TDR Targets

Basic information

Technical information

TDR Targets ID: 286762
Name: 2-N-[2-bromo-4-(dimethylamino)phenyl]-2-N,4-N ,4-N-triethyl-6-methylpyrimidine-2,4-diamine
MW: 406.363 | Formula: C19H28BrN5
H donors: 0 H acceptors: 2 LogP: 4.99 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CCN(c1ccc(cc1Br)N(C)C)c1nc(C)cc(n1)N(CC)CC
InChi: 1S/C19H28BrN5/c1-7-24(8-2)18-12-14(4)21-19(22-18)25(9-3)17-11-10-15(23(5)6)13-16(17)20/h10-13H,7-9H2,1-6H3
InChiKey: SFNYBMGYUGVFMX-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

N2-[2-bromo-4-(dimethylamino)phenyl]-N2,N4,N4-triethyl-6-methyl-pyrimidine-2,4-diamine
N2-[2-bromo-4-(dimethylamino)phenyl]-N2,N4,N4-triethyl-6-methylpyrimidine-2,4-diamine
[3-bromo-4-[[4-(diethylamino)-6-methyl-pyrimidin-2-yl]-ethyl-amino]phenyl]-dimethyl-amine
N-(2-bromo-4-dimethylaminophenyl)-N,N',N'-triethyl-6-methylpyrimidine-2,4-diamine
N-(2-bromo-4-dimethylamino-phenyl)-N,N',N'-triethyl-6-methyl-pyrimidine-2,4-diamine
[2-[(2-bromo-4-dimethylamino-phenyl)-ethyl-amino]-6-methyl-pyrimidin-4-yl]-diethyl-amine

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	corticotropin releasing hormone receptor 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	IPR001879,Hormone receptor, extracellular,domain-containing	Get druggable targets OG5_130760	All targets in OG5_130760
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	Get druggable targets OG5_130760	All targets in OG5_130760
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	Get druggable targets OG5_130760	All targets in OG5_130760
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	Get druggable targets OG5_130760	All targets in OG5_130760
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_130760	All targets in OG5_130760

