TDR Targets

Basic information

Technical information

TDR Targets ID: 1885958
Name: 2-(2-(furan-2-ylmethylidene)hydrazinyl)-5-[(2 -methylphenyl)methyl]-1,3-thiazol-4-one
MW: 313.374 | Formula: C16H15N3O2S
H donors: 1 H acceptors: 1 LogP: 3.53 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C1N=C(SC1Cc1ccccc1C)N/N=C/c1ccco1
InChi: 1S/C16H15N3O2S/c1-11-5-2-3-6-12(11)9-14-15(20)18-16(22-14)19-17-10-13-7-4-8-21-13/h2-8,10,14H,9H2,1H3,(H,18,19,20)/b17-10+
InChiKey: KTBNCCJSRFOQTE-LICLKQGHSA-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

2-((2E)-2-(furan-2-ylmethylidene)hydrazinyl)-5-[(2-methylphenyl)methyl]-1,3-thiazol-4-one
2-((N'E)-N'-(2-furylmethylene)hydrazino)-5-[(2-methylphenyl)methyl]thiazol-4-one
2-(N'-(2-furylmethylene)hydrazino)-5-[(2-methylphenyl)methyl]thiazol-4-one
2-((N'E)-N'-(2-furylmethylene)hydrazino)-5-[(2-methylphenyl)methyl]-4-thiazolone
2-(N'-(2-furylmethylene)hydrazino)-5-[(2-methylphenyl)methyl]-4-thiazolone
2-(N'-(2-furylmethylene)hydrazino)-5-(2-methylbenzyl)thiazol-4-one
2-((N'E)-N'-(2-furylmethylene)hydrazino)-5-(2-methylbenzyl)thiazol-4-one
2-{[1-Furan-2-yl-meth-(E)-ylidene]-hydrazono}-5-(2-methyl-benzyl)-thiazolidin-4-one
CBMicro_005360
STOCK1S-50732
MLS001030074
SMR000427488
BIM-0005372.P001

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	relaxin/insulin-like family peptide receptor 1	Starlite/ChEMBL	No references
Mus musculus	RAR-related orphan receptor gamma	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

