TDR Targets

Basic information

Technical information

TDR Targets ID: 187870
Name: N,N-diethyl-4-phenoxazin-10-ylbutan-1-amine
MW: 310.433 | Formula: C20H26N2O
H donors: 0 H acceptors: 0 LogP: 4.69 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CCN(CCCCN1c2ccccc2Oc2c1cccc2)CC
InChi: 1S/C20H26N2O/c1-3-21(4-2)15-9-10-16-22-17-11-5-7-13-19(17)23-20-14-8-6-12-18(20)22/h5-8,11-14H,3-4,9-10,15-16H2,1-2H3
InChiKey: WXBJYCLFEXXZJY-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,N-diethyl-4-phenoxazin-10-yl-butan-1-amine
N,N-diethyl-4-(10-phenoxazinyl)-1-butanamine
diethyl(4-phenoxazin-10-ylbutyl)amine
N,N-diethyl-4-(10-phenoxazinyl)butan-1-amine
diethyl-(4-phenoxazin-10-ylbutyl)amine

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
Brugia malayi	hypothetical protein	0.0033	0.0459	0.0694
Plasmodium falciparum	calcium-dependent protein kinase 5	0.0034	0.0484	0.0404
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0112	0.216	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0333	0.0535
Onchocerca volvulus		0.0016	0.0084	0.5
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0084	0.0077
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0035	0.0493	0.534
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0484	0.0813
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	0.0112	0.216	1
Echinococcus multilocularis	calcium dependent protein kinase	0.0032	0.0438	0.1707
Wolbachia endosymbiont of Brugia malayi	major facilitator superfamily permease	0.0016	0.0084	0.5
Entamoeba histolytica	protein kinase, putative	0.0034	0.0484	1
Plasmodium vivax	calcium-dependent protein kinase 1, putative	0.0034	0.0484	0.0404
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0034	0.0484	0.1927
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0034	0.0484	0.1927
Onchocerca volvulus		0.0016	0.0084	0.5
Brugia malayi	lysyl-tRNA synthetase	0.0025	0.0283	0.0369
Plasmodium vivax	calcium-dependent protein kinase, putative	0.0034	0.0484	0.0404
Brugia malayi	bifunctional aminoacyl-tRNA synthetase	0.0034	0.0469	0.0713
Echinococcus multilocularis	glutamyl tRNA synthetase cytoplasmic	0.0034	0.0469	0.1855
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0034	0.0484	0.1927
Onchocerca volvulus	Putative transporter	0.0016	0.0084	0.5
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0016	0.0084	0.0077
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type 1	0.0034	0.0484	0.1927
Toxoplasma gondii	lysine-tRNA ligase	0.0025	0.0283	0.0308
Plasmodium vivax	lysine--tRNA ligase, putative	0.0025	0.0283	0.0201
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0035	0.0493	0.534
Mycobacterium ulcerans	fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT	0.0016	0.0084	0.0153
Mycobacterium ulcerans	sugar transporter	0.0016	0.0084	0.0153
Plasmodium falciparum	calcium-dependent protein kinase 2	0.0034	0.0484	0.0404
Onchocerca volvulus		0.0016	0.0084	0.5
Trypanosoma cruzi	hexose transporter, putative	0.0019	0.0154	0.0911
Entamoeba histolytica	protein kinase, putative	0.0034	0.0484	1
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0112	0.216	1
Leishmania major	glucose transporter/membrane transporter D2, putative	0.0035	0.0493	0.534
Trichomonas vaginalis	glucose transporter, putative	0.0035	0.0493	0.0758
Leishmania major	protein kinase, putative	0.0034	0.0484	0.5217
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0695	0.1131
Onchocerca volvulus		0.0016	0.0084	0.5
Mycobacterium leprae	Probable prolyl tRNA synthetase ProS	0.0034	0.0469	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0084	0.0077
Plasmodium falciparum	lysine--tRNA ligase	0.0025	0.0283	0.0201
Leishmania major	glucose transporter, lmgt1	0.0035	0.0493	0.534
Schistosoma mansoni	lysyl-tRNA synthetase	0.0025	0.0283	0.0369
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0695	0.2943
Onchocerca volvulus		0.0016	0.0084	0.5