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	pigment dispersing factor receptor c	corticotropin releasing hormone receptor 1	444 aa	445 aa	25.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	notch	0.0069	0.2195	0.2565
Echinococcus multilocularis	lamin	0.0027	0.0347	0.0406
Brugia malayi	EGF-like domain containing protein	0.0069	0.2195	0.2195
Echinococcus granulosus	protein jagged 1	0.0069	0.2195	0.2565
Echinococcus granulosus	notch	0.0069	0.2195	0.2565
Echinococcus granulosus	fibropellin Ia	0.0069	0.2195	0.2565
Echinococcus granulosus	protein jagged 1	0.0069	0.2195	0.2565
Echinococcus multilocularis	neurogenic locus notch protein	0.0069	0.2195	0.2565
Onchocerca volvulus		0.0069	0.2195	0.2251
Onchocerca volvulus	Neurogenic locus notch homolog	0.0069	0.2195	0.2251
Loa Loa (eye worm)	hypothetical protein	0.0069	0.2195	0.2195
Echinococcus multilocularis	neurogenic locus notch protein	0.0069	0.2195	0.2565
Brugia malayi	hypothetical protein	0.0213	0.8558	0.8558
Schistosoma mansoni	hypothetical protein	0.0069	0.2195	0.2565
Brugia malayi	EGF-like domain containing protein	0.0069	0.2195	0.2195
Loa Loa (eye worm)	hypothetical protein	0.0213	0.8558	0.8558
Echinococcus granulosus	neurogenic locus protein delta	0.0069	0.2195	0.2565
Brugia malayi	Delta serrate ligand family protein	0.0069	0.2195	0.2195
Echinococcus multilocularis	mitogen activated protein kinase 11	0.0126	0.4709	0.5502
Schistosoma mansoni	hypothetical protein	0.0069	0.2195	0.2565
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.0069	0.2195	0.2195
Giardia lamblia	High cysteine protein	0.0069	0.2195	0.5
Loa Loa (eye worm)	hypothetical protein	0.0245	1	1
Brugia malayi	Calcium binding EGF domain containing protein	0.0069	0.2195	0.2195
Brugia malayi	GCC2 and GCC3 family protein	0.0069	0.2195	0.2195
Brugia malayi	Animal haem peroxidase family protein	0.0213	0.8558	0.8558
Loa Loa (eye worm)	animal heme peroxidase	0.0213	0.8558	0.8558
Echinococcus granulosus	delta-like protein 1	0.0069	0.2195	0.2565
Echinococcus multilocularis	musashi	0.0027	0.0347	0.0406
Loa Loa (eye worm)	hypothetical protein	0.0213	0.8558	0.8558
Brugia malayi	Animal haem peroxidase family protein	0.0213	0.8558	0.8558
Brugia malayi	EGF-like domain containing protein	0.0069	0.2195	0.2195
Schistosoma mansoni	cell polarity protein	0.0069	0.2195	0.2565
Loa Loa (eye worm)	hypothetical protein	0.0213	0.8558	0.8558
Echinococcus multilocularis	protein jagged 2	0.0069	0.2195	0.2565
Loa Loa (eye worm)	hypothetical protein	0.0069	0.2195	0.2195
Schistosoma mansoni	slit	0.0069	0.2195	0.2565
Echinococcus granulosus	lamin	0.0027	0.0347	0.0406
Schistosoma mansoni	lamin	0.0027	0.0347	0.0406
Schistosoma mansoni	hypothetical protein	0.0069	0.2195	0.2565
Onchocerca volvulus	Peroxidase homolog	0.0213	0.8558	1
Loa Loa (eye worm)	hypothetical protein	0.0213	0.8558	0.8558
Brugia malayi	intermediate filament protein	0.0027	0.0347	0.0347
Loa Loa (eye worm)	hypothetical protein	0.0213	0.8558	0.8558
Loa Loa (eye worm)	hypothetical protein	0.0213	0.8558	0.8558
Echinococcus granulosus	peroxidasin	0.0213	0.8558	1
Schistosoma mansoni	notch	0.0069	0.2195	0.2565
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0347	0.0347
Echinococcus multilocularis	neurogenic locus protein delta	0.0069	0.2195	0.2565
Echinococcus granulosus	protein jagged 2	0.0069	0.2195	0.2565
Loa Loa (eye worm)	hypothetical protein	0.0213	0.8558	0.8558
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	0.0126	0.4709	0.5
Echinococcus multilocularis	mitogen activated protein kinase 11	0.0126	0.4709	0.5502
Loa Loa (eye worm)	hypothetical protein	0.0069	0.2195	0.2195
Onchocerca volvulus		0.0069	0.2195	0.2251
Onchocerca volvulus	Dual oxidase homolog	0.0213	0.8558	1
Loa Loa (eye worm)	hypothetical protein	0.0069	0.2195	0.2195
Loa Loa (eye worm)	hypothetical protein	0.0213	0.8558	0.8558
