TDR Targets

Basic information

Technical information

TDR Targets ID: 909492
Name: 5-(4-bromothiophen-2-yl)-2,4,7-trioxo-1,8-dih ydropyrido[6,5-d]pyrimidine-6-carbonitrile
MW: 365.162 | Formula: C12H5BrN4O3S
H donors: 3 H acceptors: 5 LogP: 1.99 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: N#Cc1c(O)nc2c(c1c1scc(c1)Br)c(=O)[nH]c(=O)[nH]2
InChi: 1S/C12H5BrN4O3S/c13-4-1-6(21-3-4)7-5(2-14)10(18)15-9-8(7)11(19)17-12(20)16-9/h1,3H,(H3,15,16,17,18,19,20)
InChiKey: TUFYNMJVQCRUTL-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

5-(4-bromo-2-thienyl)-2,4,7-trioxo-1,8-dihydropyrido[6,5-d]pyrimidine-6-carbonitrile
5-(4-bromo-2-thienyl)-2,4,7-triketo-1,8-dihydropyrido[6,5-d]pyrimidine-6-carbonitrile
CBMicro_013248
BIM-0013246.P001
Oprea1_800862

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
Leishmania major	ATP-binding cassette protein subfamily C, member 6, putative	0.0029	0.4203	0.4086
Brugia malayi	ABC transporter	0.0017	0.0198	0.0198
Brugia malayi	multidrug Resistance Protein family member (mrp-5), putative	0.0017	0.0198	0.0198
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0046	1	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0046	1	1
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.0028	0.3979	0.5539
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0046	1	1
Entamoeba histolytica	P-glycoprotein-2	0.0046	1	1
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0046	1	1
Brugia malayi	ABC transporter family protein	0.0017	0.0198	0.0198
Trypanosoma cruzi	multidrug resistance-associated protein, putative	0.0029	0.4203	0.5867
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0046	1	1
Trypanosoma cruzi	multidrug resistance protein E, putative	0.0029	0.4203	0.5867
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.0028	0.3979	0.5539
Entamoeba histolytica	multidrug resistance protein, putative	0.0029	0.4203	0.4203
Plasmodium vivax	multidrug resistance protein 1, putative	0.0046	1	1
Schistosoma mansoni	multidrug resistance protein	0.0046	1	1
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0046	1	1
Wolbachia endosymbiont of Brugia malayi	ABC-type multidrug transport system, ATPase and permease component	0.0017	0.0198	0.5
Schistosoma mansoni	multidrug resistance protein	0.0029	0.4203	0.4203
Loa Loa (eye worm)	multidrug resistance protein 3	0.0046	1	1
Brugia malayi	hypothetical protein	0.0017	0.0198	0.0198
Mycobacterium tuberculosis	Probable transmembrane multidrug efflux pump	0.0046	1	1
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.0017	0.0198	0.5
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0029	0.4203	0.4203
Echinococcus granulosus	multidrug resistance protein 1	0.0046	1	1
Trichomonas vaginalis	abcb9, putative	0.0046	1	1
Giardia lamblia	Multidrug resistance-associated protein 1	0.0029	0.4203	1
Loa Loa (eye worm)	ABC transporter	0.0017	0.0198	0.0198
Trypanosoma cruzi	trans-sialidase, putative	0.0028	0.3979	0.5539
Echinococcus granulosus	multidrug resistance associated protein 1	0.0029	0.4203	0.4203
Schistosoma mansoni	smdr2	0.0046	1	1
Loa Loa (eye worm)	ABC transporter	0.0017	0.0198	0.0198
Echinococcus granulosus	multidrug resistance associated protein 7	0.0029	0.4203	0.4203
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.0017	0.0198	0.5
Schistosoma mansoni	ubiquitin conjugating enzyme 13	0.0037	0.7023	0.7023
Mycobacterium leprae	PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER	0.0017	0.0198	0.5
Echinococcus multilocularis	multidrug resistance protein 1	0.0046	1	1
Giardia lamblia	Multidrug resistance-associated protein 1	0.0029	0.4203	1
Brugia malayi	multidrug resistance related protein 1	0.0029	0.4203	0.4203
Echinococcus granulosus	multidrug resistance protein 1	0.003	0.4524	0.4524
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0046	1	1
Entamoeba histolytica	ABC transporter, putative	0.0029	0.4203	0.4203
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0046	1	1
Toxoplasma gondii	ATP-binding cassette transporter ABC.B1	0.0046	1	1
Loa Loa (eye worm)	hypothetical protein	0.0046	1	1
Brugia malayi	ABC transporter transmembrane region family protein	0.0029	0.4203	0.4203
Loa Loa (eye worm)	hypothetical protein	0.0029	0.4203	0.4203
Plasmodium vivax	ubiquitin-conjugating enzyme E2 N, putative	0.0037	0.7023	0.6963
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0198	0.0198
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0046	1	1
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.0028	0.3979	0.5539
Leishmania major	ubiquitin-conjugating enzyme e2, putative	0.0037	0.7023	0.6963
Loa Loa (eye worm)	hypothetical protein	0.0028	0.4005	0.4005
Leishmania major	ATP-binding cassette protein subfamily B, member 2, putative	0.0046	1	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0046	1	1
