TDR Targets

Basic information

Technical information

TDR Targets ID: 2111579
Name: N,N-dimethyl-3-phenylbutan-1-amine
MW: 177.152 | Formula: C12H19N
H donors: 0 H acceptors: 0 LogP: 2.91 Rotable bonds: 4
Rule of 5 violations (Lipinski): 0
SMILES: CC(c1ccccc1)CCN(C)C
InChi: InChI=1S/C12H19N/c1-11(9-10-13(2)3)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3
InChiKey: GAICVPVDFBPSME-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-dimethyl-3-phenyl-butan-1-amine
dimethyl-(3-phenylbutyl)amine

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Cavia porcellus	Sigma-1 receptor		References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania mexicana	C-8 sterol isomerase-like protein	Get druggable targets OG5_131051	All targets in OG5_131051
Trypanosoma congolense	C-8 sterol isomerase, putative	Get druggable targets OG5_131051	All targets in OG5_131051
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131051	All targets in OG5_131051
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131051	All targets in OG5_131051
Leishmania braziliensis	C-8 sterol isomerase-like protein	Get druggable targets OG5_131051	All targets in OG5_131051
Trypanosoma cruzi	C-8 sterol isomerase, putative	Get druggable targets OG5_131051	All targets in OG5_131051
Candida albicans	sterol C8-C7 isomerase	Get druggable targets OG5_131051	All targets in OG5_131051
Brugia malayi	ERG2 and Sigma1 receptor like protein	Get druggable targets OG5_131051	All targets in OG5_131051
Trypanosoma congolense	C-8 sterol isomerase, putative	Get druggable targets OG5_131051	All targets in OG5_131051
Trypanosoma brucei	C-8 sterol isomerase, putative	Get druggable targets OG5_131051	All targets in OG5_131051
Candida albicans	sterol C8-C7 isomerase	Get druggable targets OG5_131051	All targets in OG5_131051
Leishmania infantum	C-8 sterol isomerase-like protein	Get druggable targets OG5_131051	All targets in OG5_131051
Trypanosoma brucei gambiense	C-8 sterol isomerase, putative	Get druggable targets OG5_131051	All targets in OG5_131051
Leishmania donovani	C-8 sterol isomerase-like protein	Get druggable targets OG5_131051	All targets in OG5_131051
Leishmania major	C-8 sterol isomerase-like protein	Get druggable targets OG5_131051	All targets in OG5_131051

