TDR Targets

Basic information

Technical information

TDR Targets ID: 188973
Name: 4-[4-(naphthalen-2-ylmethoxy)phenyl]-4-[4-(qu inolin-2-ylmethoxy)phenyl]pentanoic acid
MW: 567.673 | Formula: C38H33NO4
H donors: 1 H acceptors: 3 LogP: 8.52 Rotable bonds: 11
Rule of 5 violations (Lipinski): 2
SMILES: OC(=O)CCC(c1ccc(cc1)OCc1ccc2c(n1)cccc2)(c1ccc(cc1)OCc1ccc2c(c1)cccc2)C
InChi: 1S/C38H33NO4/c1-38(23-22-37(40)41,31-13-18-34(19-14-31)42-25-27-10-11-28-6-2-3-8-30(28)24-27)32-15-20-35(21-16-32)43-26-33-17-12-29-7-4-5-9-36(29)39-33/h2-21,24H,22-23,25-26H2,1H3,(H,40,41)
InChiKey: DNPLHAZFJZIGBU-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

4-[4-(2-naphthylmethoxy)phenyl]-4-[4-(2-quinolylmethoxy)phenyl]pentanoic acid
4-[4-(2-naphthalenylmethoxy)phenyl]-4-[4-(2-quinolylmethoxy)phenyl]pentanoic acid
4-[4-(2-naphthylmethoxy)phenyl]-4-[4-(2-quinolylmethoxy)phenyl]valeric acid

