TDR Targets

Basic information

Technical information

TDR Targets ID: 933150
Name: 2-(dimethylaminomethyl)-1-phenylbutan-1-one h ydrochloride
MW: 241.757 | Formula: C13H20ClNO
H donors: 0 H acceptors: 1 LogP: 3.31 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CCC(C(=O)c1ccccc1)CN(C)C.Cl
InChi: 1S/C13H19NO.ClH/c1-4-11(10-14(2)3)13(15)12-8-6-5-7-9-12;/h5-9,11H,4,10H2,1-3H3;1H
InChiKey: WRZZYXWJLJCBHE-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-(dimethylaminomethyl)-1-phenyl-butan-1-one hydrochloride

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
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0053	0.1453	0.1483
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0053	0.1453	0.1483
Loa Loa (eye worm)	hypothetical protein	0.0151	0.9794	0.9794
Echinococcus multilocularis	mitogen activated protein kinase 14	0.0145	0.9293	0.9489
Loa Loa (eye worm)	CMGC/MAPK/P38 protein kinase	0.0145	0.9293	0.9293
Loa Loa (eye worm)	hypothetical protein	0.0057	0.1843	0.1843
Schistosoma mansoni	hypothetical protein	0.0057	0.1843	0.0856
Onchocerca volvulus	Neurogenic locus notch homolog	0.0057	0.1843	0.0856
Echinococcus multilocularis	Peptidase S1 S6, chymotrypsin Hap	0.0049	0.1098	0.1122
Loa Loa (eye worm)	hypothetical protein	0.0057	0.1843	0.1843
Brugia malayi	notch-like transmembrane receptor	0.0057	0.1843	0.1195
Loa Loa (eye worm)	hypothetical protein	0.0057	0.1843	0.1843
Loa Loa (eye worm)	hypothetical protein	0.0057	0.1843	0.1843
Schistosoma mansoni	tyrosine kinase	0.0053	0.1453	0.0407
Brugia malayi	Calcium binding EGF domain containing protein	0.0057	0.1843	0.1195
Loa Loa (eye worm)	hypothetical protein	0.0057	0.1843	0.1843
Echinococcus multilocularis	mitogen activated protein kinase 11	0.0145	0.9293	0.9489
Echinococcus granulosus	neurogenic locus notch protein 4	0.0057	0.1843	0.1881
Loa Loa (eye worm)	hypothetical protein	0.015	0.9781	0.9781
Brugia malayi	EGF-like domain containing protein	0.0057	0.1843	0.1195
Onchocerca volvulus		0.0151	0.9794	1
Loa Loa (eye worm)	hypothetical protein	0.0057	0.1843	0.1843
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0053	0.1453	0.1483
Echinococcus granulosus	neurogenic locus notch protein	0.0057	0.1843	0.1881
Onchocerca volvulus		0.0057	0.1843	0.0856
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0053	0.1453	0.1483
Brugia malayi	Fibulin-1 precursor	0.015	0.9781	0.9764
Echinococcus multilocularis	Tolloid protein 1	0.015	0.9781	0.9988
Echinococcus granulosus	enteropeptidase	0.0049	0.1098	0.1122
Brugia malayi	Cadherin domain containing protein	0.0057	0.1843	0.1195
Loa Loa (eye worm)	hypothetical protein	0.0049	0.1098	0.1098
Loa Loa (eye worm)	hypothetical protein	0.0057	0.1843	0.1843
Echinococcus multilocularis	protein jagged 2	0.0057	0.1843	0.1881
Schistosoma mansoni	hypothetical protein	0.0057	0.1843	0.0856
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.0057	0.1843	0.1195
Loa Loa (eye worm)	hypothetical protein	0.0057	0.1843	0.1843
Brugia malayi	Low-density lipoprotein receptor repeat class B containing protein	0.015	0.9781	0.9764
Echinococcus granulosus	fibropellin Ia	0.0057	0.1843	0.1881
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0054	0.1543	0.1575
Brugia malayi	EGF-like domain containing protein	0.0057	0.1843	0.1195
Schistosoma mansoni	notch	0.0057	0.1843	0.0856
Echinococcus multilocularis	Mastin	0.0049	0.1098	0.1122
Onchocerca volvulus	Neurogenic locus notch protein homolog	0.0057	0.1843	0.0856
Loa Loa (eye worm)	hypothetical protein	0.0049	0.1098	0.1098
Loa Loa (eye worm)	hypothetical protein	0.0049	0.1098	0.1098
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0053	0.1453	0.1483
