TDR Targets

Basic information

Technical information

TDR Targets ID: 218138
Name: 6-chloro-2-(naphthalen-1-ylmethoxy)pyrimidin- 4-amine
MW: 285.728 | Formula: C15H12ClN3O
H donors: 1 H acceptors: 2 LogP: 3.87 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Nc1nc(OCc2cccc3c2cccc3)nc(c1)Cl
InChi: 1S/C15H12ClN3O/c16-13-8-14(17)19-15(18-13)20-9-11-6-3-5-10-4-1-2-7-12(10)11/h1-8H,9H2,(H2,17,18,19)
InChiKey: ZZZZVQYIUQRCGN-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

6-chloro-2-(1-naphthylmethoxy)pyrimidin-4-amine
6-chloro-2-(1-naphthalenylmethoxy)-4-pyrimidinamine
[6-chloro-2-(1-naphthylmethoxy)pyrimidin-4-yl]amine
6-chloro-2-(1-naphthylmethoxy)-4-pyrimidinamine
AIDS070184
6-Chloro-2-[(1-naphthalenylmethyl)oxy]-4-pyrimidinamine
AIDS-070184

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
Loa Loa (eye worm)	cytochrome P450 family protein	0.003	0.0126	0.0126
Schistosoma mansoni	slit	0.0167	0.1518	0.1518
Loa Loa (eye worm)	hypothetical protein	0.0324	0.3101	0.3101
Plasmodium falciparum	ataxin-2 like protein, putative	0.0021	0.0038	0.5
Brugia malayi	hypothetical protein	0.0185	0.1691	0.1662
Echinococcus granulosus	geminin	0.014	0.1244	0.123
Schistosoma mansoni	peroxidasin	0.1008	1	1
Onchocerca volvulus		0.1008	1	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0137	0.1207	0.1207
Loa Loa (eye worm)	hypothetical protein	0.1008	1	1
Echinococcus multilocularis	slit 2 protein	0.0167	0.1518	0.1504
Schistosoma mansoni	bromodomain containing protein	0.0052	0.0356	0.0356
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0112	0.0112
Loa Loa (eye worm)	hypothetical protein	0.0167	0.1518	0.1518
Echinococcus granulosus	protein jagged 2	0.0167	0.1518	0.1504
Brugia malayi	Animal haem peroxidase family protein	0.1008	1	1
Schistosoma mansoni	hypothetical protein	0.014	0.1244	0.1244
Schistosoma mansoni	notch	0.0167	0.1518	0.1518
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0041	0.0244	0.0209
Loa Loa (eye worm)	animal heme peroxidase	0.1008	1	1
Brugia malayi	Cadherin domain containing protein	0.0167	0.1518	0.1487
Schistosoma mansoni	notch	0.0167	0.1518	0.1518
Echinococcus multilocularis	neurogenic locus protein delta	0.0167	0.1518	0.1504
Loa Loa (eye worm)	blistered cuticle protein 3	0.1008	1	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0137	0.1207	0.1207
Echinococcus granulosus	slit 2 protein	0.0167	0.1518	0.1504
Loa Loa (eye worm)	hypothetical protein	0.0167	0.1518	0.1518
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.003	0.0128	0.0112
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0267	0.2527	0.2527
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.003	0.0128	0.0112
Loa Loa (eye worm)	hypothetical protein	0.0167	0.1518	0.1518
Loa Loa (eye worm)	hypothetical protein	0.1008	1	1
Loa Loa (eye worm)	hypothetical protein	0.1008	1	1
Loa Loa (eye worm)	hypothetical protein	0.1008	1	1
Loa Loa (eye worm)	hypothetical protein	0.0167	0.1518	0.1518
Echinococcus multilocularis	protein jagged 1	0.0167	0.1518	0.1504
Loa Loa (eye worm)	notch protein	0.0167	0.1518	0.1518
Loa Loa (eye worm)	animal heme peroxidase	0.1008	1	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0028	0.0112	0.0077
Echinococcus multilocularis	cathepsin b	0.0137	0.1207	0.1193
Echinococcus granulosus	notch	0.0167	0.1518	0.1504
Onchocerca volvulus	Putative cubilin	0.0167	0.1518	0.131
Schistosoma mansoni	aryl hydrocarbon receptor	0.0055	0.0383	0.0383
Loa Loa (eye worm)	hypothetical protein	0.1008	1	1
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0148	0.0148
Brugia malayi	notch-like transmembrane receptor	0.0167	0.1518	0.1487
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0048	0.031	0.0886
Onchocerca volvulus		0.0167	0.1518	0.131
Echinococcus granulosus	delta-like protein 1	0.0167	0.1518	0.1504