Loa Loa (eye worm)	calcium/calmodulin-dependent protein kinase ID	0.0034	0.0484	0.0813
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0044	0.0695	0.12
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0025	0.0283	0.0516
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0039	0.0589	0.6587
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0084	0.0077
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0016	0.0084	0.0077
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0084	0.0077
Plasmodium falciparum	calcium-dependent protein kinase 4	0.0034	0.0484	0.0404
Schistosoma mansoni	protein kinase	0.0034	0.0484	0.0741
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0034	0.0484	0.1927
Echinococcus granulosus	glutamyl tRNA synthetase cytoplasmic	0.0034	0.0469	0.1855
Toxoplasma gondii	cell-cycle-associated protein kinase MAPK, putative	0.0181	0.3649	0.5495
Leishmania major	hypothetical protein, conserved	0.0051	0.0851	1
Toxoplasma gondii	LsmAD domain-containing protein	0.0051	0.0851	0.1182
Brugia malayi	Calcium/calmodulin-dependent protein kinase type II alpha chain	0.0034	0.0484	0.0741
Mycobacterium ulcerans	integral membrane transport protein	0.0016	0.0084	0.0153
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0084	0.0077
Plasmodium vivax	hexose transporter	0.0112	0.216	0.2094
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0039	0.0589	0.6587
Trichomonas vaginalis	glucose transporter, putative	0.0035	0.0493	0.0758
Mycobacterium ulcerans	sugar-transport integral membrane protein SugI	0.0016	0.0084	0.0153
Trypanosoma brucei	glucose transporter, putative	0.0035	0.0493	0.534
Plasmodium vivax	mitogen-activated protein kinase 2, putative	0.0181	0.3649	0.3595
Plasmodium falciparum	hexose transporter	0.0112	0.216	0.2094
Onchocerca volvulus		0.0016	0.0084	0.5
Toxoplasma gondii	calcium-dependent protein kinase CDPK2A	0.0034	0.0484	0.0617
Plasmodium vivax	CDK-related protein kinase 6, putative	0.0477	1	1
Onchocerca volvulus		0.0016	0.0084	0.5
Onchocerca volvulus		0.0016	0.0084	0.5
Onchocerca volvulus		0.0016	0.0084	0.5
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0025	0.0283	0.0369
Echinococcus granulosus	calcium dependent protein kinase	0.0032	0.0438	0.1707
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0112	0.216	1
Trypanosoma cruzi	hexose transporter, putative	0.0035	0.0493	0.534
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0084	0.0077
Onchocerca volvulus		0.0016	0.0084	0.5
Plasmodium vivax	proline--tRNA ligase, putative	0.0039	0.0589	0.051
Toxoplasma gondii	calcium-dependent protein kinase CDPK2B	0.0034	0.0484	0.0617
Trypanosoma brucei	bifunctional aminoacyl-tRNA synthetase, putative	0.0039	0.0589	0.6587
Trichomonas vaginalis	sugar transporter, putative	0.0035	0.0493	0.0758
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0695	0.2943
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0469	0.0785
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0035	0.0493	0.534
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0039	0.0589	0.6587
Schistosoma mansoni	glucose transport protein	0.0112	0.216	0.3844
Schistosoma mansoni	glutaminase	0.0267	0.5486	1
Onchocerca volvulus		0.0016	0.0084	0.5
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0039	0.0589	0.6587
Trypanosoma cruzi	lysyl-tRNA synthetase, putative	0.0025	0.0283	0.2602
Toxoplasma gondii	prolyl-tRNA synthetase (ProRS)	0.0039	0.0589	0.0779
Trypanosoma brucei	calcium/calmodulin-dependent protein kinase, putative	0.0034	0.0484	0.5217
Schistosoma mansoni	hypothetical protein	0.0023	0.024	0.029
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.0021	0.0202	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0084	0.0077
Onchocerca volvulus		0.0016	0.0084	0.5
Trypanosoma brucei	glucose transporter, putative	0.0035	0.0493	0.534
Onchocerca volvulus		0.0016	0.0084	0.5
Schistosoma mansoni	lysyl-tRNA synthetase	0.0025	0.0283	0.0369