Schistosoma mansoni	peroxidasin	0.0213	0.8558	1
Echinococcus granulosus	lamin dm0	0.0027	0.0347	0.0406
Brugia malayi	Intermediate filament tail domain containing protein	0.0027	0.0347	0.0347
Loa Loa (eye worm)	hypothetical protein	0.0069	0.2195	0.2195
Schistosoma mansoni	Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)]	0.0069	0.2195	0.2565
Loa Loa (eye worm)	hypothetical protein	0.0069	0.2195	0.2195
Loa Loa (eye worm)	hypothetical protein	0.0069	0.2195	0.2195
Loa Loa (eye worm)	hypothetical protein	0.0069	0.2195	0.2195
Loa Loa (eye worm)	hypothetical protein	0.0213	0.8558	0.8558
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0977	0.0977
Onchocerca volvulus		0.0069	0.2195	0.2251
Echinococcus granulosus	intermediate filament protein	0.0027	0.0347	0.0406
Schistosoma mansoni	laminin gamma-3 chain	0.0069	0.2195	0.2565
Brugia malayi	Peroxidasin	0.0213	0.8558	0.8558
Loa Loa (eye worm)	hypothetical protein	0.0213	0.8558	0.8558
Loa Loa (eye worm)	animal heme peroxidase	0.0213	0.8558	0.8558
Loa Loa (eye worm)	animal heme peroxidase	0.0213	0.8558	0.8558
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0204	0.8182	0.9561
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0027	0.0347	0.0347
Brugia malayi	EGF-like domain containing protein	0.0069	0.2195	0.2195
Brugia malayi	Animal haem peroxidase family protein	0.0213	0.8558	0.8558
Loa Loa (eye worm)	hypothetical protein	0.0069	0.2195	0.2195
Echinococcus multilocularis	neurogenic locus notch protein 4	0.0069	0.2195	0.2565
Echinococcus multilocularis	notch	0.0069	0.2195	0.2565
Loa Loa (eye worm)	hypothetical protein	0.0069	0.2195	0.2195
Onchocerca volvulus	Putative cubilin	0.0069	0.2195	0.2251
Brugia malayi	EGF-like domain containing protein	0.0069	0.2195	0.2195
Schistosoma mansoni	notch	0.0069	0.2195	0.2565
Echinococcus granulosus	neurogenic locus notch protein	0.0069	0.2195	0.2565
Schistosoma mansoni	hypothetical protein	0.0069	0.2195	0.2565
Brugia malayi	Cadherin domain containing protein	0.0069	0.2195	0.2195
Onchocerca volvulus	Peroxidasin homolog	0.0213	0.8558	1
Brugia malayi	EGF-like domain containing protein	0.0069	0.2195	0.2195
Schistosoma mansoni	hypothetical protein	0.0041	0.0977	0.1141
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.1818	0.1818
Loa Loa (eye worm)	blistered cuticle protein 3	0.0213	0.8558	0.8558
Loa Loa (eye worm)	hypothetical protein	0.0069	0.2195	0.2195
Onchocerca volvulus	Chorion peroxidase homolog	0.0213	0.8558	1
Echinococcus multilocularis	mitogen activated protein kinase 14	0.0126	0.4709	0.5502
Echinococcus granulosus	neurogenic locus notch protein	0.0069	0.2195	0.2565
Onchocerca volvulus		0.0069	0.2195	0.2251
Trypanosoma brucei	mitogen-activated protein kinase 3, putative	0.0126	0.4709	0.5
Brugia malayi	Muscle positioning protein 4	0.0069	0.2195	0.2195
Echinococcus multilocularis	fibropellin Ia	0.0069	0.2195	0.2565
Echinococcus multilocularis	slit 2 protein	0.0069	0.2195	0.2565
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0204	0.8182	0.9561
Loa Loa (eye worm)	hypothetical protein	0.0069	0.2195	0.2195
Loa Loa (eye worm)	hypothetical protein	0.0069	0.2195	0.2195
Loa Loa (eye worm)	hypothetical protein	0.0069	0.2195	0.2195
Loa Loa (eye worm)	hypothetical protein	0.0213	0.8558	0.8558
Echinococcus multilocularis	peroxidasin	0.0213	0.8558	1
Loa Loa (eye worm)	CMGC/MAPK/P38 protein kinase	0.0126	0.4709	0.4709
Echinococcus multilocularis	protein jagged 1	0.0069	0.2195	0.2565
Brugia malayi	Cadherin domain containing protein	0.0069	0.2195	0.2195
Loa Loa (eye worm)	hypothetical protein	0.0069	0.2195	0.2195
Onchocerca volvulus		0.0213	0.8558	1
Onchocerca volvulus		0.0213	0.8558	1
Echinococcus multilocularis	fat cadherin tumor suppressor	0.0069	0.2195	0.2565
Echinococcus multilocularis	protein jagged 1	0.0069	0.2195	0.2565
Schistosoma mansoni	notch	0.0069	0.2195	0.2565
