TDR Targets

Basic information

Technical information

TDR Targets ID: 1331048
Name: 4-Hydroxy-7-methoxy-quinoline-3-carboxylic ac id [2-(3,4-dimethoxy-phenyl)-ethyl]-amide
MW: 382.41 | Formula: C21H22N2O5
H donors: 2 H acceptors: 3 LogP: 3.53 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc2c(c1)ncc(c2O)C(=O)NCCc1ccc(c(c1)OC)OC
InChi: 1S/C21H22N2O5/c1-26-14-5-6-15-17(11-14)23-12-16(20(15)24)21(25)22-9-8-13-4-7-18(27-2)19(10-13)28-3/h4-7,10-12H,8-9H2,1-3H3,(H,22,25)(H,23,24)
InChiKey: MCYRLOPNUHGAPO-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

ASN 06217524
MLS000033202
N-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-4-oxo-1H-quinoline-3-carboxamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-keto-7-methoxy-1H-quinoline-3-carboxamide
SMR000006202
ZINC04861554

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	ATPase family, AAA domain containing 5	Starlite/ChEMBL	No references
Homo sapiens	lamin A/C	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	ko:K07611 lamin, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	Intermediate filament protein ifa-1, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Brugia malayi	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	intermediate filament proteins	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	musashi	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128723	All targets in OG5_128723
Onchocerca volvulus		Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	cytoplasmic intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	Lamin-C, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	Get druggable targets OG5_139225	All targets in OG5_139225
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Brugia malayi	Intermediate filament tail domain containing protein	Get druggable targets OG5_128723	All targets in OG5_128723
Onchocerca volvulus		Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	lamin dm0	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	cytoplasmic intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	lamin dm0	Get druggable targets OG5_128723	All targets in OG5_128723

