TDR Targets

Basic information

Technical information

TDR Targets ID: 1485086
Name: 7,8-dimethyl-10-(2,3,4,5-tetrahydroxypentyl)p yrimido[6,5-b]quinoline-2,4-dione
MW: 375.376 | Formula: C18H21N3O6
H donors: 5 H acceptors: 6 LogP: -0.88 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: OCC(C(C(Cn1c2cc(C)c(cc2cc2c1nc(=O)[nH]c2=O)C)O)O)O
InChi: 1S/C18H21N3O6/c1-8-3-10-5-11-16(19-18(27)20-17(11)26)21(12(10)4-9(8)2)6-13(23)15(25)14(24)7-22/h3-5,13-15,22-25H,6-7H2,1-2H3,(H,20,26,27)
InChiKey: XHELUUHUHSGXOC-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

7,8-dimethyl-10-(2,3,4,5-tetrahydroxypentyl)pyrimido[6,5-b]quinoline-2,4-quinone
Pyrimido[4,5-b]quinoline-2,4(3H,10H)-dione, 7,8-dimethyl-10-(ribo-2,3,4,5-tetrahydroxypentyl)-
Ribitol, 1-deoxy-1-(3,4-dihydro-7,8-dimethyl-2,4-dioxopyrimido[4,5-b]quinolin-10(2H)-yl)-
10-Deazariboflavine
NSC112202

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	TAR DNA binding protein	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