Entamoeba histolytica	protein kinase, putative	0.0036	0	0.5
Echinococcus granulosus	tyrosine kinase	0.0044	0.0735	0.0751
Loa Loa (eye worm)	notch protein	0.0057	0.1843	0.1843
Toxoplasma gondii	calcium binding egf domain-containing protein	0.015	0.9781	0.9985
Mycobacterium ulcerans	hypothetical protein	0.0049	0.1098	0.5
Loa Loa (eye worm)	hypothetical protein	0.0057	0.1843	0.1843
Leishmania major	hypothetical protein, conserved	0.0151	0.9794	1
Echinococcus multilocularis	enteropeptidase	0.0049	0.1098	0.1122
Schistosoma mansoni	laminin gamma-3 chain	0.0057	0.1843	0.0856
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0042	0.0529	0.054
Loa Loa (eye worm)	low-density lipoprotein receptor repeat class B containing protein	0.015	0.9781	0.9781
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0053	0.1453	0.1483
Echinococcus multilocularis	neural cadherin	0.0057	0.1843	0.1881
Schistosoma mansoni	hypothetical protein	0.0057	0.1843	0.0856
Echinococcus granulosus	tissue type plasminogen activator	0.0151	0.9794	1
Echinococcus granulosus	neural cadherin	0.0057	0.1843	0.1881
Echinococcus granulosus	protein jagged 1	0.0057	0.1843	0.1881
Loa Loa (eye worm)	hypothetical protein	0.0057	0.1843	0.1843
Loa Loa (eye worm)	trypsin family protein	0.0049	0.1098	0.1098
Schistosoma mansoni	subfamily M12A unassigned peptidase (M12 family)	0.015	0.9781	0.9986
Brugia malayi	Cadherin domain containing protein	0.0057	0.1843	0.1195
Loa Loa (eye worm)	hypothetical protein	0.0057	0.1843	0.1843
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0053	0.1453	0.1483
Echinococcus multilocularis	fibropellin Ia	0.0057	0.1843	0.1881
Brugia malayi	EGF-like domain containing protein	0.0057	0.1843	0.1195
Echinococcus multilocularis	neurogenic locus notch protein	0.0057	0.1843	0.1881
Brugia malayi	Chymotrypsin-like protease CTRL-1 precursor	0.0049	0.1098	0.0392
Echinococcus multilocularis	protein jagged 1	0.0057	0.1843	0.1881
Onchocerca volvulus		0.0057	0.1843	0.0856
Loa Loa (eye worm)	hypothetical protein	0.0057	0.1843	0.1843
Brugia malayi	Trypsin family protein	0.0049	0.1098	0.0392
Schistosoma mansoni	hypothetical protein	0.0057	0.1843	0.0856
Plasmodium falciparum	cysteine repeat modular protein 1	0.0151	0.9794	0.5
Echinococcus granulosus	neurogenic locus notch protein	0.0057	0.1843	0.1881
Schistosoma mansoni	hypothetical protein	0.0151	0.9794	1
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0044	0.0735	0.0751
Brugia malayi	hypothetical protein	0.0049	0.1098	0.0392
Schistosoma mansoni	hypothetical protein	0.0057	0.1843	0.0856
Loa Loa (eye worm)	hypothetical protein	0.0049	0.1098	0.1098
Trypanosoma cruzi	hypothetical protein, conserved	0.0151	0.9794	1
Loa Loa (eye worm)	hypothetical protein	0.0057	0.1843	0.1843
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0053	0.1453	0.1483
Loa Loa (eye worm)	hypothetical protein	0.015	0.9781	0.9781
Echinococcus granulosus	mitogen activated protein kinase 11	0.0145	0.9293	0.9489
Onchocerca volvulus	Slit protein homolog	0.0057	0.1843	0.0856
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0053	0.1453	0.1483
Schistosoma mansoni	notch	0.0057	0.1843	0.0856
Brugia malayi	Kringle domain containing protein	0.0151	0.9794	0.9777
Loa Loa (eye worm)	hypothetical protein	0.0049	0.1098	0.1098
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0053	0.1453	0.1483
Brugia malayi	Muscle positioning protein 4	0.0057	0.1843	0.1195
Loa Loa (eye worm)	hypothetical protein	0.0057	0.1843	0.1843
Echinococcus multilocularis	fat cadherin tumor suppressor	0.0057	0.1843	0.1881
Echinococcus granulosus	Tolloid protein 1	0.015	0.9781	0.9988
Loa Loa (eye worm)	hypothetical protein	0.0057	0.1843	0.1843
