TDR Targets

Basic information

Technical information

TDR Targets ID: 1612481
Name: 3-(furan-2-ylmethylidene)-10H-imidazo[2,1-b]q uinazoline-2,5-dione
MW: 279.25 | Formula: C15H9N3O3
H donors: 1 H acceptors: 2 LogP: 1.52 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: O=c1n2c(nc3c1cccc3)[nH]c(=O)/c/2=C\c1ccco1
InChi: 1S/C15H9N3O3/c19-13-12(8-9-4-3-7-21-9)18-14(20)10-5-1-2-6-11(10)16-15(18)17-13/h1-8H,(H,16,17,19)/b12-8+
InChiKey: LRJVINWJIBXJMU-XYOKQWHBSA-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

(3E)-3-(furan-2-ylmethylidene)-10H-imidazo[2,1-b]quinazoline-2,5-dione
3-(2-furylmethylene)-10H-imidazo[2,1-b]quinazoline-2,5-dione
(3E)-3-(2-furylmethylene)-10H-imidazo[2,1-b]quinazoline-2,5-dione
3-(2-furylmethylene)-10H-imidazo[2,1-b]quinazoline-2,5-quinone
(3E)-3-(2-furylmethylene)-10H-imidazo[2,1-b]quinazoline-2,5-quinone
AIDS149526
NSC684350
NCI60_030295
3-(2-Furylmethylene)imidazo[2,1-b]quinazoline-2,5(1H,3H)-dione
AIDS-149526