Mycobacterium ulcerans	glutaminase	0.0267	0.5486	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0044	0.0695	0.1131
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0112	0.216	1
Trichomonas vaginalis	CAMK family protein kinase	0.0034	0.0484	0.0741
Trypanosoma brucei	glucose transporter, putative	0.0035	0.0493	0.534
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0695	0.1131
Trypanosoma brucei	PAB1-binding protein , putative	0.0051	0.0851	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0695	0.2943
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0022	0.0217	0.0246
Brugia malayi	Bifunctional aminoacyl-tRNA synthetase	0.0034	0.0469	0.0713
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0112	0.216	1
Loa Loa (eye worm)	glutaminase	0.0267	0.5486	1
Schistosoma mansoni	glucose transport protein	0.0112	0.216	0.3844
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0084	0.0077
Trypanosoma cruzi	hexose transporter	0.0035	0.0493	0.534
Onchocerca volvulus		0.0016	0.0084	0.5
Plasmodium vivax	calcium-dependent protein kinase 4, putative	0.0034	0.0484	0.0404
Mycobacterium leprae	Possible lysyl-tRNA synthetase 2 LysX	0.0025	0.0283	0.3046
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0034	0.0469	0.0713
Echinococcus multilocularis	lysyl tRNA synthetase	0.0025	0.0283	0.0961
Trypanosoma cruzi	PAB1-binding protein , putative	0.0051	0.0851	1
Loa Loa (eye worm)	sugar transporter	0.0016	0.0084	0.0077
Giardia lamblia	Prolyl-tRNA synthetase	0.0034	0.0469	1
Echinococcus multilocularis	General substrate transporter	0.0096	0.1821	0.8364
Trichomonas vaginalis	conserved hypothetical protein	0.0035	0.0493	0.0758
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 2 LysX	0.0021	0.0202	1
Entamoeba histolytica	prolyl-tRNA synthetase, putative	0.0034	0.0469	0.9253
Trypanosoma brucei	glucose transporter, putative	0.0035	0.0493	0.534
Onchocerca volvulus		0.0016	0.0084	0.5
Schistosoma mansoni	glucose transport protein	0.0112	0.216	0.3844
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0469	0.0785
Plasmodium falciparum	calcium-dependent protein kinase 3	0.0034	0.0484	0.0404
Plasmodium vivax	ataxin-2 like protein, putative	0.0051	0.0851	0.0774
Schistosoma mansoni	serine/threonine protein kinase	0.0034	0.0484	0.0741
Plasmodium falciparum	ataxin-2 like protein, putative	0.0051	0.0851	0.0774
Leishmania major	glucose transporter, lmgt2	0.0035	0.0493	0.534
Trichomonas vaginalis	prolyl-tRNA synthetase, putative	0.0034	0.0469	0.0713
Toxoplasma gondii	calcium-dependent protein kinase CDPK3	0.0034	0.0484	0.0617
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0034	0.0484	0.1927
Trypanosoma cruzi	hexose transporter, putative	0.0035	0.0493	0.534
Trypanosoma brucei	glucose transporter 2A	0.0035	0.0493	0.534
Plasmodium falciparum	calcium-dependent protein kinase 1	0.0034	0.0484	0.0404
Echinococcus granulosus	General substrate transporter	0.0096	0.1821	0.8364
Schistosoma mansoni	protein kinase	0.0034	0.0484	0.0741
Plasmodium falciparum	mitogen-activated protein kinase 2	0.0181	0.3649	0.3595
Trypanosoma brucei	glucose transporter, putative	0.0035	0.0493	0.534
Trypanosoma cruzi	PAB1-binding protein , putative	0.0051	0.0851	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0084	0.0077
Schistosoma mansoni	hypothetical protein	0.0112	0.216	0.3844
Brugia malayi	glutaminase DH11.1	0.0267	0.5486	1
Brugia malayi	hypothetical protein	0.0051	0.0851	0.142
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0084	0.0077
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0084	0.0077
Giardia lamblia	Lysyl-tRNA synthetase	0.0025	0.0283	0.5182
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0112	0.216	1
Trichomonas vaginalis	glutaminase, putative	0.0267	0.5486	1
Toxoplasma gondii	protein kinase, putative	0.0317	0.6571	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0695	0.1131