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

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	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.1838	0.2102
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.0681	1
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.003	0.0949	0.3136
Plasmodium falciparum	acyl-CoA synthetase	0.0018	0.0419	0.5
Entamoeba histolytica	acyl-coA synthetase, putative	0.0023	0.0681	0.5
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0681	1
Onchocerca volvulus		0.003	0.0949	0.0328
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0681	0.0779
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0681	1
Wolbachia endosymbiont of Brugia malayi	ribonuclease HI	0.0023	0.0643	0.5
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0681	0.0779
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0681	0.5
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.0681	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.1657	0.4889
Loa Loa (eye worm)	hypothetical protein	0.0121	0.5	0.5719
Echinococcus granulosus	histone lysine methyltransferase setb	0.003	0.0949	0.3136
Brugia malayi	MH2 domain containing protein	0.0118	0.4864	0.5563
Schistosoma mansoni	hypothetical protein	0.0016	0.0338	0.0998
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0949	0.2802
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0016	0.0338	0.1118
Loa Loa (eye worm)	hypothetical protein	0.005	0.1838	0.2102
Onchocerca volvulus	Huntingtin homolog	0.0121	0.5	0.4657
Schistosoma mansoni	hypothetical protein	0.0016	0.0338	0.0998
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0681	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0681	1
Onchocerca volvulus		0.0023	0.0681	0.0041
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.0681	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0419	0.0479
Brugia malayi	TAR-binding protein	0.0076	0.3027	0.3463
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0681	0.0779
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0419	0.0479
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.1657	0.1895
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.1657	0.5473
Echinococcus granulosus	GPCR family 2	0.0016	0.0338	0.1118
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0016	0.0338	0.1118
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0681	1
Echinococcus multilocularis	ribonuclease H1	0.0023	0.0643	0.2123
Brugia malayi	Latrophilin receptor protein 2	0.0016	0.0338	0.0387
Schistosoma mansoni	hypothetical protein	0.0016	0.0338	0.0998
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.1657	0.5473
Schistosoma mansoni	phosphoglucomutase	0.0023	0.0643	0.1897
Brugia malayi	RNase H family protein	0.0023	0.0643	0.0735
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0016	0.0338	0.0387
Echinococcus multilocularis	GPCR, family 2	0.0016	0.0338	0.1118
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.003	0.0949	0.2802
Schistosoma mansoni	hypothetical protein	0.0034	0.1144	0.3375
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.1657	0.5473
Trypanosoma brucei	retrotransposon hot spot protein 4 (RHS4), interrupted	0.0024	0.0728	0.0309
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0949	0.2802
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.3027	0.8934
Trypanosoma cruzi	ribonuclease H1, putative	0.0023	0.0643	0.5
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0419	0.0479
Trichomonas vaginalis	set domain proteins, putative	0.0234	1	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0338	0.0387
Loa Loa (eye worm)	transcription factor SMAD2	0.0118	0.4864	0.5563
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.1838	0.2102
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.0681	0.5
Brugia malayi	hypothetical protein	0.0121	0.5	0.5719
Echinococcus granulosus	tar DNA binding protein	0.0076	0.3027	1
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.0419	0.139
Loa Loa (eye worm)	RNA binding protein	0.0076	0.3027	0.3463
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0028	0.0901	0.2978
Loa Loa (eye worm)	TAR-binding protein	0.0076	0.3027	0.3463
Loa Loa (eye worm)	hypothetical protein	0.003	0.0949	0.1086
Plasmodium vivax	SET domain protein, putative	0.003	0.0949	1
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0023	0.0681	1
Trypanosoma cruzi	ribonuclease H1, putative	0.0023	0.0643	0.5
Brugia malayi	Pre-SET motif family protein	0.003	0.0949	0.1086
Schistosoma mansoni	phosphoglucomutase	0.0023	0.0643	0.1897
Loa Loa (eye worm)	hypothetical protein	0.0121	0.5	0.5719
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0206	0.8743	1
Trypanosoma brucei	ingi protein (ORF1)	0.0024	0.0728	0.0309
Brugia malayi	RNA binding protein	0.0076	0.3027	0.3463
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.3027	0.8934
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0419	0.0479
Schistosoma mansoni	hypothetical protein	0.0016	0.0338	0.0998
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0681	1
Treponema pallidum	ribonuclease H (rnhA)	0.0023	0.0643	0.5
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.003	0.0949	0.3136
Giardia lamblia	Ribonuclease H	0.0023	0.0643	0.5
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0681	0.0779
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.1657	0.4889
Echinococcus granulosus	ribonuclease H1	0.0023	0.0643	0.2123
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.3027	0.8934
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.3027	0.8934
Brugia malayi	RNase H family protein	0.0023	0.0643	0.0735
Brugia malayi	RNA recognition motif domain containing protein	0.0076	0.3027	0.3463
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0016	0.0338	0.1118
Loa Loa (eye worm)	hypothetical protein	0.0034	0.1144	0.1308
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.1657	0.4889
Schistosoma mansoni	hypothetical protein	0.0085	0.3388	1
Echinococcus multilocularis	tar DNA binding protein	0.0076	0.3027	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.1657	0.1895
Onchocerca volvulus	Huntingtin homolog	0.0121	0.5	0.4657
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0949	0.2802
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.1838	0.2102
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0016	0.0338	0.0387
Brugia malayi	RNase H family protein	0.0023	0.0643	0.0735
Mycobacterium ulcerans	hypothetical protein	0.0023	0.0681	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0681	0.0779
Trypanosoma brucei	ingi protein (ORF1)	0.0024	0.0728	0.0309
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.003	0.0949	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0076	0.3027	0.3463
Trypanosoma brucei	RNA helicase, putative	0.0085	0.3388	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0419	0.0479
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.1144	0.1308
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.0681	0.5
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0016	0.0338	0.1118
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.3027	0.8934
Brugia malayi	Pre-SET motif family protein	0.0206	0.8743	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0118	0.4864	0.5563
Schistosoma mansoni	phosphoglucomutase	0.0023	0.0643	0.1897
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0023	0.0681	1
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0023	0.0681	1
Trypanosoma brucei	hypothetical protein, conserved	0.0024	0.0728	0.0309
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0681	0.0779
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0018	0.0419	0.5
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0681	0.5
Trypanosoma brucei	unspecified product	0.0024	0.0728	0.0309
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.1657	0.5473

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	1.122 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	20.5962 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)	25.1189 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	29.0929 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	39.8107 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262]	ChEMBL.	No reference
Potency (functional)	67.4555 uM	PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	79.4328 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference
Potency (functional)	79.4328 uM	PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771]	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: CHEMBL1716684

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 1485086