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0051	0.0409	0.5
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0049	0.038	0.1117
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0409	0.1202
Loa Loa (eye worm)	MH2 domain-containing protein	0.0018	0.0024	0.0069
Loa Loa (eye worm)	hypothetical protein	0.0134	0.135	0.3968
Plasmodium vivax	acyl-CoA synthetase, putative	0.0038	0.0261	1
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0409	0.1202
Brugia malayi	Cytochrome P450 family protein	0.0025	0.011	0.0323
Onchocerca volvulus		0.0314	0.3403	1
Brugia malayi	hypothetical protein	0.018	0.1875	0.551
Loa Loa (eye worm)	CYP4Cod1	0.0025	0.011	0.0323
Trypanosoma cruzi	PAB1-binding protein , putative	0.0028	0.0139	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0025	0.011	0.0323
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0261	0.0766
Loa Loa (eye worm)	cytochrome P450 family protein	0.0058	0.0479	0.1407
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.038	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0261	0.0766
Brugia malayi	hypothetical protein	0.0018	0.0027	0.0078
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.038	0.038
Loa Loa (eye worm)	hypothetical protein	0.0134	0.135	0.3968
Trypanosoma cruzi	PAB1-binding protein , putative	0.0028	0.0139	1
Loa Loa (eye worm)	hypothetical protein	0.018	0.1875	0.551
Schistosoma mansoni	smad	0.0018	0.0024	0.0621
Leishmania major	4-coumarate:coa ligase-like protein	0.0051	0.0409	1
Echinococcus granulosus	mothers against decapentaplegic 5	0.0018	0.0024	0.0621
Loa Loa (eye worm)	transcription factor SMAD2	0.0259	0.2776	0.8159
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.038	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0051	0.0409	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0051	0.0409	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0036	0.0237	0.5788
Toxoplasma gondii	LsmAD domain-containing protein	0.0028	0.0139	1
Onchocerca volvulus		0.0314	0.3403	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0261	0.0766
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0018	0.0024	0.0024
Loa Loa (eye worm)	cytochrome P450 family protein	0.0025	0.011	0.0323
Brugia malayi	Cytochrome P450 family protein	0.0025	0.011	0.0323
Loa Loa (eye worm)	MH2 domain-containing protein	0.0259	0.2776	0.8159
Brugia malayi	LBP / BPI / CETP family, C-terminal domain containing protein	0.018	0.1875	0.551
Loa Loa (eye worm)	Smad1	0.0018	0.0024	0.0069
Loa Loa (eye worm)	hypothetical protein	0.0134	0.135	0.3968
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0051	0.0409	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.038	1
Schistosoma mansoni	smad1 5 8 and	0.0018	0.0024	0.0621
Onchocerca volvulus		0.018	0.1875	0.5454
Plasmodium falciparum	acyl-CoA synthetase	0.0038	0.0261	1
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0051	0.0409	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0036	0.0237	0.5788
Echinococcus multilocularis	Smad4	0.0018	0.0024	0.0024
Brugia malayi	LBP/BPI	0.0134	0.135	0.3968
Schistosoma mansoni	smad1 5 8 and	0.0018	0.0024	0.0621
Echinococcus granulosus	Smad4	0.0018	0.0024	0.0621
Onchocerca volvulus		0.0314	0.3403	1
Trypanosoma cruzi	cytochrome P450, putative	0.0025	0.011	0.7928
Loa Loa (eye worm)	MH1 domain-containing protein	0.0018	0.0024	0.0069
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0139	0.0408
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0051	0.0409	0.5
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0018	0.0024	0.0024
Loa Loa (eye worm)	LBP/BPI/CETP family domain-containing protein	0.0314	0.3403	1
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0038	0.0261	0.6374
Echinococcus granulosus	smad	0.0018	0.0024	0.0621
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0018	0.0024	0.0621
Echinococcus multilocularis	smad	0.0018	0.0024	0.0024
Leishmania major	hypothetical protein, conserved	0.0028	0.0139	0.3391
Loa Loa (eye worm)	LBP/BPI/CETP family domain-containing protein	0.018	0.1875	0.551
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0051	0.0409	1
Loa Loa (eye worm)	hypothetical protein	0.018	0.1875	0.551
Loa Loa (eye worm)	hypothetical protein	0.018	0.1875	0.551
Onchocerca volvulus		0.0314	0.3403	1
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0051	0.0409	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0261	0.0766
Brugia malayi	hypothetical protein	0.0028	0.0139	0.0408
Brugia malayi	hypothetical protein	0.018	0.1875	0.551
Leishmania major	4-coumarate:coa ligase-like protein	0.0051	0.0409	1
Onchocerca volvulus		0.0314	0.3403	1
Onchocerca volvulus		0.018	0.1875	0.5454
Brugia malayi	hypothetical protein	0.0134	0.135	0.3968
Trypanosoma brucei	PAB1-binding protein , putative	0.0028	0.0139	1
Trichomonas vaginalis	conserved hypothetical protein	0.0134	0.135	0.5
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0036	0.0237	0.5788
Mycobacterium ulcerans	acyl-CoA synthetase	0.0051	0.0409	1
Leishmania major	cytochrome p450-like protein	0.0025	0.011	0.2689
Brugia malayi	AMP-binding enzyme family protein	0.0051	0.0409	0.1202
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0036	0.0237	0.5788
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0409	0.1202
Onchocerca volvulus		0.0314	0.3403	1
Onchocerca volvulus		0.0134	0.135	0.3893
Brugia malayi	MH2 domain containing protein	0.0259	0.2776	0.8159
Brugia malayi	LBP / BPI / CETP family, N-terminal domain containing protein	0.0314	0.3403	1
Trypanosoma brucei	cytochrome P450, putative	0.0025	0.011	0.7928
Brugia malayi	MH2 domain containing protein	0.0018	0.0024	0.0069
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0018	0.0024	0.0621
Onchocerca volvulus		0.0314	0.3403	1
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0051	0.0409	1
Loa Loa (eye worm)	hypothetical protein	0.0314	0.3403	1
Brugia malayi	LBP / BPI / CETP family, N-terminal domain containing protein	0.0314	0.3403	1
Loa Loa (eye worm)	hypothetical protein	0.0134	0.135	0.3968
Brugia malayi	Smad1	0.0018	0.0024	0.0069
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0025	0.011	0.2689
Brugia malayi	MH1 domain containing protein	0.0018	0.0024	0.0069
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.038	0.038
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0038	0.0261	0.5
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0038	0.0261	0.6374
Trypanosoma cruzi	cytochrome P450, putative	0.0025	0.011	0.7928
Brugia malayi	AMP-binding enzyme family protein	0.0051	0.0409	0.1202
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0261	0.0766
Brugia malayi	LBP / BPI / CETP family, C-terminal domain containing protein	0.018	0.1875	0.551
Schistosoma mansoni	smad1 5 8 and	0.0018	0.0024	0.0621
Schistosoma mansoni	Smad4	0.0018	0.0024	0.0621
Entamoeba histolytica	acyl-coA synthetase, putative	0.0051	0.0409	0.5
Loa Loa (eye worm)	LBP/BPI/CETP family domain-containing protein	0.018	0.1875	0.551
Loa Loa (eye worm)	hypothetical protein	0.018	0.1875	0.551
Brugia malayi	Cytochrome P450 family protein	0.0058	0.0479	0.1407
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.038	1
Onchocerca volvulus		0.0314	0.3403	1
Mycobacterium ulcerans	hypothetical protein	0.0051	0.0409	1
Onchocerca volvulus		0.0051	0.0409	0.1093
Brugia malayi	LBP / BPI / CETP family, C-terminal domain containing protein	0.018	0.1875	0.551
Loa Loa (eye worm)	hypothetical protein	0.018	0.1875	0.551
Leishmania major	4-coumarate:coa ligase-like protein	0.0051	0.0409	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.038	1
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0051	0.0409	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0051	0.0409	1
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0051	0.0409	1
Brugia malayi	AMP-binding enzyme family protein	0.0051	0.0409	0.1202
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0049	0.038	0.1117
Brugia malayi	MH2 domain containing protein	0.0018	0.0024	0.0069
Brugia malayi	LBP / BPI / CETP family, C-terminal domain containing protein	0.0314	0.3403	1
Brugia malayi	MH1 domain containing protein	0.0018	0.0024	0.0069

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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: CHEMBL1970746

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 1612481