TDR Targets

Basic information

Technical information

TDR Targets ID: 333830
Name: N-[2-(tert-butylcarbamoylamino)-3-(3,5-dimeth oxyphenyl)-1,6-naphthyridin-7-yl]-N-(4-phenyl methoxybutyl)acetamide
MW: 599.72 | Formula: C34H41N5O5
H donors: 2 H acceptors: 4 LogP: 4.77 Rotable bonds: 16
Rule of 5 violations (Lipinski): 2
SMILES: COc1cc(OC)cc(c1)c1cc2cnc(cc2nc1NC(=O)NC(C)(C)C)N(C(=O)C)CCCCOCc1ccccc1
InChi: 1S/C34H41N5O5/c1-23(40)39(14-10-11-15-44-22-24-12-8-7-9-13-24)31-20-30-26(21-35-31)18-29(25-16-27(42-5)19-28(17-25)43-6)32(36-30)37-33(41)38-34(2,3)4/h7-9,12-13,16-21H,10-11,14-15,22H2,1-6H3,(H2,36,37,38,41)
InChiKey: DPDLEGYGVYOUSQ-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

N-(4-benzyloxybutyl)-N-[2-(tert-butylcarbamoylamino)-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-7-yl]acetamide
N-(4-benzyloxybutyl)-N-[2-[[(tert-butylamino)-oxomethyl]amino]-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-7-yl]acetamide
N-[2-(tert-butylcarbamoylamino)-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-7-yl]-N-(4-phenylmethoxybutyl)ethanamide
N-(4-benzoxybutyl)-N-[2-(tert-butylcarbamoylamino)-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-7-yl]acetamide
N-[2-(tert-butylcarbamoylamino)-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-7-yl]-N-[4-(phenylmethoxy)butyl]acetamide
N-[2-[[(tert-butylamino)-oxomethyl]amino]-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-7-yl]-N-[4-(phenylmethoxy)butyl]acetamide
N-[4-(benzyloxy)butyl]-N-[2-(tert-butylcarbamoylamino)-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-7-yl]acetamide
N-[2-(tert-butylcarbamoylamino)-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-7-yl]-N-[4-(phenylmethoxy)butyl]ethanamide
1,6-naphthyridine 39

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	fibroblast growth factor receptor 1	Starlite/ChEMBL	References
Homo sapiens	kinase insert domain receptor	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Onchocerca volvulus	Tyrosine kinase homolog	Get druggable targets OG5_130320	All targets in OG5_130320
Echinococcus granulosus	fibroblast growth factor receptor 4	Get druggable targets OG5_128769	All targets in OG5_128769
Echinococcus granulosus	basic fibroblast growth factor receptor 1 A	Get druggable targets OG5_128769	All targets in OG5_128769
Onchocerca volvulus		Get druggable targets OG5_130320	All targets in OG5_130320
Echinococcus multilocularis	basic fibroblast growth factor receptor 1 A	Get druggable targets OG5_128769	All targets in OG5_128769
Brugia malayi	Immunoglobulin I-set domain containing protein	Get druggable targets OG5_128769	All targets in OG5_128769
Brugia malayi	Immunoglobulin I-set domain containing protein	Get druggable targets OG5_130320	All targets in OG5_130320
Schistosoma japonicum	Fibroblast growth factor receptor precursor, putative	Get druggable targets OG5_128769	All targets in OG5_128769
Loa Loa (eye worm)	TK/KIN16 protein kinase	Get druggable targets OG5_130320	All targets in OG5_130320
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_128769	All targets in OG5_128769
Schistosoma japonicum	IPR002048,Calcium-binding EF-hand;IPR001245,Tyrosine protein kinase;IPR000719,Protein kinase;IPR011009,Protein kinase-like,domai	Get druggable targets OG5_128769	All targets in OG5_128769
Loa Loa (eye worm)	TK protein kinase	Get druggable targets OG5_128769	All targets in OG5_128769
Echinococcus multilocularis	fibroblast growth factor receptor 4	Get druggable targets OG5_128769	All targets in OG5_128769

