TDR Targets

Basic information

Technical information

TDR Targets ID: 339132
Name: N-[2-(tert-butylcarbamoylamino)-3-(3,5-dimeth oxyphenyl)-1,6-naphthyridin-7-yl]-N-(5-phenyl methoxypentyl)acetamide
MW: 613.746 | Formula: C35H43N5O5
H donors: 2 H acceptors: 4 LogP: 5.12 Rotable bonds: 17
Rule of 5 violations (Lipinski): 2
SMILES: COc1cc(OC)cc(c1)c1cc2cnc(cc2nc1NC(=O)NC(C)(C)C)N(C(=O)C)CCCCCOCc1ccccc1
InChi: 1S/C35H43N5O5/c1-24(41)40(15-11-8-12-16-45-23-25-13-9-7-10-14-25)32-21-31-27(22-36-32)19-30(26-17-28(43-5)20-29(18-26)44-6)33(37-31)38-34(42)39-35(2,3)4/h7,9-10,13-14,17-22H,8,11-12,15-16,23H2,1-6H3,(H2,37,38,39,42)
InChiKey: ROOPIYUBEIWTAP-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-(5-benzyloxypentyl)-N-[2-(tert-butylcarbamoylamino)-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-7-yl]acetamide
N-(5-benzyloxypentyl)-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-(5-phenylmethoxypentyl)ethanamide
N-(5-benzoxypentyl)-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-[5-(phenylmethoxy)pentyl]acetamide
N-[2-[[(tert-butylamino)-oxomethyl]amino]-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-7-yl]-N-[5-(phenylmethoxy)pentyl]acetamide
N-[5-(benzyloxy)pentyl]-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-[5-(phenylmethoxy)pentyl]ethanamide
1,6-naphthyridine 40

Targets

Known targets for this compound

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

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	Fibroblast growth factor receptor precursor, putative	Get druggable targets OG5_128769	All targets in OG5_128769
Echinococcus granulosus	fibroblast growth factor receptor 4	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
Echinococcus multilocularis	basic fibroblast growth factor receptor 1 A	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
Brugia malayi	Immunoglobulin I-set domain containing protein	Get druggable targets OG5_130320	All targets in OG5_130320
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
Schistosoma mansoni	tyrosine kinase	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
Onchocerca volvulus	Tyrosine kinase homolog	Get druggable targets OG5_130320	All targets in OG5_130320
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

