TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 297.305 | Formula: C17H15NO4
H donors: 3 H acceptors: 2 LogP: 2.03 Rotable bonds: 0
Rule of 5 violations (Lipinski): 1
SMILES: Oc1cc2C3NC(Cc2cc1O)c1c(C3)cc2c(c1)OCO2
InChi: 1S/C17H15NO4/c19-14-3-8-1-13-11-6-17-16(21-7-22-17)4-9(11)2-12(18-13)10(8)5-15(14)20/h3-6,12-13,18-20H,1-2,7H2
InChiKey: PKRCIVOCUNHSBA-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

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		0.0125	0.0812	0.4389
Brugia malayi	ERG2 and Sigma1 receptor like protein	0.0383	0.3006	1
Brugia malayi	Thioredoxin reductase	0.005	0.0173	0.0545
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.0171	0.0539
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0301	0.2315	1
Onchocerca volvulus		0.0125	0.0812	0.4389
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0114	0.0718	0.0642
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.009	0.0514	0.5004
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.005	0.0173	0.0021
Brugia malayi	Heterochromatin protein 1	0.0072	0.0359	0.1167
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0147	0.1001	0.0965
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0812	0.2676
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.009	0.0514	0.1682
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0296	0.0956
Trichomonas vaginalis	chromobox protein, putative	0.0072	0.0359	0.1209
Leishmania major	trypanothione reductase	0.005	0.0173	0.0065
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0127	0.0827	0.3824
Echinococcus granulosus	short transient receptor potential channel 6	0.0068	0.0325	0.3199
Loa Loa (eye worm)	hypothetical protein	0.005	0.0171	0.0539
Echinococcus multilocularis	chromobox protein 1	0.0072	0.0359	0.3473
Echinococcus granulosus	histone lysine methyltransferase setb	0.0031	0.001	0.0095
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.009	0.0514	0.5004
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.009	0.0514	0.4602
Mycobacterium tuberculosis	Probable dehydrogenase	0.0114	0.0718	0.0642
Brugia malayi	Muscleblind-like protein	0.0149	0.1017	0.336
Trypanosoma brucei	trypanothione reductase	0.005	0.0173	0.0065
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0301	0.2315	1
Onchocerca volvulus		0.0043	0.011	0.0516
Mycobacterium leprae	PROBABLE METHYLTRANSFERASE	0.0125	0.0812	0.3296
Plasmodium vivax	glutathione reductase, putative	0.005	0.0173	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0037	0.0091
Echinococcus multilocularis	muscleblind protein	0.0149	0.1017	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0301	0.2315	1
Plasmodium vivax	thioredoxin reductase, putative	0.005	0.0173	1
Trypanosoma cruzi	trypanothione reductase, putative	0.005	0.0173	0.0058
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0147	0.1001	0.086
Schistosoma mansoni	transient receptor potential channel 4	0.0103	0.0621	0.5583
Plasmodium falciparum	glutathione reductase	0.005	0.0173	0.5
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0301	0.2315	1
Echinococcus multilocularis	short transient receptor potential channel 6	0.0068	0.0325	0.3134
Echinococcus granulosus	chromobox protein 1	0.0072	0.0359	0.3535
Loa Loa (eye worm)	thioredoxin reductase	0.005	0.0173	0.0545
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0114	0.0718	0.0642
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.009	0.0514	0.5052
Echinococcus granulosus	TRP transient receptor potential channel	0.0038	0.0072	0.0712
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.0171	0.0539
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0301	0.2315	1
Trichomonas vaginalis	chromobox protein, putative	0.0043	0.0117	0.0117
Loa Loa (eye worm)	heterochromatin protein 1	0.0072	0.0359	0.1167
Loa Loa (eye worm)	hypothetical protein	0.0149	0.1017	0.336
Mycobacterium tuberculosis	Probable methyltransferase	0.0125	0.0812	0.0748
Schistosoma mansoni	chromobox protein	0.0072	0.0359	0.3194
Loa Loa (eye worm)	glutathione reductase	0.005	0.0173	0.0545
Loa Loa (eye worm)	O-methyltransferase	0.0125	0.0812	0.2676
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0043	0.0112
Echinococcus granulosus	chromobox protein 1	0.0072	0.0359	0.3535
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0043	0.0117	0.0553
Brugia malayi	glutathione reductase	0.005	0.0173	0.0545
Schistosoma mansoni	o-methyltransferase	0.0125	0.0812	0.7324
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0016	0.0022
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0301	0.2315	0.5
Toxoplasma gondii	thioredoxin reductase	0.005	0.0173	1
Echinococcus granulosus	muscleblind protein	0.0149	0.1017	1
Brugia malayi	O-methyltransferase	0.0125	0.0812	0.2676
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0037	0.0091
Brugia malayi	chromobox protein homolog 3	0.004	0.009	0.027
Schistosoma mansoni	chromobox protein	0.0072	0.0359	0.3194
Brugia malayi	O-methyltransferase family protein	0.0125	0.0812	0.2676
