TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 430.456 | Formula: C24H22N4O4
H donors: 0 H acceptors: 3 LogP: 2.81 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)c1cc2c(n(c1=NC(=O)c1cc(C)cc(c1)C)C)nc1n(c2=O)cccc1
InChi: 1S/C24H22N4O4/c1-5-32-24(31)18-13-17-20(25-19-8-6-7-9-28(19)23(17)30)27(4)21(18)26-22(29)16-11-14(2)10-15(3)12-16/h6-13H,5H2,1-4H3/b26-21-
InChiKey: MGBVVVMSDVIDIB-QLYXXIJNSA-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

No synonyms found for this compound

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
Onchocerca volvulus		0.0308	0.1613	0.159
Loa Loa (eye worm)	melatonin receptor type 1A	0.0023	0.0027	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0027	0.0027
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.0035	0.0008
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0308	0.1613	0.159
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0025	0.0035	0.0244
Loa Loa (eye worm)	TYRA-2 protein	0.0023	0.0027	0.0027
Entamoeba histolytica	acyl-coA synthetase, putative	0.0025	0.0035	0.5
Echinococcus granulosus	sodium dependent neurotransmitter transporter	0.0308	0.1613	0.159
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0027	0.0027
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.1816	1	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0027	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0308	0.1613	0.1613
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.025	0.0224
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0023	0.0027	0.0027
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.0308	0.1613	0.159
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0308	0.1613	0.159
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0027	0.0027
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0308	0.1613	0.1613
Schistosoma mansoni	sodium/chloride dependent transporter	0.0308	0.1613	0.159
Schistosoma mansoni	sodium/chloride dependent transporter	0.1816	1	1
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0025	0.0035	0.0244
Onchocerca volvulus		0.0308	0.1613	0.159
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0035	0.0035
Onchocerca volvulus		0.0025	0.0035	0.0008
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0027	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0027	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0027	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0027	0.0027
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0025	0.0035	1
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0025	0.0035	0.5
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0027	0.0027
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.0035	0.5
Echinococcus granulosus	sodium:chloride dependent neurotransmitter	0.0308	0.1613	0.159
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0027	0.0027
Echinococcus multilocularis	serotonin receptor	0.0938	0.5115	0.5102
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.025	0.0224
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0152	0.0126
Loa Loa (eye worm)	hypothetical protein	0.1816	1	1
Schistosoma mansoni	glutaminase	0.0273	0.1418	0.1395
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.041	0.218	0.216
Brugia malayi	hypothetical protein	0.0308	0.1613	0.159
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0027	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0027	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0027	0.0027
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0152	0.0126
Loa Loa (eye worm)	hypothetical protein	0.1816	1	1
Plasmodium falciparum	amino acid transporter, putative	0.0308	0.1613	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0025	0.0035	0.5
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0027	0.0027
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0308	0.1613	0.159
Plasmodium vivax	amine transporter, putative	0.0308	0.1613	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0035	0.0035
Loa Loa (eye worm)	G-protein coupled receptor	0.0023	0.0027	0.0027
Plasmodium falciparum	transporter, putative	0.0308	0.1613	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0152	0.0126
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0308	0.1613	0.159
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.0035	0.0244
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0027	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0027	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0027	0.0027
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.025	0.0224
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0308	0.1613	0.159
Loa Loa (eye worm)	neuropeptide F receptor	0.0023	0.0027	0.0027
Echinococcus granulosus	tar DNA binding protein	0.0063	0.025	0.0224
Brugia malayi	RNA binding protein	0.0063	0.025	0.0224
Echinococcus multilocularis	tar DNA binding protein	0.0063	0.025	0.0224
Echinococcus multilocularis	serotonin transporter	0.1816	1	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0027	0.0027
Loa Loa (eye worm)	G-protein coupled receptor	0.0023	0.0027	0.0027
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.0308	0.1613	1
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0023	0.0027	0.0027
Loa Loa (eye worm)	glutaminase	0.0273	0.1418	0.1418
Mycobacterium ulcerans	glutaminase	0.0273	0.1418	1
Loa Loa (eye worm)	hypothetical protein	0.0308	0.1613	0.1613
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0027	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0027	0.0027
Echinococcus granulosus	sodium and chloride dependent glycine	0.0308	0.1613	0.159
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0027	0.0027
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0025	0.0035	0.5
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0027	0.0027
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0063	0.025	0.025
Loa Loa (eye worm)	solute carrier family 6 member 4	0.1816	1	1
Echinococcus granulosus	sodium and chloride dependent glycine	0.0308	0.1613	0.159
