TDR Targets

Basic information

Technical information

TDR Targets ID: 1375073
Name: 3-(furan-2-ylmethylidene)piperazine-2,5-dione
MW: 192.171 | Formula: C9H8N2O3
H donors: 2 H acceptors: 2 LogP: -0.08 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: O=C1CNC(=O)/C(=C/c2ccco2)/N1
InChi: 1S/C9H8N2O3/c12-8-5-10-9(13)7(11-8)4-6-2-1-3-14-6/h1-4H,5H2,(H,10,13)(H,11,12)/b7-4-
InChiKey: PTQUYLDFHURNBC-DAXSKMNVSA-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

(3Z)-3-(furan-2-ylmethylidene)piperazine-2,5-dione
(3Z)-3-(2-furylmethylene)piperazine-2,5-dione
3-(2-furylmethylene)piperazine-2,5-dione
(3Z)-3-(2-furylmethylene)piperazine-2,5-quinone
3-(2-furylmethylene)piperazine-2,5-quinone
SMR000334913
3N-725
3-(2-furylmethylene)tetrahydro-2,5-pyrazinedione
MLS000695996

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	TAR DNA binding protein	Starlite/ChEMBL	No references
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references
Homo sapiens	polymerase (DNA directed) iota	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

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

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X	geminin, DNA replication inhibitor	209 aa	176 aa	27.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0023	0	0.5
Treponema pallidum	sodium- and chloride- dependent transporter	0.0319	0.1089	0.5
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0054	0.0114	0.0131
Giardia lamblia	Kinesin-5	0.0356	0.1225	1
Echinococcus granulosus	geminin	0.0205	0.0667	0.0667
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0054	0.0114	0.0114
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0054	0.0114	0.0114
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0196	0.0225
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0054	0.0114	0.0131
Loa Loa (eye worm)	cytochrome P450 family protein	0.0028	0.0017	0.014
Loa Loa (eye worm)	hypothetical protein	0.0319	0.1089	0.889
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0114	0.0928
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0054	0.0114	0.0131
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0054	0.0114	0.0114
Echinococcus granulosus	tar DNA binding protein	0.0076	0.0196	0.0196
Trypanosoma cruzi	cytochrome P450, putative	0.0028	0.0017	1
Echinococcus multilocularis	sodium dependent neurotransmitter transporter	0.0054	0.0114	0.0114
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0023	0	0.5
Brugia malayi	follicle stimulating hormone receptor	0.0245	0.0814	0.6649
Brugia malayi	Kinesin motor domain containing protein	0.0356	0.1225	1
Echinococcus multilocularis	serotonin transporter	0.0319	0.1089	0.1089
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0114	0.0928
Echinococcus multilocularis	geminin	0.0205	0.0667	0.0667
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0319	0.1089	0.1253
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0114	0.0928
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0319	0.1089	0.889
Entamoeba histolytica	kinesin, putative	0.0356	0.1225	1
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0054	0.0114	0.0131
Plasmodium falciparum	kinesin-5	0.0356	0.1225	1
Schistosoma mansoni	sodium-dependent amino acid transporter	0.0054	0.0114	0.0131
Schistosoma mansoni	kinesin eg-5	0.0356	0.1225	0.1409
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0054	0.0114	0.0928
Schistosoma mansoni	hypothetical protein	0.2387	0.869	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0059	0.0131	0.1072
Echinococcus granulosus	sodium and chloride dependent glycine	0.0054	0.0114	0.0114
Loa Loa (eye worm)	kinesin-like protein KLP2	0.0356	0.1225	1
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0245	0.0814	0.6649
Brugia malayi	Cytochrome P450 family protein	0.0028	0.0017	0.014
Brugia malayi	TAR-binding protein	0.0076	0.0196	0.1597
Loa Loa (eye worm)	TAR-binding protein	0.0076	0.0196	0.1597
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0028	0.0017	1
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0054	0.0114	0.0928
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.0054	0.0114	0.5
Brugia malayi	RNA recognition motif domain containing protein	0.0076	0.0196	0.1597
Schistosoma mansoni	sodium/chloride dependent transporter	0.0054	0.0114	0.0131
Brugia malayi	Cytochrome P450 family protein	0.0028	0.0017	0.014
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.0054	0.0114	0.0114
