TDR Targets

Basic information

Technical information

TDR Targets ID: 422266
Name: N-butyl-4-(2,6-dimethoxypyridin-3-yl)-N-ethyl -6-methyl-2,3-dihydro-1H-pyrido[2,3-b]pyrazin -8-amine
MW: 385.503 | Formula: C21H31N5O2
H donors: 1 H acceptors: 2 LogP: 4.3 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCCCN(c1cc(C)nc2c1NCCN2c1ccc(nc1OC)OC)CC
InChi: 1S/C21H31N5O2/c1-6-8-12-25(7-2)17-14-15(3)23-20-19(17)22-11-13-26(20)16-9-10-18(27-4)24-21(16)28-5/h9-10,14,22H,6-8,11-13H2,1-5H3
InChiKey: ZJEDWKRGKJFPCF-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-butyl-4-(2,6-dimethoxy-3-pyridyl)-N-ethyl-6-methyl-2,3-dihydro-1H-pyrido[2,3-b]pyrazin-8-amine
butyl-[4-(2,6-dimethoxy-3-pyridyl)-6-methyl-2,3-dihydro-1H-pyrido[2,3-b]pyrazin-8-yl]-ethyl-amine

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Corticotropin releasing factor receptor 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
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
Schistosoma japonicum	IPR001879,Hormone receptor, extracellular,domain-containing	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
Onchocerca volvulus	Pseudouridine-5 prime-monophosphatase homolog	Corticotropin releasing factor receptor 1	415 aa	401 aa	27.2 %
Onchocerca volvulus		Corticotropin releasing factor receptor 1	415 aa	401 aa	30.2 %
Loa Loa (eye worm)	pigment dispersing factor receptor c	Corticotropin releasing factor receptor 1	415 aa	394 aa	27.7 %
Loa Loa (eye worm)	hypothetical protein	Corticotropin releasing factor receptor 1	415 aa	359 aa	21.4 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	conserved hypothetical protein	0.5395	0.2969	0.5
Toxoplasma gondii	ICE family protease (caspase) p20 domain-containing protein	0.5395	0.2969	0.5
Trypanosoma cruzi	metacaspase 5, putative	0.5395	0.2969	0.5
Brugia malayi	Cell death protein 3 precursor	0.7117	0.4257	1
Brugia malayi	mucosa associated lymphoid tissue lymphoma translocation protein 1	0.5395	0.2969	0.6975
Schistosoma mansoni	subfamily C14A unassigned peptidase (C14 family)	0.5395	0.2969	0.2969
Leishmania major	metacaspase, putative	0.5395	0.2969	0.5
Plasmodium vivax	metacaspase 1, putative	0.5395	0.2969	0.5
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.5395	0.2969	0.5
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.5395	0.2969	0.5
Echinococcus multilocularis	caspase 3, apoptosis cysteine peptidase	1.4799	1	1
Loa Loa (eye worm)	hypothetical protein	0.5395	0.2969	0.6975
Echinococcus multilocularis	caspase	1.4799	1	1
Echinococcus granulosus	caspase 2	0.7117	0.4257	0.4257
Loa Loa (eye worm)	hypothetical protein	0.7117	0.4257	1
Trichomonas vaginalis	conserved hypothetical protein	0.5395	0.2969	0.5
Trypanosoma brucei	metacaspase 5, putative	0.5395	0.2969	0.5
Toxoplasma gondii	ICE family protease (caspase) p20 domain-containing protein	0.5395	0.2969	0.5
Schistosoma mansoni	caspase-7 (C14 family)	1.4799	1	1
Trypanosoma cruzi	metacaspase, putative	0.5395	0.2969	0.5
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.5395	0.2969	0.5
Plasmodium falciparum	metacaspase-like protein	0.5395	0.2969	0.5
Schistosoma mansoni	caspase-7 (C14 family)	0.7117	0.4257	0.4257
Schistosoma mansoni	caspase-3 (C14 family)	1.4799	1	1
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.5395	0.2969	0.5
Trypanosoma brucei	metacaspase	0.5395	0.2969	0.5
Echinococcus granulosus	caspase 8	0.5395	0.2969	0.2969
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.5395	0.2969	0.5
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.5395	0.2969	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.5395	0.2969	0.5
Echinococcus multilocularis	caspase 8	0.5395	0.2969	0.2969
Toxoplasma gondii	ICE family protease (caspase) p20 domain-containing protein	0.5395	0.2969	0.5
Trypanosoma cruzi	metacaspase, putative	0.5395	0.2969	0.5
Trypanosoma cruzi	metacaspase 5, putative	0.5395	0.2969	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.5395	0.2969	0.5
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.5395	0.2969	0.5
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.5395	0.2969	0.5
Onchocerca volvulus	Cell death protein 3 homolog	0.7117	0.4257	1
Echinococcus granulosus	caspase	1.4799	1	1
Echinococcus multilocularis	caspase 3	0.9404	0.5967	0.5967
Trypanosoma brucei	Metacaspase-4	0.5395	0.2969	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.5395	0.2969	0.5
Trypanosoma brucei	metacaspase MCA3	0.5395	0.2969	0.5
Plasmodium falciparum	metacaspase 1	0.5395	0.2969	0.5
Trypanosoma cruzi	metacaspase, putative	0.5395	0.2969	0.5
Trypanosoma brucei	metacaspase MCA2	0.5395	0.2969	0.5
Echinococcus multilocularis	caspase 2	0.7117	0.4257	0.4257
Trichomonas vaginalis	conserved hypothetical protein	0.5395	0.2969	0.5
Plasmodium vivax	hypothetical protein, conserved	0.5395	0.2969	0.5
Trypanosoma cruzi	metacaspase, putative	0.5395	0.2969	0.5
Echinococcus granulosus	caspase 3	0.9404	0.5967	0.5967
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.5395	0.2969	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 2.2 nM	Displacement of [125I]Tyr-o-CRF from CRF1 receptor in rat frontal cortex homogenates	ChEMBL.	17402721
IC50 (binding)	= 2.2 nM	Displacement of [125I]Tyr-o-CRF from CRF1 receptor in rat frontal cortex homogenates	ChEMBL.	17402721

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: 24768332

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 422266