Loa Loa (eye worm)	neuropeptide F receptor	0.0023	0.0027	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0027	0.0027
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.0035	0.0008
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0308	0.1613	0.159
Echinococcus granulosus	tm gpcr rhodopsin	0.041	0.218	0.216
Loa Loa (eye worm)	serotonin transporter b	0.1816	1	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0027	0.0027
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.0152	0.0126
Brugia malayi	glutaminase DH11.1	0.0273	0.1418	0.1395
Echinococcus granulosus	serotonin transporter	0.1816	1	1
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0308	0.1613	0.5
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0025	0.0035	0.5
Loa Loa (eye worm)	hypothetical protein	0.0308	0.1613	0.1613
Toxoplasma gondii	hypothetical protein	0.0308	0.1613	0.5
Onchocerca volvulus		0.1816	1	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0152	0.0126
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0027	0.0027
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.025	0.0224
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0152	0.0126
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0152	0.0126
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0027	0.0027
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0308	0.1613	0.159
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0308	0.1613	0.5
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0308	0.1613	0.159
Echinococcus multilocularis	sodium dependent neurotransmitter transporter	0.0308	0.1613	0.159
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0308	0.1613	0.159
Loa Loa (eye worm)	hypothetical protein	0.0308	0.1613	0.1613
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0308	0.1613	0.159
Onchocerca volvulus		0.0308	0.1613	0.159
Echinococcus granulosus	biogenic amine 5HT receptor	0.0938	0.5115	0.5102
Echinococcus multilocularis	uncharacterized sodium dependent transporter	0.0308	0.1613	0.159
Loa Loa (eye worm)	hypothetical protein	0.1816	1	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0027	0.0027
Loa Loa (eye worm)	glutaminase 2	0.0273	0.1418	0.1418
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0027	0.0027
Brugia malayi	RNA recognition motif domain containing protein	0.0063	0.025	0.0224
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0027	0.0027
Loa Loa (eye worm)	TAR-binding protein	0.0063	0.025	0.025
Trichomonas vaginalis	glutaminase, putative	0.0273	0.1418	0.5
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0027	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0027	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0027	0.0027
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0308	0.1613	0.159
Loa Loa (eye worm)	hypothetical protein	0.0308	0.1613	0.1613
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0308	0.1613	0.159
Brugia malayi	TAR-binding protein	0.0063	0.025	0.0224
Loa Loa (eye worm)	hypothetical protein	0.0308	0.1613	0.1613
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0035	0.0035
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.0152	0.0152
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0027	0.0027
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0023	0.0027	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0027	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0027	0.0027
Treponema pallidum	sodium- and chloride- dependent transporter	0.1816	1	0.5
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0308	0.1613	0.159
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0027	0.0027
Toxoplasma gondii	hypothetical protein	0.0308	0.1613	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0152	0.0126
Loa Loa (eye worm)	RNA binding protein	0.0063	0.025	0.025
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0308	0.1613	0.159
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0308	0.1613	0.159
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0027	0.0027
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.0035	0.0244
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0938	0.5115	0.5102
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0023	0.0027	0.0027
Plasmodium vivax	hypothetical protein, conserved	0.0308	0.1613	1
Schistosoma mansoni	sodium/chloride dependent transporter	0.0308	0.1613	0.159
Loa Loa (eye worm)	norepinephrine transporter	0.1816	1	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0027	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0027	0.0027
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0308	0.1613	0.5
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0027	0.0027
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.0035	0.5
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0308	0.1613	0.1613
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0027	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0308	0.1613	0.1613
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0023	0.0027	0.0027
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.0035	0.0244
Schistosoma mansoni	sodium-dependent amino acid transporter	0.0308	0.1613	0.159
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.025	0.0224
Mycobacterium ulcerans	hypothetical protein	0.0025	0.0035	0.0244
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0027	0.0027
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.0308	0.1613	0.159
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0025	0.0035	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.0035	0.5
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0025	0.0035	0.0244
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.0035	0.0008
Loa Loa (eye worm)	hypothetical protein	0.0938	0.5115	0.5115
Loa Loa (eye worm)	hypothetical protein	0.0938	0.5115	0.5115
Echinococcus multilocularis	serotonin receptor	0.0938	0.5115	0.5102
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0027	0.0027
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0025	0.0035	0.0244

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 793583