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
Schistosoma mansoni	nuclear receptor nhr-48	0.0061	0.1772	0.3006
Schistosoma mansoni	nuclear hormone receptor	0.0061	0.1772	0.3006
Loa Loa (eye worm)	hypothetical protein	0.013	0.5895	0.5802
Loa Loa (eye worm)	hypothetical protein	0.0061	0.1772	0.1586
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.013	0.5895	0.5997
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.013	0.5895	1
Brugia malayi	nuclear receptor NHR-88	0.013	0.5895	0.5011
Loa Loa (eye worm)	hypothetical protein	0.0061	0.1772	0.1586
Schistosoma mansoni	nuclear hormone receptor	0.0061	0.1772	0.3006
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0061	0.1772	0.1586
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0061	0.1772	0.3006
Schistosoma mansoni	nuclear receptor	0.0061	0.1772	0.3006
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0198	1	1
Loa Loa (eye worm)	hypothetical protein	0.0061	0.1772	0.1586
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.013	0.5895	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.013	0.5895	0.5802
Brugia malayi	Nuclear hormone receptor-like 1	0.0069	0.2213	0.0537
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.013	0.5895	0.5011
Loa Loa (eye worm)	DR-78	0.0061	0.1772	0.1586
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.013	0.5895	1
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0061	0.1772	0.3006
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.013	0.5895	1
Echinococcus granulosus	thyroid hormone receptor alpha	0.0061	0.1772	0.3006
Schistosoma mansoni	nuclear receptor	0.0061	0.1772	0.3006
Schistosoma mansoni	zinc finger protein	0.0061	0.1772	0.3006
Echinococcus multilocularis	roundabout 2	0.0035	0.022	0.0374
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.013	0.5895	1
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.013	0.5895	0.5011
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.013	0.5895	1
Onchocerca volvulus	Bile acid receptor homolog	0.013	0.5895	0.5997
Loa Loa (eye worm)	hypothetical protein	0.0061	0.1772	0.1586
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.013	0.5895	0.5802
Loa Loa (eye worm)	hypothetical protein	0.013	0.5895	0.5802
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.013	0.5895	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.013	0.5895	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.013	0.5895	1
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0061	0.1772	0.3006
Echinococcus multilocularis	fibroblast growth factor receptor 4	0.0121	0.5393	0.9148
Loa Loa (eye worm)	hypothetical protein	0.0061	0.1772	0.1586
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.013	0.5895	0.5011
Loa Loa (eye worm)	hypothetical protein	0.0069	0.2213	0.2038
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.013	0.5895	0.5011
Echinococcus multilocularis	basic fibroblast growth factor receptor 1 A	0.0121	0.5393	0.9148
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.013	0.5895	1
Loa Loa (eye worm)	hypothetical protein	0.0061	0.1772	0.1586
Loa Loa (eye worm)	hypothetical protein	0.0061	0.1772	0.1586
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0061	0.1772	0.3006
Loa Loa (eye worm)	hypothetical protein	0.013	0.5895	0.5802
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.013	0.5895	1
Brugia malayi	Steroid receptor seven-up type 2	0.013	0.5895	0.5011
Brugia malayi	nuclear receptor RXR	0.0069	0.2213	0.0537
Echinococcus multilocularis	nuclear receptor nhr 48	0.0061	0.1772	0.3006
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.013	0.5895	0.5011
Loa Loa (eye worm)	hypothetical protein	0.0061	0.1772	0.1586
Onchocerca volvulus		0.0167	0.812	0.9234
Schistosoma mansoni	thyroid hormone receptor	0.013	0.5895	1
Echinococcus granulosus	ecdysone induced protein 78C	0.013	0.5895	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.013	0.5895	0.5802
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0128	0.5781	0.4873
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0061	0.1772	0.1586
Loa Loa (eye worm)	hypothetical protein	0.013	0.5895	0.5802
Echinococcus multilocularis	FTZ F1 alpha	0.013	0.5895	1
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.013	0.5895	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.013	0.5895	1
Loa Loa (eye worm)	hypothetical protein	0.0069	0.2213	0.2038
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.013	0.5895	0.5802
Brugia malayi	ecdysteroid receptor	0.013	0.5895	0.5011
Schistosoma mansoni	steroid hormone receptor ad4bp	0.013	0.5895	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0069	0.2213	0.3755
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0061	0.1772	0.3006
Loa Loa (eye worm)	hypothetical protein	0.0061	0.1772	0.1586
Onchocerca volvulus	Protein ultraspiracle homolog	0.013	0.5895	0.5997
Loa Loa (eye worm)	hypothetical protein	0.0061	0.1772	0.1586
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0061	0.1772	0.3006
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0061	0.1772	0.3006
Schistosoma mansoni	tyrosine kinase	0.0121	0.5393	0.9148
Echinococcus granulosus	nuclear receptor nhr 48	0.0061	0.1772	0.3006
Schistosoma mansoni	retinoic acid receptor RXR	0.013	0.5895	1
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0069	0.2213	0.2038
Loa Loa (eye worm)	hypothetical protein	0.013	0.5895	0.5802
Loa Loa (eye worm)	nuclear hormone receptor	0.0061	0.1772	0.1586
Echinococcus granulosus	basic fibroblast growth factor receptor 1 A	0.0121	0.5393	0.9148
Loa Loa (eye worm)	hypothetical protein	0.0069	0.2213	0.2038
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.013	0.5895	1
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0061	0.1772	0.3006
Loa Loa (eye worm)	hypothetical protein	0.0069	0.2213	0.2038
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.013	0.5895	0.5011
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.013	0.5895	0.5011
Loa Loa (eye worm)	TK protein kinase	0.0128	0.5781	0.5686
Brugia malayi	hypothetical protein	0.0069	0.2213	0.0537
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0061	0.1772	0.3006
Echinococcus multilocularis	ecdysone induced protein 78C	0.013	0.5895	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.013	0.5895	0.5011
Brugia malayi	Nuclear hormone receptor-like 1	0.0069	0.2213	0.0537
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.013	0.5895	0.5011
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.013	0.5895	1
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.013	0.5895	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.013	0.5895	0.5802
Loa Loa (eye worm)	hypothetical protein	0.013	0.5895	0.5802
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0069	0.2213	0.3755
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.013	0.5895	0.5802
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0069	0.2213	0.3755
Onchocerca volvulus		0.013	0.5895	0.5997
Loa Loa (eye worm)	hypothetical protein	0.0061	0.1772	0.1586
Brugia malayi	nuclear hormone receptor	0.013	0.5895	0.5011
Echinococcus multilocularis	thyroid hormone receptor alpha	0.013	0.5895	1
Loa Loa (eye worm)	steroid hormone receptor	0.013	0.5895	0.5802
Schistosoma mansoni	nuclear hormone receptor	0.013	0.5895	1
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.013	0.5895	0.5011
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0061	0.1772	0.3006
Loa Loa (eye worm)	hypothetical protein	0.0069	0.2213	0.2038
Loa Loa (eye worm)	hypothetical protein	0.0061	0.1772	0.1586
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.013	0.5895	1
Loa Loa (eye worm)	hypothetical protein	0.0061	0.1772	0.1586
Echinococcus granulosus	roundabout 2	0.0035	0.022	0.0374
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.013	0.5895	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.013	0.5895	0.5011
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.013	0.5895	0.5802
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.013	0.5895	1
Loa Loa (eye worm)	hypothetical protein	0.013	0.5895	0.5802
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.013	0.5895	0.5011
Brugia malayi	Nuclear hormone receptor-like 1	0.013	0.5895	0.5011
Loa Loa (eye worm)	hypothetical protein	0.013	0.5895	0.5802
Echinococcus granulosus	FTZ F1 alpha	0.013	0.5895	1
Onchocerca volvulus	Tyrosine kinase homolog	0.0175	0.8647	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.013	0.5895	0.5011
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0069	0.2213	0.3755
Brugia malayi	steroid hormone receptor	0.013	0.5895	0.5011
Schistosoma mansoni	RAR-like nuclear receptor	0.013	0.5895	1
Brugia malayi	photoreceptor-specific nuclear receptor	0.013	0.5895	0.5011
Schistosoma mansoni	thyroid hormone receptor	0.013	0.5895	1
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0061	0.1772	0.3006
Schistosoma mansoni	coup transcription factor	0.013	0.5895	1
Brugia malayi	hypothetical protein	0.0069	0.2213	0.0537
Echinococcus granulosus	fibroblast growth factor receptor 4	0.0121	0.5393	0.9148