Leishmania major	C-8 sterol isomerase-like protein	0.0324	0.3101	1
Trichomonas vaginalis	AGC family protein kinase	0.0097	0.0806	1
Loa Loa (eye worm)	hypothetical protein	0.0167	0.1518	0.1518
Loa Loa (eye worm)	hypothetical protein	0.0167	0.1518	0.1518
Brugia malayi	Calcium binding EGF domain containing protein	0.0167	0.1518	0.1487
Echinococcus granulosus	cathepsin b	0.0137	0.1207	0.1193
Onchocerca volvulus	Neurogenic locus notch homolog	0.0167	0.1518	0.131
Echinococcus multilocularis	neurogenic locus protein delta	0.0167	0.1518	0.1504
Brugia malayi	GCC2 and GCC3 family protein	0.0167	0.1518	0.1487
Echinococcus granulosus	fibropellin Ia	0.0167	0.1518	0.1504
Onchocerca volvulus		0.0167	0.1518	0.131
Plasmodium vivax	ataxin-2 like protein, putative	0.0021	0.0038	0.5
Schistosoma mansoni	Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)]	0.0167	0.1518	0.1518
Schistosoma mansoni	serine/threonine protein kinase	0.0097	0.0806	0.0806
Trichomonas vaginalis	AGC family protein kinase	0.0097	0.0806	1
Loa Loa (eye worm)	hypothetical protein	0.0167	0.1518	0.1518
Loa Loa (eye worm)	hypoxia-induced factor 1	0.017	0.1547	0.1547
Echinococcus granulosus	single minded 2	0.0041	0.0239	0.0223
Loa Loa (eye worm)	hypothetical protein	0.0167	0.1518	0.1518
Echinococcus multilocularis	neurogenic locus notch protein	0.0167	0.1518	0.1504
Loa Loa (eye worm)	hypothetical protein	0.0166	0.1501	0.1501
Onchocerca volvulus	Peroxidasin homolog	0.1008	1	1
Loa Loa (eye worm)	hypothetical protein	0.0167	0.1518	0.1518
Echinococcus multilocularis	notch	0.0167	0.1518	0.1504
Echinococcus granulosus	neuropeptide receptor A26	0.0528	0.5154	0.5146
Brugia malayi	Muscle positioning protein 4	0.0167	0.1518	0.1487
Schistosoma mansoni	hypothetical protein	0.0167	0.1518	0.1518
Loa Loa (eye worm)	hypothetical protein	0.0167	0.1518	0.1518
Schistosoma mansoni	peroxidasin	0.1008	1	1
Trypanosoma cruzi	C-8 sterol isomerase, putative	0.0324	0.3101	1
Echinococcus multilocularis	peroxidasin	0.1008	1	1
Brugia malayi	hypothetical protein	0.0021	0.0038	0.0002
Loa Loa (eye worm)	hypothetical protein	0.0167	0.1518	0.1518
Echinococcus multilocularis	neuropeptide receptor A26	0.0528	0.5154	0.5146
Loa Loa (eye worm)	hypothetical protein	0.0167	0.1518	0.1518
Brugia malayi	ERG2 and Sigma1 receptor like protein	0.0324	0.3101	0.3076
Echinococcus multilocularis	neural cadherin	0.0167	0.1518	0.1504
Echinococcus multilocularis	neurogenic locus notch protein 4	0.0167	0.1518	0.1504
Echinococcus multilocularis	protein jagged 2	0.0167	0.1518	0.1504
Loa Loa (eye worm)	hypothetical protein	0.0167	0.1518	0.1518
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0048	0.031	0.0886
Echinococcus granulosus	neurogenic locus notch protein 4	0.0167	0.1518	0.1504
Schistosoma mansoni	single-minded	0.0055	0.0383	0.0383
Brugia malayi	follicle stimulating hormone receptor	0.0267	0.2527	0.25
Brugia malayi	Bromodomain containing protein	0.0032	0.0148	0.0112
Onchocerca volvulus	Peroxidase homolog	0.1008	1	1
Schistosoma mansoni	hypothetical protein	0.014	0.1244	0.1244
Echinococcus multilocularis	geminin	0.014	0.1244	0.123
Schistosoma mansoni	notch	0.0167	0.1518	0.1518
Loa Loa (eye worm)	hypothetical protein	0.1008	1	1
Loa Loa (eye worm)	hypothetical protein	0.0167	0.1518	0.1518
Echinococcus granulosus	neurogenic locus notch protein	0.0167	0.1518	0.1504
Schistosoma mansoni	septate junction protein	0.0167	0.1518	0.1518
Schistosoma mansoni	laminin gamma-3 chain	0.0167	0.1518	0.1518
Schistosoma mansoni	hypothetical protein	0.0167	0.1518	0.1518
Brugia malayi	Animal haem peroxidase family protein	0.1008	1	1
Echinococcus multilocularis	neurogenic locus notch protein	0.0167	0.1518	0.1504
Echinococcus multilocularis	fat cadherin tumor suppressor	0.0167	0.1518	0.1504