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
Echinococcus multilocularis	lamin dm0	0.0033	0.0194	0.0194
Schistosoma mansoni	lamin	0.0033	0.0194	0.0355
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.0114	0.0362
Echinococcus multilocularis	mothers against decapentaplegic 6	0.0015	0.0014	0.0014
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0034	0.0209	0.0382
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0194	0.0386
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0013	0.0026
Loa Loa (eye worm)	transcription factor SMAD2	0.0499	0.5029	1
Echinococcus multilocularis	Smad4	0.0034	0.0209	0.0209
Trichomonas vaginalis	nuclear lim interactor-interacting factor, putative	0.0014	0	0.5
Trichomonas vaginalis	dullard protein, putative	0.0014	0	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.005	0.0373	0.0683
Loa Loa (eye worm)	intermediate filament protein	0.0033	0.0194	0.0386
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0013	0.0026
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.0373	0.0683
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0016	0.0019	0.0035
Trichomonas vaginalis	nuclear lim interactor-interacting factor, putative	0.0014	0	0.5
Plasmodium falciparum	nicotinamide/nicotinic acid mononucleotide adenylyltransferase	0.0318	0.3155	1
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0034	0.0209	0.0209
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0019	0.0039
Onchocerca volvulus		0.0033	0.0194	1
Schistosoma mansoni	Smad4	0.0034	0.0209	0.0382
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.0373	0.0683
Loa Loa (eye worm)	nuclear factor I	0.0019	0.0051	0.0102
Echinococcus granulosus	mothers against decapentaplegic 6	0.0015	0.0014	0.0026
Schistosoma mansoni	smad1 5 8 and	0.0034	0.0209	0.0382
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0017	0.0037	0.0074
Schistosoma mansoni	smad1 5 8 and	0.0034	0.0209	0.0382
Schistosoma mansoni	smad	0.0015	0.0014	0.0026
Echinococcus granulosus	Smad4	0.0034	0.0209	0.0382
Echinococcus multilocularis	geminin	0.0541	0.5466	0.5466
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0014	0.0028
Loa Loa (eye worm)	MH1 domain-containing protein	0.0034	0.0209	0.0416
Brugia malayi	Intermediate filament tail domain containing protein	0.0033	0.0194	0.0386
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.0114	1
Brugia malayi	MH1 domain containing protein	0.0034	0.0209	0.0416
Leishmania major	hypothetical protein, conserved	0.0025	0.0114	1
Trichomonas vaginalis	dullard protein, putative	0.0014	0	0.5
Echinococcus granulosus	mothers against decapentaplegic 2	0.0015	0.0014	0.0026
Brugia malayi	MH2 domain containing protein	0.0499	0.5029	1
Brugia malayi	mothers against decapentaplegic homolog 3	0.0015	0.0014	0.0028
Brugia malayi	intermediate filament protein	0.0033	0.0194	0.0386
Echinococcus granulosus	smad	0.0034	0.0209	0.0382
Loa Loa (eye worm)	Smad1	0.0034	0.0209	0.0416
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.005	0.0373	0.0683
Mycobacterium leprae	PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC	0.0318	0.3155	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.005	0.0373	0.0373
Trichomonas vaginalis	nuclear lim interactor-interacting factor, putative	0.0014	0	0.5
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0033	0.0194	0.0386
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0051	0.0102
Schistosoma mansoni	hypothetical protein	0.0541	0.5466	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0114	1
Echinococcus granulosus	geminin	0.0541	0.5466	1
Schistosoma mansoni	lamin	0.0033	0.0194	0.0355
Plasmodium vivax	nicotinate-nucleotide adenylyltransferase, putative	0.0318	0.3155	1
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0034	0.0209	0.0209
Echinococcus granulosus	lamin	0.0033	0.0194	0.0355
Mycobacterium ulcerans	bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein	0.0318	0.3155	0.5
Loa Loa (eye worm)	MH2 domain-containing protein	0.0015	0.0014	0.0028
Schistosoma mansoni	Smad4	0.0015	0.0014	0.0026
Brugia malayi	hypothetical protein	0.0016	0.0023	0.0046
Giardia lamblia	Nuclear LIM interactor-interacting factor 1	0.0014	0	0.5
Trichomonas vaginalis	nuclear lim interactor-interacting factor, putative	0.0014	0	0.5
Schistosoma mansoni	smad	0.0034	0.0209	0.0382
Entamoeba histolytica	NLI interacting factor-like phosphatase domain-containing protein	0.0014	0	0.5
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.005	0.0373	0.0742
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0114	0.0362
Echinococcus multilocularis	smad	0.0034	0.0209	0.0209
Brugia malayi	cytoplasmic intermediate filament protein	0.0017	0.0037	0.0074
Brugia malayi	MH1 domain containing protein	0.0019	0.0051	0.0102
Schistosoma mansoni	intermediate filament proteins	0.0033	0.0194	0.0355
Trichomonas vaginalis	dullard protein, putative	0.0014	0	0.5
Brugia malayi	MH1 domain containing protein	0.0034	0.0209	0.0416
Brugia malayi	MH1 domain containing protein	0.0019	0.0051	0.0102
Echinococcus multilocularis	mothers against decapentaplegic 2	0.0015	0.0014	0.0014
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0034	0.0209	0.0382
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.005	0.0373	0.0373
Schistosoma mansoni	smad1 5 8 and	0.0034	0.0209	0.0382
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0016	0.0019	0.0019
Loa Loa (eye worm)	MH2 domain-containing protein	0.0034	0.0209	0.0416
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.005	0.0373	0.0742
Onchocerca volvulus		0.0033	0.0194	1
Loa Loa (eye worm)	MH1 domain-containing protein	0.0015	0.0014	0.0028
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.0114	1
Brugia malayi	MH2 domain containing protein	0.0034	0.0209	0.0416
Brugia malayi	MH2 domain containing protein	0.0034	0.0209	0.0416
Schistosoma mansoni	hypothetical protein	0.0541	0.5466	1
Echinococcus multilocularis	lamin	0.0033	0.0194	0.0194
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.0373	0.0683
Echinococcus granulosus	lamin dm0	0.0033	0.0194	0.0355
Echinococcus granulosus	intermediate filament protein	0.0033	0.0194	0.0355
Echinococcus granulosus	mothers against decapentaplegic 5	0.0034	0.0209	0.0382
Treponema pallidum	hypothetical protein	0.0318	0.3155	0.5
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0114	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0114	0.0362
Brugia malayi	Smad1	0.0034	0.0209	0.0416
Brugia malayi	MH2 domain containing protein	0.0015	0.0014	0.0028
Echinococcus multilocularis	musashi	0.0033	0.0194	0.0194
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0114	0.0227
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0188	0.0373
Brugia malayi	hypothetical protein	0.0025	0.0114	0.0227
Mycobacterium tuberculosis	Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic	0.0318	0.3155	0.5
Schistosoma mansoni	Smad4	0.0015	0.0014	0.0026
Loa Loa (eye worm)	MH2 domain-containing protein	0.0499	0.5029	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.3696 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	= 7.9433 um	PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	10.4179 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	18.3489 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249]	ChEMBL.	No reference
Potency (functional)	18.3564 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference
Potency (functional)	29.0929 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference
Potency (functional)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))]	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709]	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 100 um	PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))]	ChEMBL.	No reference
Potency (functional)	112.2018 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23
Plasmodium falciparum	ChEMBL23

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: CHEMBL1452542

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 1331048