Schistosoma mansoni	notch	0.0057	0.1843	0.0856
Loa Loa (eye worm)	hypothetical protein	0.015	0.9781	0.9781
Loa Loa (eye worm)	hypothetical protein	0.015	0.9781	0.9781
Loa Loa (eye worm)	hypothetical protein	0.0057	0.1843	0.1843
Echinococcus granulosus	protein jagged 2	0.0057	0.1843	0.1881
Brugia malayi	Calcium binding EGF domain containing protein	0.0057	0.1843	0.1195
Brugia malayi	GCC2 and GCC3 family protein	0.0057	0.1843	0.1195
Echinococcus multilocularis	transmembrane protease serine 3	0.0049	0.1098	0.1122
Loa Loa (eye worm)	Notch2	0.0057	0.1843	0.1843
Brugia malayi	Calcium binding EGF domain containing protein	0.0057	0.1843	0.1195
Echinococcus multilocularis	mitogen activated protein kinase 14	0.0145	0.9293	0.9489
Echinococcus granulosus	Peptidase S1 S6 chymotrypsin Hap	0.0049	0.1098	0.1122
Onchocerca volvulus		0.0057	0.1843	0.0856
Echinococcus multilocularis	fibrillin 1	0.015	0.9781	0.9988
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0044	0.0735	0.0751
Schistosoma mansoni	septate junction protein	0.0057	0.1843	0.0856
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0042	0.0529	0.054
Echinococcus multilocularis	subfamily S1A unassigned peptidase (S01 family)	0.0049	0.1098	0.1122
Brugia malayi	Trypsin family protein	0.0049	0.1098	0.0392
Loa Loa (eye worm)	TK protein kinase	0.0044	0.0735	0.0735
Schistosoma mansoni	notch	0.0057	0.1843	0.0856
Echinococcus multilocularis	glycoprotein Antigen 5	0.0049	0.1098	0.1122
Schistosoma mansoni	slit	0.0057	0.1843	0.0856
Onchocerca volvulus	Putative cubilin	0.0057	0.1843	0.0856
Onchocerca volvulus		0.0057	0.1843	0.0856
Schistosoma mansoni	notch	0.0057	0.1843	0.0856
Schistosoma mansoni	tyrosine kinase	0.0053	0.1453	0.0407
Echinococcus granulosus	notch	0.0057	0.1843	0.1881
Schistosoma mansoni	hypothetical protein	0.0057	0.1843	0.0856
Echinococcus multilocularis	neurogenic locus protein delta	0.0057	0.1843	0.1881
Echinococcus multilocularis	slit 2 protein	0.0057	0.1843	0.1881
Echinococcus multilocularis	protein jagged 1	0.0057	0.1843	0.1881
Loa Loa (eye worm)	hypothetical protein	0.0057	0.1843	0.1843
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0044	0.0735	0.0751
Brugia malayi	P38 map kinase family protein 2	0.0145	0.9293	0.9237
Trypanosoma brucei	mitogen-activated protein kinase 3, putative	0.0145	0.9293	0.5
Loa Loa (eye worm)	hypothetical protein	0.0057	0.1843	0.1843
Echinococcus granulosus	neurogenic locus protein delta	0.0057	0.1843	0.1881
Onchocerca volvulus	Arrow homolog	0.015	0.9781	0.9986
Echinococcus granulosus	subfamily S1A unassigned peptidase S01 family	0.0049	0.1098	0.1122
Loa Loa (eye worm)	multiple epidermal growth factor-like domains 6	0.015	0.9781	0.9781
Schistosoma mansoni	Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)]	0.0057	0.1843	0.0856
Echinococcus granulosus	protein jagged 1	0.0057	0.1843	0.1881
Echinococcus multilocularis	neurogenic locus notch protein	0.0057	0.1843	0.1881
Echinococcus multilocularis	laminin	0.015	0.9781	0.9988
Schistosoma mansoni	notch	0.0057	0.1843	0.0856
Loa Loa (eye worm)	hypothetical protein	0.0057	0.1843	0.1843
Brugia malayi	EGF-like domain containing protein	0.0057	0.1843	0.1195
Giardia lamblia	High cysteine protein	0.0057	0.1843	0.5
Echinococcus multilocularis	neurogenic locus notch protein 4	0.0057	0.1843	0.1881
Brugia malayi	Trypsin-like protease protein 5	0.0049	0.1098	0.0392
Echinococcus granulosus	mitogen activated protein kinase 14	0.0145	0.9293	0.9489
Brugia malayi	Trypsin family protein	0.0049	0.1098	0.0392
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0053	0.1453	0.1483
Loa Loa (eye worm)	bone morphogenetic protein 1b	0.015	0.9781	0.9781