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
Trypanosoma brucei	rac serine-threonine kinase, putative	0.0042	0.0293	0.5
Trichomonas vaginalis	AGC family protein kinase	0.0042	0.0293	1
Echinococcus granulosus	Immunoglobulin	0.0025	0.0111	0.0348
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0223	0.0223
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0261	0.2727	0.8549
Schistosoma mansoni	nephrin	0.0032	0.0183	0.0573
Brugia malayi	Protein kinase domain containing protein	0.0042	0.0293	0.0293
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.0042	0.0293	0.092
Schistosoma mansoni	defective proboscis extension response (dpr)-related	0.0025	0.0111	0.0348
Echinococcus granulosus	protein kinase c epsilon type	0.0127	0.1235	0.3873
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0152	0.0152
Brugia malayi	Protein kinase c protein 2	0.0017	0.0014	0.0014
Schistosoma mansoni	tyrosine kinase	0.0214	0.2202	0.6903
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0029	0.0152	0.0476
Loa Loa (eye worm)	hypothetical protein	0.014	0.1381	0.1381
Echinococcus multilocularis	raf serine:threonine protein kinase	0.0017	0.0024	0.0075
Echinococcus granulosus	serine:threonine protein kinase N2	0.0261	0.2727	0.8549
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0112	0.1069	0.335
Echinococcus granulosus	neuroglian	0.0032	0.0183	0.0573
Schistosoma mansoni	serine/threonine protein kinase	0.0042	0.0293	0.092
Schistosoma mansoni	vesicular amine transporter	0.0025	0.0111	0.0348
Echinococcus granulosus	N chimaerin	0.0019	0.0037	0.0116
Schistosoma mansoni	tyrosine kinase	0.0123	0.1193	0.3739
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0111	0.0111
Schistosoma mansoni	serine/threonine protein kinase	0.0042	0.0293	0.092
Loa Loa (eye worm)	hypothetical protein	0.014	0.1381	0.1381
Trichomonas vaginalis	AGC family protein kinase	0.0042	0.0293	1
Echinococcus granulosus	NDR protein kinase	0.0042	0.0293	0.092
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0111	0.0111
Brugia malayi	Variant SH3 domain containing protein	0.0019	0.0037	0.0037
Onchocerca volvulus		0.0294	0.3094	0.9903
Echinococcus multilocularis	Immunoglobulin	0.0025	0.0111	0.0348
Echinococcus granulosus	twitchin	0.0033	0.02	0.0626
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0025	0.0111	0.0111
Trichomonas vaginalis	AGC family protein kinase	0.0042	0.0293	1
Echinococcus granulosus	fibroblast growth factor receptor 4	0.0123	0.1193	0.3739
Brugia malayi	Protein kinase domain containing protein	0.0042	0.0293	0.0293
Echinococcus granulosus	defective proboscis extension response	0.0025	0.0111	0.0348
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0127	0.1235	0.1235
Brugia malayi	p70 ribosomal S6 kinase beta	0.0042	0.0293	0.0293
Trichomonas vaginalis	AGC family protein kinase	0.0042	0.0293	1
Brugia malayi	Protein kinase domain containing protein	0.0042	0.0293	0.0293
Echinococcus granulosus	protein kinase c iota type	0.0055	0.0446	0.1399
Schistosoma mansoni	Neurotrimin precursor (hNT)	0.0025	0.0111	0.0348
Echinococcus multilocularis	rho associated protein kinase	0.0295	0.3111	0.9752
Schistosoma mansoni	tyrosine kinase	0.0209	0.2148	0.6734
Echinococcus multilocularis	Immunoglobulin	0.0025	0.0111	0.0348
Echinococcus granulosus	protein kinase C gamma type	0.0043	0.0308	0.0964
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0111	0.0111
Schistosoma mansoni	atypical protein kinase C	0.0055	0.0446	0.1399
Echinococcus multilocularis	tyrosine protein kinase shark	0.0214	0.2202	0.6903
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0129	0.1264	0.1264
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0111	0.0111
Trichomonas vaginalis	AGC family protein kinase	0.0042	0.0293	1
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.0042	0.0293	0.092
Echinococcus granulosus	raf serine:threonine protein kinase	0.0017	0.0024	0.0075
Trichomonas vaginalis	AGC family protein kinase	0.0042	0.0293	1
Schistosoma mansoni	serine/threonine kinase	0.0042	0.0293	0.092
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0111	0.0111
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0223	0.0223
Echinococcus multilocularis	fibroblast growth factor receptor 4	0.0123	0.1193	0.3739
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0071	0.0622	1
Schistosoma mansoni	serine/threonine protein kinase	0.0042	0.0293	0.092
Schistosoma mansoni	cell adhesion molecule	0.0029	0.0152	0.0476
Brugia malayi	RhoGAP domain containing protein	0.0019	0.0037	0.0037
Trichomonas vaginalis	AGC family protein kinase	0.0042	0.0293	1
Loa Loa (eye worm)	TK protein kinase	0.0129	0.1264	0.1264
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0111	0.0111
Schistosoma mansoni	chimerin-related rho-gtpase-activating protein	0.0019	0.0037	0.0116
Echinococcus multilocularis	basement membrane specific heparan sulfate	0.0025	0.0111	0.0348
Echinococcus multilocularis	protein kinase c epsilon type	0.0127	0.1235	0.3873