Schistosoma mansoni	multidrug resistance protein	0.0017	0.0198	0.0198
Entamoeba histolytica	hypothetical protein	0.0029	0.4203	0.4203
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0046	1	1
Leishmania major	p-glycoprotein e	0.0029	0.4203	0.4086
Trypanosoma cruzi	trans-sialidase, putative	0.0028	0.3977	0.5537
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.0028	0.3979	0.5539
Brugia malayi	ABC transporter family protein	0.0017	0.0198	0.0198
Leishmania major	ABC-thiol transporter	0.0029	0.4203	0.4086
Schistosoma mansoni	multidrug resistance protein	0.0029	0.4203	0.4203
Leishmania major	p-glycoprotein	0.0046	1	1
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.0028	0.3979	0.5539
Schistosoma mansoni	multidrug resistance protein	0.0029	0.4203	0.4203
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0029	0.4203	0.4086
Onchocerca volvulus		0.0046	1	0.5
Trypanosoma cruzi	trans-sialidase, putative	0.0028	0.3979	0.5539
Schistosoma mansoni	multidrug resistance protein	0.0029	0.4203	0.4203
Loa Loa (eye worm)	hypothetical protein	0.0046	1	1
Trypanosoma brucei	trans-sialidase, putative	0.0028	0.3979	0.5539
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0029	0.4203	0.4203
Trypanosoma brucei	trans-sialidase, putative	0.0028	0.3979	0.5539
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0046	1	1
Trypanosoma brucei	ubiquitin-protein ligase, putative	0.0037	0.7023	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0046	1	1
Brugia malayi	Ubiquitin conjugating enzyme protein 13	0.0037	0.7023	0.7023
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0029	0.4203	0.4203
Echinococcus granulosus	5'partial\|ATP binding cassette sub family B	0.0046	0.9802	0.9802
Leishmania major	ATP-binding cassette protein subfamily C, member 2, putative	0.0029	0.4203	0.4086
Echinococcus granulosus	multidrug resistance protein 1	0.0046	1	1
Entamoeba histolytica	P-glyco protein 6, putative	0.0046	1	1
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0046	1	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.003	0.4524	0.4524
Schistosoma mansoni	multidrug resistance protein	0.0046	1	1
Brugia malayi	ABC transporter family protein	0.0017	0.0198	0.0198
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0046	1	1
Trichomonas vaginalis	ubiquitin-conjugating enzyme E2, putative	0.0037	0.7023	0.7023
Entamoeba histolytica	P-glycoprotein-2, putative	0.0046	1	1
Echinococcus granulosus	multidrug resistance protein 1	0.003	0.4524	0.4524
Entamoeba histolytica	P-glycoprotein-2	0.0046	1	1
Toxoplasma gondii	ubiquitin-conjugating enzyme subfamily protein	0.0037	0.7023	0.6963
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.0028	0.3979	0.5539
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0046	1	1
Wolbachia endosymbiont of Brugia malayi	ABC-type protease secretion system, ATPase and permease component, AprD	0.0017	0.0198	0.5
Brugia malayi	ABC transporter family protein	0.0046	1	1
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.0028	0.3979	0.5539
Trichomonas vaginalis	abcb9, putative	0.0046	1	1
Loa Loa (eye worm)	hypothetical protein	0.0029	0.4203	0.4203
Trypanosoma cruzi	trans-sialidase, putative	0.0028	0.3977	0.5537
Trypanosoma brucei	trans-sialidase	0.0028	0.3979	0.5539
Entamoeba histolytica	P-glycoprotein-1	0.0046	1	1
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.0028	0.3979	0.5539
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.0028	0.3979	0.5539
Plasmodium falciparum	multidrug resistance protein 1	0.0046	1	1
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0046	1	1
Trichomonas vaginalis	ABC transporter, putative	0.0046	1	1
Brugia malayi	P-glycoprotein-like protein	0.0017	0.0198	0.0198
Trichomonas vaginalis	ubiquitin-conjugating enzyme E2, putative	0.0037	0.7023	0.7023
Trypanosoma cruzi	ubiquitin-conjugating enzyme E2, putative	0.0037	0.7023	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0046	1	1
Giardia lamblia	Multidrug resistance-associated protein 1	0.0028	0.4005	0.9529
Trypanosoma brucei	multidrug resistance-associated protein, putative	0.0029	0.4203	0.5867
Trypanosoma cruzi	ubiquitin-conjugating enzyme E2, putative	0.0037	0.7023	1
Trypanosoma brucei	trans-sialidase, putative	0.0028	0.3979	0.5539
Trypanosoma cruzi	multidrug resistance-associated protein, putative	0.0029	0.4203	0.5867
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.0028	0.3979	0.5539
Trichomonas vaginalis	taga, putative	0.0046	1	1
Mycobacterium ulcerans	drugs-transport transmembrane ATP-binding protein ABC transporter	0.0017	0.0198	0.5
Trypanosoma brucei	multidrug resistance-associated protein, putative	0.0029	0.4203	0.5867