Echinococcus granulosus	delta-like protein 1	0.0057	0.1843	0.1881
Loa Loa (eye worm)	hypothetical protein	0.0049	0.1098	0.1098
Onchocerca volvulus		0.0057	0.1843	0.0856
Echinococcus granulosus	transmembrane protease serine 3	0.0049	0.1098	0.1122
Loa Loa (eye worm)	hypothetical protein	0.0057	0.1843	0.1843
Brugia malayi	EGF-like domain containing protein	0.0057	0.1843	0.1195
Echinococcus granulosus	protein jagged 2	0.0057	0.1843	0.1881
Schistosoma mansoni	egf-like domain protein	0.015	0.9781	0.9986
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0044	0.0735	0.0751
Loa Loa (eye worm)	SRC-1	0.0053	0.1453	0.1453
Loa Loa (eye worm)	hypothetical protein	0.0057	0.1843	0.1843
Brugia malayi	SRC-1	0.0053	0.1453	0.0774
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0053	0.1453	0.1483
Echinococcus multilocularis	tissue type plasminogen activator	0.0151	0.9794	1
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0053	0.1453	0.1483
Brugia malayi	EGF-like domain containing protein	0.0057	0.1843	0.1195
Toxoplasma gondii	kringle domain-containing protein	0.0151	0.9794	1
Brugia malayi	Trypsin family protein	0.0049	0.1098	0.0392
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0053	0.1453	0.1483
Toxoplasma gondii	calcium binding egf domain-containing protein	0.015	0.9781	0.9985
Brugia malayi	EGF-like domain containing protein	0.0057	0.1843	0.1195
Loa Loa (eye worm)	hypothetical protein	0.0049	0.1098	0.1098
Schistosoma mansoni	hypothetical protein	0.0057	0.1843	0.0856
Schistosoma mansoni	cell polarity protein	0.0057	0.1843	0.0856
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0053	0.1453	0.1483
Echinococcus granulosus	laminin	0.015	0.9781	0.9988
Loa Loa (eye worm)	hypothetical protein	0.0057	0.1843	0.1843
Brugia malayi	Delta serrate ligand family protein	0.0057	0.1843	0.1195
Echinococcus multilocularis	mitogen activated protein kinase 11	0.0145	0.9293	0.9489
Echinococcus granulosus	Mastin	0.0049	0.1098	0.1122
Echinococcus granulosus	glycoprotein Antigen 5	0.0049	0.1098	0.1122
Echinococcus granulosus	slit 2 protein	0.0057	0.1843	0.1881
Loa Loa (eye worm)	hypothetical protein	0.015	0.9781	0.9781
Plasmodium vivax	cysteine repeat modular protein 1, putative	0.0151	0.9794	0.5
Brugia malayi	Calcium binding EGF domain containing protein	0.015	0.9781	0.9764
Echinococcus multilocularis	notch	0.0057	0.1843	0.1881
Echinococcus multilocularis	neurogenic locus protein delta	0.0057	0.1843	0.1881
Echinococcus granulosus	tyrosine protein kinase Blk	0.0044	0.0735	0.0751
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0053	0.1453	0.1483
Loa Loa (eye worm)	TK/ROR protein kinase	0.0153	1	1

Activities

Activity type	Assay description	Source	Reference
IC50 (binding)	Inhibition of N-terminal poly-His-tagged Staphylococcus aureus COL MetAP expressed in Escherichia coli BL21(DE3) incubated for 30 mins before MGMM substrate addition by fluorescence assay	ChEMBL.	25293447
IC50 (binding)	Inhibition of N-terminal poly-His-tagged human MetAP-1 expressed in Escherichia coli BL21(DE3) incubated for 30 mins before MGMM substrate addition by fluorescence assay	ChEMBL.	25293447
IC50 (binding)	Inhibition of human MetAP-2 expressed in Sf9 cells incubated for 60 mins before MGMM substrate addition by fluorescence assay	ChEMBL.	25293447
IC50 (binding)	Inhibition of C-terminal poly-His-tagged Escherichia coli MetAP expressed in Escherichia coli BL21(DE3) incubated for 30 mins before MGMM substrate addition by fluorescence assay	ChEMBL.	25293447

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: CHEMBL3337637

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 933150