TDR Targets

Basic information

Technical information

TDR Targets ID: 1458908
Name: naphthalen-2-yl-[4-(phenylmethyl)piperazin-1- yl]methanone
MW: 330.423 | Formula: C22H22N2O
H donors: 0 H acceptors: 1 LogP: 3.94 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1ccc2c(c1)cccc2)N1CCN(CC1)Cc1ccccc1
InChi: 1S/C22H22N2O/c25-22(21-11-10-19-8-4-5-9-20(19)16-21)24-14-12-23(13-15-24)17-18-6-2-1-3-7-18/h1-11,16H,12-15,17H2
InChiKey: FTMPTWFDWYDDTJ-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

2-naphthyl-[4-(phenylmethyl)piperazin-1-yl]methanone
2-naphthyl-[4-(phenylmethyl)-1-piperazinyl]methanone
[4-(benzyl)piperazin-1-yl]-(2-naphthyl)methanone
T5491002

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	breast cancer 1, early onset	Starlite/ChEMBL	No references
Homo sapiens	Niemann-Pick disease, type C1	Starlite/ChEMBL	No references
Homo sapiens	ATPase family, AAA domain containing 5	Starlite/ChEMBL	No references
Homo sapiens	tumor protein p53	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	Niemann Pick C1 protein	Get druggable targets OG5_128206	All targets in OG5_128206
Schistosoma japonicum	Niemann-Pick C1 protein precursor, putative	Get druggable targets OG5_128206	All targets in OG5_128206
Echinococcus multilocularis	Niemann Pick C1 protein	Get druggable targets OG5_128206	All targets in OG5_128206
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128206	All targets in OG5_128206
Echinococcus multilocularis	expressed conserved protein	Get druggable targets OG5_128206	All targets in OG5_128206
Entamoeba histolytica	Niemann-Pick C1 protein, putative	Get druggable targets OG5_128206	All targets in OG5_128206
Brugia malayi	Niemann-Pick C1 protein precursor	Get druggable targets OG5_128206	All targets in OG5_128206
Echinococcus granulosus	expressed conserved protein	Get druggable targets OG5_128206	All targets in OG5_128206
Candida albicans	potential membrane protein similar to S. cerevisiae NCR1 (YPL006W) and human NPC1 late endosomal protein involved in sterol home	Get druggable targets OG5_128206	All targets in OG5_128206
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	Get druggable targets OG5_139225	All targets in OG5_139225
Echinococcus granulosus	tumor protein p63	Get druggable targets OG5_140038	All targets in OG5_140038
Echinococcus granulosus	Niemann Pick C1 protein	Get druggable targets OG5_128206	All targets in OG5_128206
Schistosoma japonicum	ko:K07003 Niemann Pick type C1, putative	Get druggable targets OG5_128206	All targets in OG5_128206
Echinococcus multilocularis	Niemann Pick C1 protein	Get druggable targets OG5_128206	All targets in OG5_128206
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128206	All targets in OG5_128206
Echinococcus multilocularis	tumor protein p63	Get druggable targets OG5_140038	All targets in OG5_140038
Schistosoma japonicum	Niemann-Pick C1 protein precursor, putative	Get druggable targets OG5_128206	All targets in OG5_128206
Schistosoma mansoni	niemann-pick C1 (NPC1)	Get druggable targets OG5_128206	All targets in OG5_128206