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
Echinococcus multilocularis	sterol regulatory element binding protein	0.0043	0.0116	0.008
Schistosoma mansoni	family C48 unassigned peptidase (C48 family)	0.0177	0.1781	0.2126
Echinococcus granulosus	Niemann Pick C1 protein	0.01	0.0829	0.0795
Entamoeba histolytica	Ulp1 protease family, C-terminal catalytic domain containing protein	0.0039	0.0071	0.0399
Toxoplasma gondii	pantoate-beta-alanine ligase	0.0494	0.5738	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0035	0.0012	0.0024
Echinococcus multilocularis	protein dispatched 1	0.0049	0.0192	0.0156
Trichomonas vaginalis	glucosylceramidase, putative	0.0263	0.2856	1
Echinococcus granulosus	sentrin specific protease 7	0.0177	0.1781	0.1751
Schistosoma mansoni	transcription factor LCR-F1	0.0037	0.0036	0.0029
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0116	0.0227
Entamoeba histolytica	Ulp1 protease family, C-terminal catalytic domain containing protein	0.0039	0.0071	0.0399
Loa Loa (eye worm)	Ulp1 protease	0.0094	0.075	0.1464
Schistosoma mansoni	family C48 unassigned peptidase (C48 family)	0.0039	0.0071	0.007
Echinococcus granulosus	sentrin specific protease 8	0.0094	0.075	0.0716
Echinococcus granulosus	microtubule associated protein 2	0.0702	0.8332	0.8326
Schistosoma mansoni	hypothetical protein	0.0041	0.0097	0.0101
Trichomonas vaginalis	glucosylceramidase, putative	0.0182	0.1845	0.6371
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0051	0.0212	0.0415
Echinococcus granulosus	expressed conserved protein	0.0137	0.129	0.1258
Brugia malayi	Ulp1 protease family, C-terminal catalytic domain containing protein	0.0094	0.075	0.1464
Echinococcus granulosus	sentrin specific protease 1	0.0039	0.0071	0.0035
Plasmodium falciparum	sentrin-specific protease 1	0.0039	0.0071	0.5
Echinococcus granulosus	Protein patched homolog 1	0.0043	0.0116	0.008
Giardia lamblia	Sentrin specific protease, putative	0.0039	0.0071	0.5
Entamoeba histolytica	hypothetical protein	0.0037	0.0036	0.0205
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0126	0.1146	0.1118
Trichomonas vaginalis	glucosylceramidase, putative	0.0172	0.1729	0.5955
Brugia malayi	CHE-14 protein	0.0043	0.0116	0.0227
Echinococcus multilocularis	protein patched	0.0043	0.0116	0.008
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0071	0.0139
Echinococcus multilocularis	microtubule associated protein 2	0.0702	0.8332	0.8356
Trichomonas vaginalis	glucosylceramidase, putative	0.0172	0.1729	0.5955
Trichomonas vaginalis	Clan CE, family C48, Ulp1-like cysteine peptidase	0.0094	0.075	0.2437
Trichomonas vaginalis	glucosylceramidase, putative	0.0172	0.1729	0.5955
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0237	0.0462
Echinococcus multilocularis	sentrin specific protease 7	0.0177	0.1781	0.1757
Trypanosoma cruzi	C-8 sterol isomerase, putative	0.0445	0.5121	1
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0825	0.9865	0.99
Entamoeba histolytica	Ulp1 protease family, C-terminal catalytic domain containing protein	0.0039	0.0071	0.0399
Schistosoma mansoni	family C48 unassigned peptidase (C48 family)	0.0039	0.0071	0.007
Mycobacterium ulcerans	bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase	0.0775	0.9237	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0172	0.1729	0.5955
Entamoeba histolytica	Ulp1 protease family, C-terminal catalytic domain containing protein	0.0094	0.075	0.4209
Trichomonas vaginalis	glucosylceramidase, putative	0.0182	0.1845	0.6371
Echinococcus granulosus	caspase	0.0101	0.0839	0.0806
Echinococcus granulosus	caspase 3 apoptosis cysteine peptidase	0.0101	0.0839	0.0806
Brugia malayi	Ulp1 protease family, C-terminal catalytic domain containing protein	0.0039	0.0071	0.0139
Trichomonas vaginalis	glucosylceramidase, putative	0.0263	0.2856	1
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0126	0.1146	0.1114
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0051	0.0212	0.0415
Trichomonas vaginalis	Sentrin-specific protease, putative	0.0094	0.075	0.2437
Trichomonas vaginalis	conserved hypothetical protein	0.0043	0.0116	0.0162
Chlamydia trachomatis	deubiquitinase/deneddylase Dub2	0.0039	0.0071	0.5
Echinococcus multilocularis	sentrin specific protease 1	0.0039	0.0071	0.0035
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.01	0.0829	0.4654
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0051	0.0212	0.0415
Echinococcus multilocularis	caspase 3, apoptosis cysteine peptidase	0.0101	0.0839	0.0809
Schistosoma mansoni	family C48 unassigned peptidase (C48 family)	0.0094	0.075	0.0886
Leishmania major	C-8 sterol isomerase-like protein	0.0445	0.5121	1
Loa Loa (eye worm)	hypothetical protein	0.01	0.0829	0.1618
Trichomonas vaginalis	glucosylceramidase, putative	0.0172	0.1729	0.5955
Leishmania major	SUMO1/Ulp2, putative,cysteine peptidase, Clan CA, family C48, putative	0.0039	0.0071	0.0139