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0084	0.0077
Plasmodium falciparum	proline--tRNA ligase	0.0039	0.0589	0.051
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0695	0.2943
Treponema pallidum	prolyl-tRNA synthetase	0.0012	0	0.5
Trypanosoma brucei	glucose transporter, putative	0.0035	0.0493	0.534
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0112	0.216	1
Loa Loa (eye worm)	glutaminase 2	0.0267	0.5486	1
Loa Loa (eye worm)	CAMK/CAMK2 protein kinase	0.0034	0.0484	0.0813
Trichomonas vaginalis	sugar transporter, putative	0.0035	0.0493	0.0758
Brugia malayi	Sugar transporter family protein	0.0112	0.216	0.3844
Plasmodium vivax	calcium-dependent protein kinase 3, putative	0.0034	0.0484	0.0404
Trypanosoma brucei	lysyl-tRNA synthetase, putative	0.0025	0.0283	0.2602
Trichomonas vaginalis	conserved hypothetical protein	0.0112	0.216	0.3844
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0283	0.0444
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0851	0.1487
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0034	0.0484	0.1927
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0034	0.0469	0.0713
Chlamydia trachomatis	lysine--tRNA ligase	0.0025	0.0283	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0084	0.0077
Trypanosoma cruzi	hexose transporter, putative	0.0035	0.0493	0.534
Schistosoma mansoni	protein kinase	0.0034	0.0484	0.0741
Trypanosoma brucei	glucose transporter 1E	0.0035	0.0493	0.534
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0084	0.0077
Toxoplasma gondii	facilitative glucose transporter GT1	0.0112	0.216	0.3201
Onchocerca volvulus		0.0016	0.0084	0.5
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0025	0.0283	0.0516
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0023	0.024	0.0754
Trypanosoma brucei	glucose transporter, putative	0.0035	0.0493	0.534
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0034	0.0484	0.1927
Trypanosoma brucei	glucose transporter, putative	0.0035	0.0493	0.534
Plasmodium falciparum	protein kinase 7	0.0317	0.6571	0.6542
Trichomonas vaginalis	sugar transporter, putative	0.0035	0.0493	0.0758
Trichomonas vaginalis	conserved hypothetical protein	0.0035	0.0493	0.0758
Loa Loa (eye worm)	sugar transporter	0.0112	0.216	0.3892
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0023	0.024	0.0754
Leishmania major	lysyl-tRNA synthetase, putative	0.0025	0.0283	0.2602
Brugia malayi	Cam kinase protein 1	0.0034	0.0484	0.0741
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0084	0.0077
Leishmania major	glucose transporter, lmgt3	0.0035	0.0493	0.534
Echinococcus granulosus	lysyl tRNA synthetase	0.0025	0.0283	0.0961
Plasmodium falciparum	ataxin-2 like protein, putative	0.0051	0.0851	0.0774

Activities

Activity type	Activity value	Assay description	Source	Reference
Control (functional)	= 211 %	Increase in the accumulation of vincristine in multi-drug resistant KB8-5 (HeLa variant) cell line in vitro.	ChEMBL.	1527786
Control (functional)	= 211 %	Increase in the accumulation of vincristine in multi-drug resistant KB8-5 (HeLa variant) cell line in vitro.	ChEMBL.	1527786
Control (functional)	= 325 %	Increase in the accumulation of vincristine in multi-drug resistant GC3/Cl (human adenocarcinoma) cell line in vitro.	ChEMBL.	1527786
Control (functional)	= 697 %	Increase in the accumulation of vinblastine in multi-drug resistant KB8-5 (HeLa variant) cell line in vitro.	ChEMBL.	1527786
Control (functional)	= 697 %	Increase in the accumulation of vinblastine in multi-drug resistant KB8-5 (HeLa variant) cell line in vitro.	ChEMBL.	1527786
Control (functional)	= 737 %	Increase in the accumulation of vinblastine in multi-drug resistant GC3/Cl (human adenocarcinoma) cell line in vitro.	ChEMBL.	1527786

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

PubChem: 10335584

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 187870