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 cruzi	carbonic anhydrase-like protein, putative	0.5466	1	1
Echinococcus granulosus	carbonic anhydrase	0.2738	0.4975	0.4961
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0122	0.0157	0.0157
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0089	0.0098	0.0085
Trichomonas vaginalis	conserved hypothetical protein	0.3354	0.611	1
Echinococcus granulosus	Alpha N acetylgalactosaminidase	0.0119	0.0152	0.0125
Mycobacterium ulcerans	carbonic anhydrase	0.3354	0.611	0.9634
Leishmania major	mitochondrial DNA polymerase beta	0.0257	0.0407	0.0379
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0119	0.0152	0.0128
Plasmodium falciparum	carbonic anhydrase	0.2738	0.4975	0.5
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0122	0.0157	0.0157
Brugia malayi	Muscleblind-like protein	0.0465	0.079	0.0778
Brugia malayi	Niemann-Pick C1 protein precursor	0.0119	0.0152	0.0139
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.2738	0.4975	0.4969
Trichomonas vaginalis	alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative	0.0079	0.0079	0.0085
Echinococcus granulosus	muscleblind protein	0.0465	0.079	0.0765
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0257	0.0407	0.0407
Schistosoma mansoni	hypothetical protein	0.0331	0.0544	0.0521
Toxoplasma gondii	aldehyde dehydrogenase	0.0052	0.0029	0.0038
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0089	0.0098	0.0085
Loa Loa (eye worm)	hypothetical protein	0.0465	0.079	0.0778
Mycobacterium leprae	CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE)	0.3479	0.6341	0.5
Echinococcus multilocularis	carbonic anhydrase II	0.5466	1	1
Echinococcus granulosus	carbonic anhydrase	0.2738	0.4975	0.4961
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0089	0.0098	0.0074
Echinococcus multilocularis	expressed conserved protein	0.0112	0.0139	0.0112
Echinococcus granulosus	tumor protein p63	0.0408	0.0685	0.0659
Schistosoma mansoni	aldehyde dehydrogenase	0.0052	0.0029	0.0005
Leishmania major	carbonic anhydrase family protein, putative	0.3479	0.6341	0.6331
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0089	0.0098	0.0074
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.5466	1	1
Schistosoma mansoni	cellular tumor antigen P53	0.006	0.0043	0.0019
Loa Loa (eye worm)	hypothetical protein	0.0465	0.079	0.0778
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0079	0.0079	0.0055
Entamoeba histolytica	carbonic anhydrase, putative	0.3479	0.6341	1
Schistosoma mansoni	carbonic anhydrase-related	0.2738	0.4975	0.4963
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.5466	1	1
Echinococcus granulosus	geminin	0.0331	0.0544	0.0518
Leishmania major	carbonic anhydrase-like protein	0.5466	1	1
Trichomonas vaginalis	STE family protein kinase	0.0301	0.0488	0.0757
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.5466	1	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0052	0.0029	0.0005
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0257	0.0407	0.0407
Echinococcus granulosus	dual specificity mitogen activated protein	0.0301	0.0488	0.0462
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0257	0.0407	0.0407
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0119	0.0152	0.0128
Toxoplasma gondii	hypothetical protein	0.2738	0.4975	1
Echinococcus granulosus	carbonic anhydrase	0.2738	0.4975	0.4961
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.2738	0.4975	0.4969
Echinococcus granulosus	Niemann Pick C1 protein	0.0119	0.0152	0.0125
Echinococcus granulosus	carbonic anhydrase II	0.5466	1	1
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0079	0.0079	0.0055
Mycobacterium tuberculosis	Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase)	0.1264	0.2262	0.5604
Mycobacterium ulcerans	hypothetical protein	0.0135	0.0183	0.0244
Echinococcus multilocularis	Glycoside hydrolase, family 27	0.0119	0.0152	0.0125
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.2738	0.4975	0.4969
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0979	0.1737	0.1714
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.5466	1	1
Echinococcus multilocularis	Niemann Pick C1 protein	0.0119	0.0152	0.0125
Loa Loa (eye worm)	STE/STE7/MEK1 protein kinase	0.0301	0.0488	0.0475
Loa Loa (eye worm)	hypothetical protein	0.2738	0.4975	0.4969
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0089	0.0098	0.0071
Echinococcus multilocularis	Niemann Pick C1 protein	0.017	0.0246	0.022
Mycobacterium tuberculosis	Beta-carbonic anhydrase	0.209	0.3782	0.9421
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0089	0.0098	0.0071
Echinococcus granulosus	Niemann Pick C1 protein	0.017	0.0246	0.022
Echinococcus multilocularis	geminin	0.0331	0.0544	0.0518
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0052	0.0029	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0049	0.0036