Echinococcus granulosus	sterol regulatory element binding protein	0.0043	0.0116	0.008
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0212	0.0415
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0263	0.2856	0.5576
Brugia malayi	hypothetical protein	0.0037	0.0036	0.0071
Echinococcus multilocularis	conserved hypothetical protein	0.0833	0.9964	1
Trypanosoma cruzi	hypothetical protein	0.0094	0.075	0.1344
Entamoeba histolytica	hypothetical protein	0.0037	0.0036	0.0205
Plasmodium vivax	sentrin-specific protease 2, putative	0.0039	0.0071	0.5
Brugia malayi	Niemann-Pick C1 protein precursor	0.01	0.0829	0.1618
Schistosoma mansoni	microtubule-associated protein tau	0.0702	0.8332	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0172	0.1729	0.5955
Trichomonas vaginalis	glucosylceramidase, putative	0.0172	0.1729	0.5955
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0071	0.0139
Echinococcus multilocularis	sentrin specific protease 8	0.0094	0.075	0.0718
Brugia malayi	Ulp1 protease family, C-terminal catalytic domain containing protein	0.0039	0.0071	0.0139
Echinococcus multilocularis	caspase	0.0101	0.0839	0.0809
Trichomonas vaginalis	Clan CE, family C48, Ulp1-like cysteine peptidase	0.0094	0.075	0.2437
Echinococcus multilocularis	expressed conserved protein	0.0137	0.129	0.1263
Entamoeba histolytica	Ulp1 protease family, C-terminal catalytic domain containing protein	0.0177	0.1781	1
Trypanosoma brucei	C-8 sterol isomerase, putative	0.0445	0.5121	1
Chlamydia trachomatis	deubiquitinase/deneddylase Dub1	0.0039	0.0071	0.5
Echinococcus granulosus	caspase 3	0.0074	0.0503	0.0468
Brugia malayi	Ulp1 protease family, C-terminal catalytic domain containing protein	0.0039	0.0071	0.0139
Schistosoma mansoni	lipoxygenase	0.0126	0.1146	0.1363
Loa Loa (eye worm)	Ulp1 protease	0.0039	0.0071	0.0139
Entamoeba histolytica	hypothetical protein	0.0037	0.0036	0.0205
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0102	0.0848	0.1005
Brugia malayi	ERG2 and Sigma1 receptor like protein	0.0445	0.5121	1
Schistosoma mansoni	caspase-7 (C14 family)	0.0101	0.0839	0.0994
Echinococcus granulosus	Niemann Pick C1 protein	0.0143	0.1365	0.1333
Schistosoma mansoni	hypothetical protein	0.0041	0.0097	0.0101
Mycobacterium tuberculosis	Pantoate--beta-alanine ligase PanC (pantothenate synthetase) (pantoate activating enzyme)	0.0494	0.5738	0.6212
Schistosoma mansoni	caspase-3 (C14 family)	0.0101	0.0839	0.0994
Echinococcus multilocularis	expressed conserved protein	0.0094	0.0753	0.0722
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0012	0.0024
Trichomonas vaginalis	glucosylceramidase, putative	0.0263	0.2856	1
Mycobacterium tuberculosis	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	0.0775	0.9237	1
Loa Loa (eye worm)	hypothetical protein	0.0227	0.2412	0.471
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0263	0.2856	0.5576
Mycobacterium leprae	Probable pantoate--beta-alanine ligase PanC (pantothenate synthetase) (pantoate activating enzyme)	0.0494	0.5738	1
Entamoeba histolytica	hypothetical protein	0.0037	0.0036	0.0205
Onchocerca volvulus		0.0039	0.0071	0.0411
Schistosoma mansoni	hypothetical protein	0.0037	0.0036	0.0029
Loa Loa (eye worm)	hypothetical protein	0.0445	0.5121	1
Echinococcus multilocularis	Niemann Pick C1 protein	0.01	0.0829	0.0798
Mycobacterium ulcerans	pantoate--beta-alanine ligase	0.0494	0.5738	0.6212
Schistosoma mansoni	lipoxygenase	0.0088	0.0675	0.0796
Echinococcus multilocularis	Niemann Pick C1 protein	0.0143	0.1365	0.1338
Schistosoma mansoni	hypothetical protein	0.0041	0.0097	0.0101
Echinococcus granulosus	expressed conserved protein	0.0094	0.0753	0.0719
Plasmodium vivax	sentrin-specific protease 1, putative	0.0039	0.0071	0.5
Echinococcus multilocularis	caspase 3	0.0074	0.0503	0.0469
Entamoeba histolytica	Ulp1 protease family, C-terminal catalytic domain containing protein	0.0039	0.0071	0.0399
Trichomonas vaginalis	glucosylceramidase, putative	0.0263	0.2856	1
Schistosoma mansoni	patched 1	0.0043	0.0116	0.0125
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0071	0.0139
Onchocerca volvulus	Glucosylceramidase homolog	0.0172	0.1729	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0263	0.2856	1
Trichomonas vaginalis	Clan CE, family C48, Ulp1-like cysteine peptidase	0.0094	0.075	0.2437
Schistosoma mansoni	hypothetical protein	0.0041	0.0097	0.0101
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0043	0.0116	0.0227
Trichomonas vaginalis	glucosylceramidase, putative	0.0263	0.2856	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 427 nM	Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig cerebral cortex membranes after 120 mins by scintillation counting analysis	LITERATURE.	27838169

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: CHEMBL3971471

Bibliographic References

No literature references available for this target.

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Detailed information for compound 2111579