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		0.0169	0.0304	0.0074
Plasmodium vivax	protein kinase Crk2	0.022	0.0494	1
Brugia malayi	Carboxylesterase family protein	0.0169	0.0304	0.0074
Loa Loa (eye worm)	carboxylesterase	0.0169	0.0304	0.0304
Echinococcus multilocularis	cyclin dependent kinase 1	0.022	0.0494	0.0269
Entamoeba histolytica	cell division protein kinase 2, putative	0.022	0.0494	1
Trypanosoma cruzi	cdc2-related kinase 3	0.022	0.0494	1
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0169	0.0304	1
Schistosoma mansoni	gliotactin	0.0169	0.0304	0.0074
Onchocerca volvulus		0.0169	0.0304	0.0074
Trichomonas vaginalis	cyclin B, putative	0.015	0.0231	0.0176
Trypanosoma brucei	cdc2-related kinase 1	0.022	0.0494	1
Brugia malayi	hypothetical protein	0.0169	0.0304	0.0074
Onchocerca volvulus	Dual specificity protein kinase TTK homolog	0.2783	1	1
Onchocerca volvulus	Lactoylglutathione lyase homolog	0.0154	0.0248	0.0017
Trypanosoma cruzi	cdc2-related kinase 1	0.022	0.0494	1
Echinococcus multilocularis	carboxylesterase 5A	0.1001	0.3389	0.3232
Brugia malayi	Stress-activated protein kinase jnk-1	0.0296	0.0775	0.0557
Brugia malayi	4-hydroxyphenylpyruvate dioxygenase family protein	0.1049	0.3569	0.3416
Loa Loa (eye worm)	hypothetical protein	0.0169	0.0304	0.0304
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0169	0.0304	0.0074
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0169	0.0304	0.0074
Trichomonas vaginalis	conserved hypothetical protein	0.0154	0.0248	0.0193
Echinococcus granulosus	acetylcholinesterase	0.1001	0.3389	0.3232
Brugia malayi	lactoylglutathione lyase	0.0154	0.0248	0.0017
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0169	0.0304	1
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0169	0.0304	1
Trichomonas vaginalis	cyclins, putative	0.015	0.0231	0.0176
Schistosoma mansoni	acetylcholinesterase	0.0169	0.0304	0.0074
Brugia malayi	cell division control protein 2 homolog	0.022	0.0494	0.0269
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0169	0.0304	0.0074
Trichomonas vaginalis	cyclin B, putative	0.015	0.0231	0.0176
Loa Loa (eye worm)	hypothetical protein	0.0169	0.0304	0.0304
Echinococcus granulosus	cyclin dependent kinase 1	0.022	0.0494	0.0269
Trichomonas vaginalis	cyclins, putative	0.015	0.0231	0.0176
Loa Loa (eye worm)	CMGC/CDK/CDK5 protein kinase	0.022	0.0494	0.0494
Echinococcus granulosus	cyclin dependent kinase 5	0.022	0.0494	0.0269
Echinococcus multilocularis	para nitrobenzyl esterase	0.0169	0.0304	0.0074
Loa Loa (eye worm)	hypothetical protein	0.0169	0.0304	0.0304
Brugia malayi	Carboxylesterase family protein	0.1001	0.3389	0.3232
Trypanosoma cruzi	cdc2-related kinase 1	0.022	0.0494	1
Plasmodium falciparum	protein kinase 5	0.022	0.0494	1
Brugia malayi	Carboxylesterase family protein	0.0169	0.0304	0.0074
Loa Loa (eye worm)	hypothetical protein	0.1001	0.3389	0.3389
Schistosoma mansoni	serine/threonine protein kinase	0.022	0.0494	0.0269
Trichomonas vaginalis	cyclins, putative	0.015	0.0231	0.0176
Leishmania major	cell division protein kinase 2,cdc2-related kinase	0.022	0.0494	1
Loa Loa (eye worm)	hypothetical protein	0.015	0.0231	0.0231
Trypanosoma cruzi	lactoylglutathione lyase-like protein, putative	0.0154	0.0248	0.0625
Loa Loa (eye worm)	hypothetical protein	0.0169	0.0304	0.0304
Schistosoma mansoni	serine/threonine protein kinase	0.0296	0.0775	0.0557
Trichomonas vaginalis	cyclins, putative	0.015	0.0231	0.0176
Trichomonas vaginalis	CAMK family protein kinase	0.2783	1	1
Echinococcus granulosus	carboxylesterase 5A	0.1001	0.3389	0.3232
Trichomonas vaginalis	cyclin B, putative	0.015	0.0231	0.0176
Giardia lamblia	Kinase, CMGC CDK	0.022	0.0494	0.0269
Loa Loa (eye worm)	hypothetical protein	0.0169	0.0304	0.0304
Loa Loa (eye worm)	carboxylesterase	0.0169	0.0304	0.0304
Loa Loa (eye worm)	carboxylesterase	0.1001	0.3389	0.3389
Echinococcus granulosus	BC026374 protein S09 family	0.0169	0.0304	0.0074
Echinococcus granulosus	c-Jun N-terminal kinases	0.0296	0.0775	0.0557
Trichomonas vaginalis	spcc417.12 protein, putative	0.0169	0.0304	0.0249
Echinococcus granulosus	acetylcholinesterase	0.1001	0.3389	0.3232
Giardia lamblia	Kinase, TTK	0.2783	1	1
Echinococcus granulosus	5'partial\|cyclin dependent kinase 1	0.022	0.0494	0.0269
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0169	0.0304	0.0074
Loa Loa (eye worm)	hypothetical protein	0.015	0.0231	0.0231
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0169	0.0304	0.0074
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.1001	0.3389	0.3232