Toxoplasma gondii	kinesin motor domain-containing protein	0.0356	0.1225	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0076	0.0196	0.1597
Loa Loa (eye worm)	cytochrome P450 family protein	0.0028	0.0017	0.014
Echinococcus granulosus	sodium:chloride dependent neurotransmitter	0.0054	0.0114	0.0114
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0114	0.0928
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0054	0.0114	0.0114
Brugia malayi	Cytochrome P450 family protein	0.0059	0.0131	0.1072
Trypanosoma cruzi	cytochrome P450, putative	0.0028	0.0017	1
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0196	0.0225
Brugia malayi	hypothetical protein	0.0054	0.0114	0.0928
Brugia malayi	RNA binding protein	0.0076	0.0196	0.1597
Loa Loa (eye worm)	CYP4Cod1	0.0028	0.0017	0.014
Onchocerca volvulus		0.0319	0.1089	1
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0023	0	0.5
Schistosoma mansoni	sodium/chloride dependent transporter	0.0054	0.0114	0.0131
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0319	0.1089	0.889
Schistosoma mansoni	hypothetical protein	0.0205	0.0667	0.0767
Echinococcus granulosus	sodium and chloride dependent glycine	0.0054	0.0114	0.0114
Echinococcus multilocularis	tar DNA binding protein	0.0076	0.0196	0.0196
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0054	0.0114	0.0928
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0054	0.0114	0.0928
Trichomonas vaginalis	DNA polymerase eta, putative	0.0023	0	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0196	0.0225
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0054	0.0114	0.0131
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0054	0.0114	0.0131
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0054	0.0114	0.0131
Loa Loa (eye worm)	serotonin transporter b	0.0319	0.1089	0.889
Plasmodium vivax	kinesin-5	0.0356	0.1225	1
Leishmania major	cytochrome p450-like protein	0.0028	0.0017	1
Schistosoma mansoni	hypothetical protein	0.0205	0.0667	0.0767
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0196	0.0225
Loa Loa (eye worm)	hypothetical protein	0.0319	0.1089	0.889
Loa Loa (eye worm)	norepinephrine transporter	0.0319	0.1089	0.889
Echinococcus granulosus	sodium dependent neurotransmitter transporter	0.0054	0.0114	0.0114
Loa Loa (eye worm)	RNA binding protein	0.0076	0.0196	0.1597
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.0054	0.0114	0.0928
Trypanosoma brucei	cytochrome P450, putative	0.0028	0.0017	1
Echinococcus multilocularis	uncharacterized sodium dependent transporter	0.0054	0.0114	0.0114
Echinococcus multilocularis	kinesin family 1	0.2743	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0196	0.0225
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0114	0.0928
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0114	0.0928
Loa Loa (eye worm)	hypothetical protein	0.0319	0.1089	0.889
Schistosoma mansoni	sodium/chloride dependent transporter	0.0319	0.1089	0.1253
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0114	0.0928
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0054	0.0114	0.0928
Echinococcus granulosus	serotonin transporter	0.0319	0.1089	0.1089
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0054	0.0114	0.0131

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.6513 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	2.8184 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	10.4179 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)	11.2202 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)	12.5893 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	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 (binding)	= 22.3872 um	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	ChEMBL.	No reference
Potency (binding)	28.1838 uM	PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	28.1838 uM	PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 35.4813 um	PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)]	ChEMBL.	No reference
Potency (binding)	= 56.2341 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	79.4328 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Kappa. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588638]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23
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: CHEMBL1504781

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 1375073