Mycobacterium leprae	PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER	0.0017	0.0198	0.5
Loa Loa (eye worm)	ABC transporter transmembrane region family protein	0.0029	0.4203	0.4203
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0046	1	1
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0046	1	1
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0046	1	1
Entamoeba histolytica	P-glycoprotein 6, putative	0.0017	0.0198	0.0198
Trichomonas vaginalis	ABC transporter, putative	0.0046	1	1
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.0028	0.3979	0.5539
Loa Loa (eye worm)	hypothetical protein	0.0046	0.9802	0.9802
Schistosoma mansoni	ATP-binding cassette sub-family B member 7 mitochondrial precursor (abc7)	0.0017	0.0198	0.0198
Giardia lamblia	MRP-like ABC transporter	0.0029	0.4203	1
Trypanosoma cruzi	trans-sialidase, putative	0.0028	0.3979	0.5539
Chlamydia trachomatis	ABC transporter ATP binding protein/permease	0.0046	1	0.5
Entamoeba histolytica	P-glycoprotein-5	0.0046	1	1
Schistosoma mansoni	smdr1	0.0017	0.0198	0.0198
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0046	1	1
Loa Loa (eye worm)	ubiquitin conjugating enzyme protein 13	0.0037	0.7023	0.7023
Loa Loa (eye worm)	ATP-binding cassette sub-family B member 2	0.0046	1	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0017	0.0198	0.0198
Mycobacterium ulcerans	component linked with the assembly of cytochrome transport transmembrane ATP-binding protein ABC transporter CydD	0.0017	0.0198	0.5
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0046	1	1
Echinococcus granulosus	ATP binding cassette sub family B	0.0017	0.0198	0.0198
Echinococcus granulosus	multidrug resistance protein 1	0.0046	1	1
Trypanosoma cruzi	trans-sialidase, putative	0.0028	0.3977	0.5537
Leishmania major	ATP-binding cassette protein subfamily C, member 5, putative	0.0029	0.4203	0.4086
Echinococcus granulosus	ATP binding cassette sub family B	0.0017	0.0198	0.0198
Leishmania major	pentamidine resistance protein 1	0.0029	0.4203	0.4086
Entamoeba histolytica	ubiquitin-conjugating enzyme family protein	0.0037	0.7023	0.7023
Echinococcus multilocularis	multidrug resistance associated protein 1	0.0029	0.4203	0.4086
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0046	1	1
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0046	1	1
Schistosoma mansoni	multidrug resistance protein	0.0046	1	1
Trypanosoma brucei	multidrug resistance protein E	0.0029	0.4203	0.5867
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0046	1	1
Echinococcus multilocularis	multidrug resistance protein 1	0.003	0.4524	0.4413
Loa Loa (eye worm)	ABC transporter	0.0017	0.0198	0.0198
Leishmania major	ATP-binding cassette protein subfamily C, member 1, putative	0.0029	0.4203	0.4086
Entamoeba histolytica	P-glycoprotein 5, putative	0.0046	1	1
Echinococcus multilocularis	ubiquitin conjugating enzyme E2 N	0.0037	0.7023	0.6963
Brugia malayi	ubiquitin conjugating enzyme protein 13	0.0037	0.7023	0.7023
Echinococcus multilocularis	multidrug resistance protein 1	0.0046	1	1
Giardia lamblia	ABC transporter, putative	0.0029	0.4203	1
Trypanosoma brucei	p-glycoprotein	0.0029	0.4203	0.5867
Loa Loa (eye worm)	ubiquitin conjugating enzyme protein 13	0.0037	0.7023	0.7023
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0046	1	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0046	1	1
Plasmodium falciparum	ubiquitin-conjugating enzyme E2 N, putative	0.0037	0.7023	0.6963
Brugia malayi	ABC transporter transmembrane region family protein	0.0017	0.0198	0.0198
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0046	1	1
Echinococcus multilocularis	ATP binding cassette sub family B	0.0046	0.9802	0.9798
Trichomonas vaginalis	ABC transporter, putative	0.0046	1	1
Echinococcus multilocularis	multidrug resistance associated protein 7	0.0029	0.4203	0.4086
Echinococcus granulosus	ubiquitin conjugating enzyme E2 N	0.0037	0.7023	0.7023
Trypanosoma brucei	trans-sialidase, putative	0.0028	0.3979	0.5539
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0046	1	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0046	1	1
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0029	0.4203	0.4203
Trichomonas vaginalis	abcb9, putative	0.0046	1	1
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.0017	0.0198	0.5
Trichomonas vaginalis	ABC transporter, putative	0.0046	1	1
Trypanosoma cruzi	trans-sialidase, putative	0.0028	0.3977	0.5537
Trypanosoma brucei	trans-sialidase, putative	0.0028	0.3979	0.5539
Entamoeba histolytica	P-glycoprotein 6, putative	0.0017	0.0198	0.0198
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0046	1	1

Activities

No activities found for this compound.

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 909492