Giardia lamblia	High cysteine protein	0.0167	0.1518	1
Schistosoma mansoni	cell polarity protein	0.0167	0.1518	0.1518
Loa Loa (eye worm)	hypothetical protein	0.0167	0.1518	0.1518
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0019	0.0016	0.0016
Echinococcus multilocularis	fibropellin Ia	0.0167	0.1518	0.1504
Brugia malayi	Cytochrome P450 family protein	0.003	0.0126	0.0091
Schistosoma mansoni	hypothetical protein	0.0167	0.1518	0.1518
Onchocerca volvulus	Dual oxidase homolog	0.1008	1	1
Echinococcus multilocularis	neuropeptide s receptor	0.0528	0.5154	0.5146
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0041	0.0244	0.0209
Schistosoma mansoni	notch	0.0167	0.1518	0.1518
Echinococcus multilocularis	cathepsin b	0.0137	0.1207	0.1193
Brugia malayi	Animal haem peroxidase family protein	0.1008	1	1
Loa Loa (eye worm)	hypothetical protein	0.1008	1	1
Onchocerca volvulus	Peroxidasin homolog	0.1008	1	1
Loa Loa (eye worm)	hypothetical protein	0.1008	1	1
Loa Loa (eye worm)	hypothetical protein	0.1008	1	1
Trichomonas vaginalis	AGC family protein kinase	0.0097	0.0806	1
Brugia malayi	EGF-like domain containing protein	0.0167	0.1518	0.1487
Loa Loa (eye worm)	hypothetical protein	0.0167	0.1518	0.1518
Echinococcus multilocularis	3 phosphoinositide dependent protein kinase 1	0.0097	0.0806	0.0792
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0137	0.1207	0.1207
Loa Loa (eye worm)	hypothetical protein	0.0167	0.1518	0.1518
Loa Loa (eye worm)	AGC/PDK1 protein kinase	0.0097	0.0806	0.0806
Echinococcus granulosus	neural cadherin	0.0167	0.1518	0.1504
Toxoplasma gondii	EGF family domain-containing protein	0.0167	0.1518	1
Loa Loa (eye worm)	hypothetical protein	0.0167	0.1518	0.1518
Echinococcus granulosus	3-phosphoinositide-dependent protein kinase 1	0.0097	0.0806	0.0792
Brugia malayi	phosphoinositide-dependent protein kinase I	0.0097	0.0806	0.0773
Loa Loa (eye worm)	animal heme peroxidase	0.1008	1	1
Brugia malayi	cathepsin B-like cysteine proteinase	0.0137	0.1207	0.1175
Brugia malayi	Bromodomain containing protein	0.0062	0.0454	0.042
Echinococcus granulosus	neuropeptide s receptor	0.0528	0.5154	0.5146
Toxoplasma gondii	cathepsin B	0.0048	0.031	0.1834
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0184	0.0184
Brugia malayi	hypoxia-induced factor 1	0.017	0.1547	0.1517
Loa Loa (eye worm)	hypothetical protein	0.0185	0.1691	0.1691
Plasmodium falciparum	ataxin-2 like protein, putative	0.0021	0.0038	0.5
Brugia malayi	EGF-like domain containing protein	0.0167	0.1518	0.1487
Brugia malayi	bHLH-PAS transcription factor	0.0041	0.0239	0.0204
Loa Loa (eye worm)	Notch2	0.0167	0.1518	0.1518
Onchocerca volvulus	Neurogenic locus notch protein homolog	0.0167	0.1518	0.131
Loa Loa (eye worm)	hypothetical protein	0.1008	1	1
Loa Loa (eye worm)	cathepsin B	0.0048	0.031	0.031
Brugia malayi	Delta serrate ligand family protein	0.0167	0.1518	0.1487
Loa Loa (eye worm)	animal heme peroxidase	0.1008	1	1
Brugia malayi	Peroxidasin	0.1008	1	1
Brugia malayi	Blistered cuticle protein 3	0.1008	1	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0244	0.0244
Echinococcus multilocularis	protein jagged 1	0.0167	0.1518	0.1504
Schistosoma mansoni	hypothetical protein	0.0167	0.1518	0.1518
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0137	0.1207	0.3815
Loa Loa (eye worm)	hypothetical protein	0.1008	1	1
Mycobacterium ulcerans	putative regulatory protein	0.0041	0.0239	0.5
Loa Loa (eye worm)	hypothetical protein	0.1008	1	1
Loa Loa (eye worm)	hypothetical protein	0.0137	0.1207	0.1207
Onchocerca volvulus		0.1008	1	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0048	0.031	0.0886
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0048	0.031	0.031
Echinococcus granulosus	protein jagged 2	0.0167	0.1518	0.1504