Onchocerca volvulus		0.0244	0.1828	1
Schistosoma mansoni	transient receptor potential channel	0.0068	0.0325	0.2882
Giardia lamblia	Fructose-bisphosphate aldolase	0.0301	0.2315	0.5
Treponema pallidum	fructose-bisphosphate aldolase	0.0301	0.2315	0.5
Loa Loa (eye worm)	hypothetical protein	0.0149	0.1017	0.336
Echinococcus multilocularis	transient receptor potential gamma protein	0.0103	0.0621	0.6071
Echinococcus granulosus	thioredoxin glutathione reductase	0.005	0.0173	0.1702
Echinococcus multilocularis	short transient receptor potential channel 6	0.0068	0.0325	0.3134
Brugia malayi	O-methyltransferase family protein	0.0125	0.0812	0.2676
Mycobacterium tuberculosis	Probable oxidoreductase	0.0127	0.0827	0.0765
Trypanosoma cruzi	C-8 sterol isomerase, putative	0.0383	0.3006	0.901
Wolbachia endosymbiont of Brugia malayi	O-methyltransferase	0.0125	0.0812	0.5
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0127	0.0827	0.0765
Echinococcus granulosus	short transient receptor potential channel 6	0.0068	0.0325	0.3199
Loa Loa (eye worm)	hypothetical protein	0.0196	0.1413	0.4683
Loa Loa (eye worm)	hypothetical protein	0.0383	0.3006	1
Schistosoma mansoni	transient receptor potential channel	0.0068	0.0325	0.2882
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0147	0.1001	1
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0114	0.0718	0.0642
Loa Loa (eye worm)	hypothetical protein	0.004	0.009	0.027
Leishmania major	C-8 sterol isomerase-like protein	0.0383	0.3006	1
Schistosoma mansoni	transient receptor potential channel	0.0103	0.0621	0.5583
Trypanosoma cruzi	hypothetical protein	0.0419	0.332	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0301	0.2315	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0301	0.2315	1
Echinococcus multilocularis	thioredoxin glutathione reductase	0.005	0.0173	0.1622
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0301	0.2315	1
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.004	0.009	0.0409
Echinococcus multilocularis	TRP (transient receptor potential) channel	0.0038	0.0072	0.0623
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.009	0.0514	0.1682
Trichomonas vaginalis	chromobox protein, putative	0.0072	0.0359	0.1209
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0127	0.0827	0.0765
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0072	0.0209
Plasmodium falciparum	thioredoxin reductase	0.005	0.0173	0.5
Echinococcus multilocularis	chromobox protein 1	0.0072	0.0359	0.3473
Echinococcus multilocularis	muscleblind protein 1	0.0149	0.1017	1
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0043	0.011	0.0915
Trichomonas vaginalis	chromobox protein, putative	0.0043	0.0117	0.0117
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.009	0.0514	0.5052
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.0171	0.0539
Schistosoma mansoni	o-methyltransferase	0.0125	0.0812	0.7324
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0301	0.2315	0.5
Mycobacterium ulcerans	methyltransferase	0.0125	0.0812	0.0667
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.009	0.0514	0.4602
Brugia malayi	O-methyltransferase family protein	0.0125	0.0812	0.2676
Brugia malayi	Pre-SET motif family protein	0.0215	0.1575	0.5225
Echinococcus granulosus	transient receptor potential ion channel A	0.0099	0.0592	0.5822
Schistosoma mansoni	o-methyltransferase	0.0125	0.0812	0.7324
Trichomonas vaginalis	set domain proteins, putative	0.0244	0.1828	0.7812
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0215	0.1575	0.5225
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.009	0.0514	0.4602
Schistosoma mansoni	o-methyltransferase	0.0125	0.0812	0.7324
Mycobacterium tuberculosis	Probable catechol-O-methyltransferase	0.1079	0.8936	1
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0114	0.0718	0.0642
Trypanosoma brucei	C-8 sterol isomerase, putative	0.0383	0.3006	1
Schistosoma mansoni	hypothetical protein	0.0034	0.0037	0.025
Mycobacterium tuberculosis	Probable reductase	0.0114	0.0718	0.0642
Loa Loa (eye worm)	hypothetical protein	0.0103	0.0621	0.204
Echinococcus granulosus	transient receptor potential gamma protein	0.0103	0.0621	0.6108
Echinococcus multilocularis	transient receptor potential ion channel A	0.0099	0.0592	0.5781
Brugia malayi	Transient-receptor-potential like protein	0.0038	0.0072	0.0209

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 44 uM	In vitro inhibitory activity against TNF-alpha production in mouse macrophages stimulated with LPS	ChEMBL.	No reference
IC50 (functional)	= 44 uM	In vitro inhibitory activity against TNF-alpha production in mouse macrophages stimulated with LPS	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

No external resources registered for this compound

Bibliographic References

No literature references available for this target.

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Detailed information for compound 282205