, putative	0.0032	0.0444	0.0707
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0764	0.2175
Leishmania major	fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative	0.0032	0.0444	0.0707
Brugia malayi	Fatty acid desaturase family protein	0.0032	0.0444	0.1263
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.1422	0.4049
Echinococcus multilocularis	Peptidase M, neutral zinc metallopeptidases, zinc binding site	0.0032	0.0444	0.0692
Trypanosoma cruzi	PAB1-binding protein , putative	0.003	0.0394	0.0595
Mycobacterium ulcerans	hypothetical protein	0.0032	0.0444	1
Schistosoma mansoni	hypothetical protein	0.0041	0.0764	0.1191
Mycobacterium ulcerans	electron transfer protein FdxB	0.0032	0.0444	1
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0023	0.0127	0.5
Leishmania major	delta-12 fatty acid desaturase	0.0032	0.0444	0.0707
Leishmania major	delta-5 fatty acid desaturase	0.0032	0.0444	0.0707
Trichomonas vaginalis	NAD(P)H dehydrogenase, putative	0.0308	1	1
Mycobacterium ulcerans	transmembrane alkane 1-monooxygenase AlkB	0.0032	0.0444	1
Trypanosoma brucei	cytochrome b5-dependent oleate desaturase	0.0032	0.0444	0.0707
Trypanosoma brucei	fatty acid desaturase, putative	0.0153	0.4615	1
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0023	0.0127	0.0197
Trypanosoma cruzi	sphingolipid delta 4 desaturase, putative	0.0032	0.0444	0.0707
Echinococcus multilocularis	Fatty acid desaturase, type 1	0.0032	0.0444	0.0692
Leishmania major	fatty acid desaturase, putative	0.0032	0.0444	0.0707
Trypanosoma brucei	sphingolipid delta 4 desaturase, putative	0.0032	0.0444	0.0707
Loa Loa (eye worm)	acyl-CoA desaturase	0.0121	0.3513	1
Leishmania major	delta-6 fatty acid desaturase	0.0032	0.0444	0.0707
Plasmodium falciparum	stearoyl-CoA desaturase	0.0121	0.3513	1
Trypanosoma brucei	delta-4 fatty acid desaturase	0.0032	0.0444	0.0707
Loa Loa (eye worm)	fatty acid desaturase	0.0032	0.0444	0.1263
Trypanosoma cruzi	PAB1-binding protein , putative	0.003	0.0394	0.0595
Trypanosoma brucei	PAB1-binding protein , putative	0.003	0.0394	0.0595
Mycobacterium ulcerans	linoleoyl-CoA desaturase, DesA3_2	0.0032	0.0444	1
Mycobacterium tuberculosis	Probable transmembrane alkane 1-monooxygenase AlkB (alkane 1-hydroxylase) (lauric acid omega-hydroxylase) (omega-hydroxylase) (f	0.0032	0.0444	1
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0023	0.0127	1
Trypanosoma cruzi	fatty acid desaturase, putative	0.0121	0.3513	0.7545
Schistosoma mansoni	ap endonuclease	0.0023	0.0127	0.0197
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0023	0.0127	0.0197
Mycobacterium tuberculosis	Possible electron transfer protein FdxB	0.0032	0.0444	1
Trypanosoma cruzi	cytochrome b5-dependent oleate desaturase	0.0032	0.0444	0.0707
Plasmodium vivax	ataxin-2 like protein, putative	0.003	0.0394	0.0789
Brugia malayi	hypothetical protein	0.003	0.0394	0.1121
Echinococcus granulosus	Fatty acid desaturase type 1	0.0032	0.0444	0.0692

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	7.9433 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	14.1254 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 of alpha-syn Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	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: CHEMBL1870635
Search by Saint Jude

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 809878