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0137	0.1207	0.1207
Brugia malayi	Protein kinase domain containing protein	0.0097	0.0806	0.0773
Loa Loa (eye worm)	hypothetical protein	0.0167	0.1518	0.1518
Brugia malayi	EGF-like domain containing protein	0.0167	0.1518	0.1487
Onchocerca volvulus		0.0167	0.1518	0.131
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0038	0.0038
Echinococcus multilocularis	transfer RNA-Lys	0.0041	0.0239	0.0223
Loa Loa (eye worm)	hypothetical protein	0.1008	1	1
Onchocerca volvulus		0.1008	1	1
Brugia malayi	PAS domain containing protein	0.0055	0.0383	0.0349
Onchocerca volvulus	Peroxidase homolog	0.1008	1	1
Schistosoma mansoni	hypothetical protein	0.0167	0.1518	0.1518
Echinococcus granulosus	cathepsin b	0.0137	0.1207	0.1193
Schistosoma mansoni	notch	0.0167	0.1518	0.1518
Brugia malayi	Calcium binding EGF domain containing protein	0.0167	0.1518	0.1487
Onchocerca volvulus	Chorion peroxidase homolog	0.1008	1	1
Loa Loa (eye worm)	hypothetical protein	0.1008	1	1
Brugia malayi	EGF-like domain containing protein	0.0167	0.1518	0.1487
Brugia malayi	Cadherin domain containing protein	0.0167	0.1518	0.1487
Echinococcus granulosus	peroxidasin	0.1008	1	1
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0168	0.0168
Brugia malayi	EGF-like domain containing protein	0.0167	0.1518	0.1487
Brugia malayi	EGF-like domain containing protein	0.0167	0.1518	0.1487
Schistosoma mansoni	notch	0.0167	0.1518	0.1518
Echinococcus granulosus	protein jagged 1	0.0167	0.1518	0.1504
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0049	0.0327	0.0311
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.0167	0.1518	0.1487
Trypanosoma brucei	C-8 sterol isomerase, putative	0.0324	0.3101	1
Entamoeba histolytica	protein kinase, putative	0.0097	0.0806	0.5
Brugia malayi	Animal haem peroxidase family protein	0.1008	1	1
Brugia malayi	EGF-like domain containing protein	0.0167	0.1518	0.1487
Brugia malayi	Animal haem peroxidase family protein	0.1008	1	1
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0049	0.0327	0.0311
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0419	0.0419
Loa Loa (eye worm)	hypothetical protein	0.0167	0.1518	0.1518
Loa Loa (eye worm)	hypothetical protein	0.0167	0.1518	0.1518
Onchocerca volvulus		0.0167	0.1518	0.131
Onchocerca volvulus		0.0167	0.1518	0.131
Onchocerca volvulus	Slit protein homolog	0.0167	0.1518	0.131
Loa Loa (eye worm)	hypothetical protein	0.0167	0.1518	0.1518
Schistosoma mansoni	hypothetical protein	0.0028	0.0112	0.0112
Echinococcus granulosus	neurogenic locus protein delta	0.0167	0.1518	0.1504
Brugia malayi	Calcium binding EGF domain containing protein	0.0167	0.1518	0.1487
Echinococcus granulosus	neurogenic locus notch protein	0.0167	0.1518	0.1504
Echinococcus granulosus	protein jagged 1	0.0167	0.1518	0.1504
Schistosoma mansoni	hypothetical protein	0.0167	0.1518	0.1518
Loa Loa (eye worm)	AGC/PDK1 protein kinase	0.0097	0.0806	0.0806
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0041	0.0244	0.0244
Schistosoma mansoni	hypothetical protein	0.0167	0.1518	0.1518

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (binding)	= 2 %	Inhibitory activity against HIV-1 reverse transcriptase (wild type) at 10 microM dose	ChEMBL.	9748354
Inhibition (binding)	= 2 %	Inhibitory activity against HIV-1 reverse transcriptase (wild type) at 10 microM dose	ChEMBL.	9748354
Inhibition (binding)	= 67 %	Inhibitory activity against HIV-1 reverse transcriptase (P236L) at 10 microM dose	ChEMBL.	9748354
Inhibition (binding)	= 67 %	Inhibitory activity against HIV-1 reverse transcriptase (P236L) at 10 microM dose	ChEMBL.	9748354

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: CHEMBL125305
PubChem: 470508

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 218138