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0052	0.0029	0.0001
Schistosoma mansoni	carbonic anhydrase	0.2738	0.4975	0.4963
Loa Loa (eye worm)	hypothetical protein	0.0119	0.0152	0.0139
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0121	0.0156	0.0132
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0089	0.0098	0.0074
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0051	0.0027	0.0014
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0119	0.0152	0.0128
Loa Loa (eye worm)	hypothetical protein	0.3931	0.7173	0.717
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0119	0.0152	0.0128
Echinococcus multilocularis	carbonic anhydrase	0.2738	0.4975	0.4961
Echinococcus multilocularis	dual specificity mitogen activated protein	0.0301	0.0488	0.0462
Loa Loa (eye worm)	hypothetical protein	0.006	0.0043	0.003
Trypanosoma brucei	mitogen-activated protein kinase kinase 5	0.0301	0.0488	0.0488
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.2738	0.4975	0.4969
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0135	0.0183	0.0387
Brugia malayi	CHE-14 protein	0.0051	0.0027	0.0014
Schistosoma mansoni	hypothetical protein	0.2738	0.4975	0.4963
Schistosoma mansoni	carbonic anhydrase	0.3479	0.6341	0.6332
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0089	0.0098	0.0071
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0089	0.0098	0.0071
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0027	0.0014
Mycobacterium ulcerans	carbonic anhydrase	0.3479	0.6341	1
Schistosoma mansoni	protein kinase	0.0301	0.0488	0.0465
Brugia malayi	Dual specificity mitogen-activated protein kinase kinase mek-2	0.0301	0.0488	0.0475
Giardia lamblia	Kinase, STE STE20	0.0301	0.0488	0.5
Echinococcus granulosus	expressed conserved protein	0.0112	0.0139	0.0112
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.2738	0.4975	0.4969
Schistosoma mansoni	hypothetical protein	0.0331	0.0544	0.0521
Onchocerca volvulus		0.006	0.0043	0.5
Echinococcus multilocularis	Alpha N acetylgalactosaminidase	0.0119	0.0152	0.0125
Loa Loa (eye worm)	carbonic anhydrase 3	0.5466	1	1
Trichomonas vaginalis	STE family protein kinase	0.0301	0.0488	0.0757
Brugia malayi	Melibiase family protein	0.0079	0.0079	0.0066
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.5466	1	1
Echinococcus multilocularis	carbonic anhydrase	0.2738	0.4975	0.4961
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0044	0.0015	0.0015
Echinococcus multilocularis	tumor protein p63	0.0408	0.0685	0.0659
Trypanosoma cruzi	mitogen-activated protein kinase kinase 5	0.0301	0.0488	0.0488
Toxoplasma gondii	melibiase subfamily protein	0.0119	0.0152	0.0286
Echinococcus multilocularis	carbonic anhydrase	0.2738	0.4975	0.4961
Schistosoma mansoni	carbonic anhydrase-related	0.2738	0.4975	0.4963
Mycobacterium tuberculosis	Beta-carbonic anhydrase CanB	0.2215	0.4013	1
Schistosoma mansoni	carbonic anhydrase-related	0.2738	0.4975	0.4963
Loa Loa (eye worm)	hypothetical protein	0.2738	0.4975	0.4969
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0122	0.0157	0.0129
Echinococcus multilocularis	protein dispatched 1	0.0058	0.0041	0.0013
Leishmania major	mitogen-activated protein kinase kinase 5, putative;with=GeneDB:LmxM36.0860	0.0301	0.0488	0.0461
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0079	0.0066
Trichomonas vaginalis	STE family protein kinase	0.0301	0.0488	0.0757
Trypanosoma brucei	carbonic anhydrase-like protein	0.5466	1	1
Echinococcus multilocularis	muscleblind protein	0.0465	0.079	0.0765
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.2738	0.4975	0.4969
Schistosoma mansoni	patched 1	0.0051	0.0027	0.0003
Trichomonas vaginalis	conserved hypothetical protein	0.3354	0.611	1
Echinococcus multilocularis	muscleblind protein 1	0.0465	0.079	0.0765

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 2.2387 um	PUBCHEM_BIOASSAY: qHTS Assay for NPC1 Promoter Activators. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	6.5104 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)	12.5893 uM	PubChem BioAssay. qHTS Assay to Identify Small Molecule Activators of BRCA1 Expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	13.1154 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)	14.1254 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)	14.7157 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)	21.3313 uM	PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411]	ChEMBL.	No reference
Potency (functional)	28.1838 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the Phosphatase Activity of Eya2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488939]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference
Potency (functional)	100 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
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: CHEMBL1608921

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 1458908