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.67 uM	Inhibition of glutamate/tyrosine (4:1) copolymer phosphorylation by human VEGFR 2 in DELFIA assay	ChEMBL.	16000000
IC50 (binding)	= 0.67 uM	Inhibition of glutamate/tyrosine (4:1) copolymer phosphorylation by human VEGFR 2 in DELFIA assay	ChEMBL.	16000000
IC50 (binding)	= 2.4 uM	Inhibition of glutamate/tyrosine (4:1) copolymer phosphorylation by human FGFR1 in DELFIA assay	ChEMBL.	16000000
IC50 (binding)	= 2.4 uM	Inhibition of glutamate/tyrosine (4:1) copolymer phosphorylation by human FGFR1 in DELFIA assay	ChEMBL.	16000000
IC50 (binding)	= 5.1 uM	Inhibition of glutamate/tyrosine (4:1) copolymer phosphorylation by human fibroblast growth factor receptor 1	ChEMBL.	16000000
IC50 (binding)	= 5.1 uM	Inhibition of glutamate/tyrosine (4:1) copolymer phosphorylation by human fibroblast growth factor receptor 1	ChEMBL.	16000000
IC50 (binding)	> 50 uM	Inhibition of glutamate/tyrosine (4:1) copolymer phosphorylation by mouse platelet-derived growth factor receptor-beta	ChEMBL.	16000000
IC50 (binding)	> 50 uM	Inhibition of glutamate/tyrosine (4:1) copolymer phosphorylation by avian c-Src tyrosine kinase	ChEMBL.	16000000
IC50 (binding)	> 50 uM	Inhibition of glutamate/tyrosine (4:1) copolymer phosphorylation by mouse platelet-derived growth factor receptor-beta	ChEMBL.	16000000
IC50 (binding)	> 50 uM	Inhibition of glutamate/tyrosine (4:1) copolymer phosphorylation by avian c-Src tyrosine kinase	ChEMBL.	16000000

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: CHEMBL189325
PubChem: 5330149

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 333830