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	steroid hormone receptor	0.0012	1	1
Brugia malayi	photoreceptor-specific nuclear receptor	0.0012	1	1
Onchocerca volvulus		0.0006	0.0004	0.0004
Loa Loa (eye worm)	hypothetical protein	0.0012	1	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0012	1	1
Echinococcus multilocularis	Low density lipoprotein receptor, class A, cysteine rich	0.0006	0.0004	0.0004
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	1	1
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0012	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	1	1
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0004	0.0004
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0006	0.1071	0.1071
Brugia malayi	nuclear hormone receptor	0.0012	1	1
Echinococcus granulosus	ecdysone induced protein 78C	0.0012	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0012	1	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0012	1	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0012	1	1
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0012	1	1
Brugia malayi	Low-density lipoprotein receptor domain class A containing protein	0.0006	0.0004	0.0004
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0012	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0012	1	1
Schistosoma mansoni	low-density lipoprotein receptor (ldl)	0.0006	0.0004	0.0004
Echinococcus granulosus	5'partial\|Low density lipoprotein receptor class A cysteine rich	0.0006	0.0004	0.0004
Echinococcus multilocularis	FTZ F1 alpha	0.0012	1	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0012	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0012	1	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	1	1
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0004	0.0004
Schistosoma mansoni	nuclear hormone receptor	0.0012	1	1
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0012	1	1
Schistosoma mansoni	thyroid hormone receptor	0.0012	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	1	1
Echinococcus multilocularis	Low density lipoprotein receptor, class A, cysteine rich	0.0006	0.0004	0.0004
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0004	0.0004
Onchocerca volvulus		0.0006	0.0004	0.0004
Brugia malayi	Low-density lipoprotein receptor domain class A containing protein	0.0006	0.0004	0.0004
Brugia malayi	Low-density lipoprotein receptor domain class A containing protein	0.0006	0.0004	0.0004
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0012	1	1
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0012	1	1
Onchocerca volvulus	Protein ultraspiracle homolog	0.0012	1	1
Onchocerca volvulus	Arrow homolog	0.0006	0.0004	0.0004
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0004	0.0004
Echinococcus granulosus	basement membrane specific heparan sulfate	0.0006	0.0004	0.0004
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0012	1	1
Brugia malayi	basement membrane proteoglycan precursor	0.0006	0.0004	0.0004
Schistosoma mansoni	low-density lipoprotein receptor (ldl)	0.0006	0.0004	0.0004
Schistosoma mansoni	hypothetical protein	0.0006	0.0004	0.0004
Brugia malayi	hypothetical protein	0.0006	0.1071	0.1071
Loa Loa (eye worm)	low-density lipoprotein receptor repeat class B containing protein	0.0006	0.0004	0.0004
Echinococcus multilocularis	Low density lipoprotein receptor, class A, cysteine rich	0.0006	0.0004	0.0004
Brugia malayi	Low-density lipoprotein receptor domain class A containing protein	0.0006	0.0004	0.0004
Onchocerca volvulus	Basement membrane proteoglycan homolog	0.0006	0.0004	0.0004
Brugia malayi	Low-density lipoprotein receptor domain class A containing protein	0.0006	0.0004	0.0004
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0004	0.0004
Brugia malayi	Nuclear hormone receptor-like 1	0.0006	0.1071	0.1071
Schistosoma mansoni	thyroid hormone receptor	0.0012	1	1
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0012	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0012	1	1
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0006	0.1071	0.1071
Echinococcus granulosus	basement membrane specific heparan sulfate	0.0006	0.0004	0.0004
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0012	1	1
Brugia malayi	Low-density lipoprotein receptor-related protein, putative	0.0006	0.0004	0.0004
Loa Loa (eye worm)	low-density lipoprotein receptor domain class A containing protein	0.0006	0.0004	0.0004
Echinococcus multilocularis	low density lipoprotein receptor protein	0.0006	0.0004	0.0004
Brugia malayi	CUB domain containing protein	0.0006	0.0004	0.0004
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	1	1
Brugia malayi	Low-density lipoprotein receptor domain class A containing protein	0.0006	0.0004	0.0004
Echinococcus granulosus	low density lipoprotein receptor ldl	0.0006	0.0004	0.0004
Schistosoma mansoni	retinoic acid receptor RXR	0.0012	1	1
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0012	1	1
Loa Loa (eye worm)	hypothetical protein	0.0012	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0012	1	1
Onchocerca volvulus	Terribly reduced optic lobes homolog	0.0006	0.0004	0.0004
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0004	0.0004
Echinococcus multilocularis	low density lipoprotein receptor (ldl)	0.0006	0.0004	0.0004
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0012	1	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0006	0.0004	0.0004
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0012	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	1	1
Onchocerca volvulus		0.0006	0.0004	0.0004
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0012	1	1
Echinococcus granulosus	low density lipoprotein receptor protein	0.0006	0.0004	0.0004
Brugia malayi	Nuclear hormone receptor-like 1	0.0006	0.1071	0.1071
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0012	1	1
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0004	0.0004
Brugia malayi	Low-density lipoprotein receptor repeat class B containing protein	0.0006	0.0004	0.0004
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0006	0.1071	0.1071
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	1	1
Onchocerca volvulus		0.0006	0.0004	0.0004
Schistosoma mansoni	coup transcription factor	0.0012	1	1
Onchocerca volvulus		0.0006	0.0004	0.0004
Loa Loa (eye worm)	hypothetical protein	0.0012	1	1
Schistosoma mansoni	low-density lipoprotein receptor (ldl)	0.0006	0.0004	0.0004
Loa Loa (eye worm)	hypothetical protein	0.0006	0.1071	0.1071
Loa Loa (eye worm)	hypothetical protein	0.0006	0.1071	0.1071
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0012	1	1
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0004	0.0004
Onchocerca volvulus	Bile acid receptor homolog	0.0012	1	1
Loa Loa (eye worm)	hypothetical protein	0.0012	1	1
Echinococcus granulosus	Low density lipoprotein receptor class A cysteine rich	0.0006	0.0004	0.0004
Echinococcus multilocularis	basement membrane specific heparan sulfate	0.0006	0.0004	0.0004
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0012	1	1
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0004	0.0004
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0004	0.0004
Echinococcus granulosus	FTZ F1 alpha	0.0012	1	1
Echinococcus multilocularis	ecdysone induced protein 78C	0.0012	1	1
Brugia malayi	Low-density lipoprotein receptor domain class A containing protein	0.0006	0.0004	0.0004
Loa Loa (eye worm)	low-density lipoprotein receptor domain class A containing protein	0.0006	0.0004	0.0004
Loa Loa (eye worm)	hypothetical protein	0.0012	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0012	1	1
Loa Loa (eye worm)	hypothetical protein	0.0012	1	1
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0004	0.0004
Loa Loa (eye worm)	hypothetical protein	0.0012	1	1
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0012	1	1
Echinococcus multilocularis	basement membrane specific heparan sulfate	0.0006	0.0004	0.0004
Loa Loa (eye worm)	steroid hormone receptor	0.0012	1	1
Schistosoma mansoni	RAR-like nuclear receptor	0.0012	1	1
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0004	0.0004
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0012	1	1
Echinococcus multilocularis	low density lipoprotein receptor (ldl)	0.0006	0.0004	0.0004
Brugia malayi	Calcium binding EGF domain containing protein	0.0006	0.0004	0.0004
Echinococcus granulosus	low density lipoprotein receptor ldl	0.0006	0.0004	0.0004
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0012	1	1
Brugia malayi	hypothetical protein	0.0006	0.1071	0.1071
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0012	1	1
Loa Loa (eye worm)	hypothetical protein	0.0006	0.1071	0.1071
Onchocerca volvulus		0.0012	1	1
Brugia malayi	nuclear receptor RXR	0.0006	0.1071	0.1071
Schistosoma mansoni	hypothetical protein	0.0006	0.0004	0.0004
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0012	1	1
Loa Loa (eye worm)	hypothetical protein	0.0006	0.1071	0.1071
Loa Loa (eye worm)	low-density lipoprotein receptor domain class A containing protein	0.0006	0.0004	0.0004
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0004	0.0004
Brugia malayi	Nuclear hormone receptor-like 1	0.0012	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0012	1	1
Brugia malayi	nuclear receptor NHR-88	0.0012	1	1
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0006	0.1071	0.1071
Loa Loa (eye worm)	calcium binding EGF domain-containing protein	0.0006	0.0004	0.0004
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0006	0.1071	0.1071
Onchocerca volvulus		0.0006	0.0004	0.0004
Loa Loa (eye worm)	hypothetical protein	0.0006	0.1071	0.1071
Loa Loa (eye worm)	hypothetical protein	0.0012	1	1
Brugia malayi	Steroid receptor seven-up type 2	0.0012	1	1
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0004	0.0004
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0012	1	1
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0012	1	1
Brugia malayi	enteropeptidase precursor	0.0006	0.0004	0.0004

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 0.4467 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 1.9953 um	PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 6.3096 um	PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	18.526 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory)	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: CHEMBL3212907

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1885958