Trichomonas vaginalis	cyclin A, putative	0.015	0.0231	0.0176
Loa Loa (eye worm)	CMGC/MAPK/JNK protein kinase	0.0296	0.0775	0.0775
Echinococcus multilocularis	cyclin dependent kinase 5	0.022	0.0494	0.0269
Trichomonas vaginalis	cyclin B, putative	0.015	0.0231	0.0176
Trichomonas vaginalis	conserved hypothetical protein	0.0154	0.0248	0.0193
Leishmania major	glyoxalase I,trypanothione-dependent glyoxalase I	0.0154	0.0248	0.0625
Schistosoma mansoni	serine/threonine protein kinase	0.022	0.0494	0.0269
Giardia lamblia	Kinase, CMGC CDK	0.022	0.0494	0.0269
Schistosoma mansoni	4-hydroxyphenylpyruvate dioxygenase	0.0154	0.0248	0.0017
Onchocerca volvulus	Putative protein	0.1049	0.3569	0.3416
Loa Loa (eye worm)	hypothetical protein	0.1001	0.3389	0.3389
Trypanosoma cruzi	lactoylglutathione lyase-like protein, putative	0.0154	0.0248	0.0625
Echinococcus granulosus	para nitrobenzyl esterase	0.0169	0.0304	0.0074
Trichomonas vaginalis	CMGC family protein kinase	0.022	0.0494	0.0441
Brugia malayi	Carboxylesterase family protein	0.0169	0.0304	0.0074
Leishmania major	cell division related protein kinase 2,cdc2-related kinase	0.022	0.0494	1
Mycobacterium ulcerans	carboxylesterase, LipT	0.0169	0.0304	1
Loa Loa (eye worm)	acetylcholinesterase 1	0.1001	0.3389	0.3389
Echinococcus multilocularis	cyclin dependent kinase 1	0.022	0.0494	0.0269
Echinococcus granulosus	dual specificity serine:threonine tyrosine	0.2783	1	1
Echinococcus multilocularis	cyclin dependent kinase	0.022	0.0494	0.0269
Onchocerca volvulus		0.0169	0.0304	0.0074
Loa Loa (eye worm)	hypothetical protein	0.0169	0.0304	0.0304
Brugia malayi	Protein kinase domain containing protein	0.022	0.0494	0.0269
Loa Loa (eye worm)	hypothetical protein	0.0169	0.0304	0.0304
Onchocerca volvulus		0.0169	0.0304	0.0074
Toxoplasma gondii	cell-cycle-associated protein kinase CDK, putative	0.022	0.0494	1
Loa Loa (eye worm)	TTK protein kinase	0.2783	1	1
Loa Loa (eye worm)	hypothetical protein	0.02	0.0418	0.0418
Echinococcus multilocularis	acetylcholinesterase	0.1001	0.3389	0.3232
Entamoeba histolytica	cell division protein kinase 2, putative	0.022	0.0494	1
Loa Loa (eye worm)	4-hydroxyphenylpyruvate dioxygenase	0.1049	0.3569	0.3569
Trichomonas vaginalis	CMGC family protein kinase	0.022	0.0494	0.0441
Echinococcus multilocularis	neuroligin	0.0169	0.0304	0.0074
Brugia malayi	Carboxylesterase family protein	0.0169	0.0304	0.0074
Trypanosoma brucei	cdc2-related kinase 3	0.022	0.0494	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0169	0.0304	0.0074
Echinococcus granulosus	cyclin dependent kinase	0.022	0.0494	0.0269
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0169	0.0304	0.0249
Echinococcus multilocularis	acetylcholinesterase	0.1001	0.3389	0.3232
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0169	0.0304	0.0074
Loa Loa (eye worm)	hypothetical protein	0.0154	0.0248	0.0248
Brugia malayi	Carboxylesterase family protein	0.1001	0.3389	0.3232
Trypanosoma cruzi	cdc2-related kinase 3	0.022	0.0494	1
Echinococcus granulosus	neuroligin	0.0169	0.0304	0.0074
Onchocerca volvulus		0.0169	0.0304	0.0074
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.022	0.0494	0.0494
Schistosoma mansoni	dual specificity serine/threonine tyrosine kinase	0.2783	1	1
Trichomonas vaginalis	CMGC family protein kinase	0.022	0.0494	0.0441
Schistosoma mansoni	BC026374 protein (S09 family)	0.0169	0.0304	0.0074
Echinococcus multilocularis	dual specificity serine:threonine tyrosine	0.2783	1	1
Schistosoma mansoni	gynecophoral canal protein	0.0154	0.0248	0.0017
Mycobacterium leprae	conserved hypothetical protein	0.0154	0.0248	0.5
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.022	0.0494	0.0494
Echinococcus multilocularis	c Jun NH2 terminal kinase	0.0296	0.0775	0.0557
Trichomonas vaginalis	CAMK family protein kinase	0.2783	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (functional)	= 55 %	Inhibition of leukotriene production in an ionophore-induced rat pleurisy model at 3 mg/kg	ChEMBL.	10966751
Inhibition (functional)	= 93 %	Inhibition of calcium ionophore (A-23187) -stimulated leukotriene B4 (LTB4) formation in human neutrophils at 390 nM	ChEMBL.	10966751
Inhibition (functional)	= 93 %	Inhibition of calcium ionophore (A-23187) -stimulated leukotriene B4 (LTB4) formation in human neutrophils at 390 nM	ChEMBL.	10966751

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: CHEMBL115242
PubChem: 22911528

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 188973