Echinococcus granulosus	slit 2 protein	0.0069	0.2195	0.2565
Onchocerca volvulus	Neurogenic locus notch protein homolog	0.0069	0.2195	0.2251
Echinococcus multilocularis	mitogen activated protein kinase 14	0.0126	0.4709	0.5502
Schistosoma mansoni	septate junction protein	0.0069	0.2195	0.2565
Brugia malayi	EGF-like domain containing protein	0.0069	0.2195	0.2195
Echinococcus multilocularis	neural cadherin	0.0069	0.2195	0.2565
Schistosoma mansoni	notch	0.0069	0.2195	0.2565
Echinococcus granulosus	neural cadherin	0.0069	0.2195	0.2565
Schistosoma mansoni	hypothetical protein	0.0069	0.2195	0.2565
Schistosoma mansoni	intermediate filament proteins	0.0027	0.0347	0.0406
Brugia malayi	Calcium binding EGF domain containing protein	0.0069	0.2195	0.2195
Loa Loa (eye worm)	hypothetical protein	0.0069	0.2195	0.2195
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0325	0.0325
Onchocerca volvulus		0.0069	0.2195	0.2251
Loa Loa (eye worm)	hypothetical protein	0.0069	0.2195	0.2195
Echinococcus granulosus	mitogen activated protein kinase 11	0.0126	0.4709	0.5502
Loa Loa (eye worm)	hypothetical protein	0.0069	0.2195	0.2195
Schistosoma mansoni	hypothetical protein	0.0069	0.2195	0.2565
Echinococcus granulosus	protein jagged 2	0.0069	0.2195	0.2565
Toxoplasma gondii	EGF family domain-containing protein	0.0069	0.2195	0.5
Loa Loa (eye worm)	hypothetical protein	0.0213	0.8558	0.8558
Schistosoma mansoni	lamin	0.0027	0.0347	0.0406
Loa Loa (eye worm)	animal heme peroxidase	0.0213	0.8558	0.8558
Loa Loa (eye worm)	hypothetical protein	0.0069	0.2195	0.2195
Loa Loa (eye worm)	hypothetical protein	0.0069	0.2195	0.2195
Brugia malayi	P38 map kinase family protein 2	0.0126	0.4709	0.4709
Loa Loa (eye worm)	hypothetical protein	0.0213	0.8558	0.8558
Onchocerca volvulus		0.0213	0.8558	1
Loa Loa (eye worm)	hypothetical protein	0.0213	0.8558	0.8558
Loa Loa (eye worm)	hypothetical protein	0.0069	0.2195	0.2195
Echinococcus multilocularis	lamin dm0	0.0027	0.0347	0.0406
Loa Loa (eye worm)	notch protein	0.0069	0.2195	0.2195
Leishmania major	mitogen-activated protein kinase 3, putative,map kinase 3, putative	0.0126	0.4709	0.5
Schistosoma mansoni	hypothetical protein	0.0069	0.2195	0.2565
Schistosoma mansoni	notch	0.0069	0.2195	0.2565
Onchocerca volvulus	Peroxidasin homolog	0.0213	0.8558	1
Echinococcus multilocularis	neurogenic locus protein delta	0.0069	0.2195	0.2565
Brugia malayi	notch-like transmembrane receptor	0.0069	0.2195	0.2195
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0977	0.0977
Schistosoma mansoni	peroxidasin	0.0213	0.8558	1
Echinococcus granulosus	neurogenic locus notch protein 4	0.0069	0.2195	0.2565
Onchocerca volvulus	Slit protein homolog	0.0069	0.2195	0.2251
Brugia malayi	Animal haem peroxidase family protein	0.0213	0.8558	0.8558
Loa Loa (eye worm)	hypothetical protein	0.0069	0.2195	0.2195
Loa Loa (eye worm)	Notch2	0.0069	0.2195	0.2195
Onchocerca volvulus	Peroxidase homolog	0.0213	0.8558	1
Loa Loa (eye worm)	intermediate filament protein	0.0027	0.0347	0.0347
Brugia malayi	Blistered cuticle protein 3	0.0213	0.8558	0.8558
Brugia malayi	Animal haem peroxidase family protein	0.0213	0.8558	0.8558
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.1818	0.1818
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	0.0126	0.4709	0.5
Echinococcus granulosus	mitogen activated protein kinase 14	0.0126	0.4709	0.5502
Brugia malayi	Calcium binding EGF domain containing protein	0.0069	0.2195	0.2195

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 27 nM	Binding affinity for human recombinant corticotropin releasing factor receptor 1	ChEMBL.	10072679
Ki (binding)	= 27 nM	Binding affinity for human recombinant corticotropin releasing factor receptor 1	ChEMBL.	10072679

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: 10835160

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 286762