Echinococcus multilocularis	guanine nucleotide exchange factor VAV2	0.0019	0.0037	0.0116
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.0042	0.0293	0.092
Trichomonas vaginalis	AGC family protein kinase	0.0042	0.0293	1
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.0042	0.0293	0.092
Schistosoma mansoni	vav2	0.0019	0.0037	0.0116
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.0042	0.0293	0.0293
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.0042	0.0293	0.092
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.0042	0.0293	0.0293
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0303	0.319	1
Schistosoma mansoni	serine/threonine protein kinase	0.0017	0.0024	0.0075
Loa Loa (eye worm)	AGC/DMPK/ROCK protein kinase	0.0916	1	1
Trichomonas vaginalis	AGC family protein kinase	0.0042	0.0293	1
Echinococcus granulosus	serine:threonine protein kinase N2	0.0071	0.0622	0.1951
Onchocerca volvulus	Tyrosine kinase homolog	0.0177	0.1793	0.2383
Onchocerca volvulus		0.0167	0.1681	0.1734
Echinococcus multilocularis	basic fibroblast growth factor receptor 1 A	0.0123	0.1193	0.3739
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0042	0.0293	0.0293
Echinococcus multilocularis	serine:threonine protein kinase 38	0.0042	0.0293	0.092
Schistosoma mansoni	serine/threonine protein kinase	0.0057	0.046	0.1443
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0199	0.2043	0.2043
Loa Loa (eye worm)	hypothetical protein	0.0153	0.1533	0.1533
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0042	0.0293	0.0293
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0057	0.046	0.1443
Loa Loa (eye worm)	hypothetical protein	0.014	0.1381	0.1381
Onchocerca volvulus		0.0295	0.3111	1
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0199	0.2043	0.2043
Echinococcus multilocularis	roundabout 2	0.0035	0.0223	0.0701
Loa Loa (eye worm)	hypothetical protein	0.0181	0.1844	0.1844
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.0042	0.0293	0.092
Echinococcus multilocularis	protein kinase c iota type	0.0055	0.0446	0.1399
Loa Loa (eye worm)	RhoGAP domain-containing protein	0.0019	0.0037	0.0037
Schistosoma mansoni	chimerin-related rho-gtpase-activating protein	0.0019	0.0037	0.0116
Loa Loa (eye worm)	thyroid receptor interactor	0.0144	0.1434	0.1434
Echinococcus multilocularis	serine threonine protein kinase	0.0043	0.0308	0.0964
Echinococcus multilocularis	neuroglian	0.0032	0.0183	0.0573
Brugia malayi	hypothetical protein	0.0025	0.0111	0.0111
Schistosoma mansoni	serine/threonine protein kinase	0.0295	0.3111	0.9752
Echinococcus multilocularis	N chimaerin	0.0019	0.0037	0.0116
Echinococcus granulosus	tyrosine protein kinase shark	0.0214	0.2202	0.6903
Echinococcus granulosus	serine:threonine protein kinase N2	0.0303	0.319	1
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.0042	0.0293	0.0293
Echinococcus granulosus	rho-associated protein kinase 1	0.0295	0.3111	0.9752
Schistosoma mansoni	serine/threonine protein kinase	0.0303	0.319	1
Echinococcus granulosus	guanine nucleotide exchange factor VAV2	0.0019	0.0037	0.0116
Schistosoma mansoni	serine/threonine protein kinase	0.0127	0.1235	0.3873
Trichomonas vaginalis	AGC family protein kinase	0.0042	0.0293	1
Loa Loa (eye worm)	AGC/NDR protein kinase	0.0042	0.0293	0.0293
Schistosoma mansoni	serine/threonine protein kinase	0.0057	0.046	0.1443
Loa Loa (eye worm)	AGC/PKN protein kinase	0.0303	0.319	0.319
Brugia malayi	Fes/CIP4 homology domain containing protein	0.0144	0.1434	0.1434
Brugia malayi	protein kinase C II.	0.0127	0.1235	0.1235
Echinococcus granulosus	roundabout 2	0.0035	0.0223	0.0701
Trichomonas vaginalis	AGC family protein kinase	0.0042	0.0293	1
Echinococcus granulosus	Protein kinase C brain isozyme	0.0057	0.046	0.1443
Brugia malayi	Hr1 repeat family protein	0.0303	0.319	0.319
Echinococcus granulosus	basic fibroblast growth factor receptor 1 A	0.0123	0.1193	0.3739
Brugia malayi	Fibronectin type III domain containing protein	0.0025	0.0111	0.0111
Toxoplasma gondii	AGC kinase	0.0042	0.0293	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.65 uM	Inhibition of glutamate/tyrosine (4:1) copolymer phosphorylation by human VEGFR 2 in DELFIA assay	ChEMBL.	16000000
IC50 (binding)	= 0.65 uM	Inhibition of glutamate/tyrosine (4:1) copolymer phosphorylation by human VEGFR 2 in DELFIA assay	ChEMBL.	16000000
IC50 (binding)	= 3.3 uM	Inhibition of glutamate/tyrosine (4:1) copolymer phosphorylation by human FGFR1 in DELFIA assay	ChEMBL.	16000000
IC50 (binding)	= 3.3 uM	Inhibition of glutamate/tyrosine (4:1) copolymer phosphorylation by human FGFR1 in DELFIA assay	ChEMBL.	16000000
IC50 (binding)	= 12 uM	Inhibition of glutamate/tyrosine (4:1) copolymer phosphorylation by human fibroblast growth factor receptor 1	ChEMBL.	16000000
IC50 (binding)	= 12 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: CHEMBL370328
PubChem: 5330150

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 339132