TDR Targets

Basic information

Technical information

TDR Targets ID: 773422
Name: 6-[[4-(2-methylpropylamino)-6-morpholin-4-yl- 1,3,5-triazin-2-yl]oxy]-2-phenylpyridazin-3-o ne
MW: 423.468 | Formula: C21H25N7O3
H donors: 1 H acceptors: 4 LogP: 3.09 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CC(CNc1nc(Oc2ccc(=O)n(n2)c2ccccc2)nc(n1)N1CCOCC1)C
InChi: 1S/C21H25N7O3/c1-15(2)14-22-19-23-20(27-10-12-30-13-11-27)25-21(24-19)31-17-8-9-18(29)28(26-17)16-6-4-3-5-7-16/h3-9,15H,10-14H2,1-2H3,(H,22,23,24,25)
InChiKey: YMUBTRPIPFDJCN-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

6-[[4-(isobutylamino)-6-morpholino-1,3,5-triazin-2-yl]oxy]-2-phenyl-pyridazin-3-one
6-[[4-(isobutylamino)-6-morpholino-1,3,5-triazin-2-yl]oxy]-2-phenyl-3-pyridazinone
6-[[4-(isobutylamino)-6-morpholino-s-triazin-2-yl]oxy]-2-phenyl-pyridazin-3-one
6-[[4-(2-methylpropylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-2-phenyl-pyridazin-3-one
ZINC01443803
6-{[4-(isobutylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy}-2-phenylpyridazin-3(2H)-one
MLS000043657
SMR000020669
A3776/0160216

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	conserved hypothetical protein	0.0013	0.0432	0.4897
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.3442	0.4318
Echinococcus granulosus	dna polymerase kappa	0.0019	0.0868	0.1083
Trichomonas vaginalis	conserved hypothetical protein	0.0013	0.0432	0.4897
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0013	0.0432	0.4897
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0019	0.0868	1
Trichomonas vaginalis	conserved hypothetical protein	0.0013	0.0432	0.4897
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0868	1
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0018	0.0834	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.3442	0.9085
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0018	0.0834	0.9179
Echinococcus granulosus	cpg binding protein	0.0059	0.3737	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.2023	0.4674
Trichomonas vaginalis	conserved hypothetical protein	0.0013	0.0432	0.4897
Schistosoma mansoni	cpg binding protein	0.0056	0.351	0.4403
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.2023	0.4674
Entamoeba histolytica	hypothetical protein	0.0035	0.2023	1
Entamoeba histolytica	hypothetical protein	0.0035	0.2023	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0868	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0868	1
Schistosoma mansoni	cpg binding protein	0.0059	0.3737	0.4688
Echinococcus multilocularis	dna polymerase eta	0.0019	0.0868	0.1083
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0014	0.0519	0.0651
Trichomonas vaginalis	ap endonuclease, putative	0.0018	0.0834	0.9601
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0868	0.0115
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.0868	1
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.0868	0.0131
Loa Loa (eye worm)	hypothetical protein	0.0148	1	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.3442	0.4318
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.3442	0.4318
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.3442	0.9085
Trichomonas vaginalis	ap endonuclease, putative	0.0018	0.0834	0.9601
Entamoeba histolytica	hypothetical protein	0.0035	0.2023	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0013	0.0432	0.4897
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0019	0.0868	0.4288
Echinococcus granulosus	dna polymerase eta	0.0019	0.0868	0.1083
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0119	0.7972	1
Brugia malayi	CXXC zinc finger family protein	0.0056	0.351	0.2987
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0018	0.0834	0.0078
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0868	1
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0019	0.0868	0.1088
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0868	1
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0019	0.0868	0.1083
Trichomonas vaginalis	helicase, putative	0.0013	0.0432	0.4897
Trichomonas vaginalis	conserved hypothetical protein	0.0013	0.0432	0.4897
Trypanosoma cruzi	DNA polymerase eta, putative	0.0019	0.0868	1
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0018	0.0834	1
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.2023	0.2538
Entamoeba histolytica	hypothetical protein	0.0035	0.2023	1
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0019	0.0868	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.3442	0.2914
Trypanosoma brucei	unspecified product	0.0019	0.0868	1
Giardia lamblia	DINP protein human, muc B family	0.0019	0.0868	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.3442	0.9085
Schistosoma mansoni	cpg binding protein	0.0059	0.3737	0.4688
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0008	0.0101	0.0127
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.0868	0.0131
Brugia malayi	hypothetical protein	0.0035	0.2023	0.138
Schistosoma mansoni	DNA polymerase eta	0.0019	0.0868	0.1088
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.0868	1
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0018	0.0834	0.0977
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0868	1
Brugia malayi	exodeoxyribonuclease III family protein	0.0018	0.0834	0.0095
Echinococcus multilocularis	dna polymerase kappa	0.0019	0.0868	0.1083
Echinococcus multilocularis	cpg binding protein	0.0059	0.3737	1
Trichomonas vaginalis	conserved hypothetical protein	0.0013	0.0432	0.4897
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0868	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0868	1
Leishmania major	DNA polymerase kappa, putative	0.0019	0.0868	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0868	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0013	0.0432	0.4897
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0013	0.0432	0.4897
Schistosoma mansoni	hypothetical protein	0.0035	0.2023	0.2538
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0019	0.0868	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0868	1
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0018	0.0834	0.5
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0018	0.0834	0.5
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0013	0.0432	0.4897
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0017	0.0762	0.0754
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0868	1
Leishmania major	DNA polymerase eta, putative	0.0019	0.0868	1
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0019	0.0868	0.0115
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0106	0.707	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0019	0.0868	1
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0056	0.351	0.2975
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0017	0.0762	0.0754
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0019	0.0868	0.1083
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0013	0.0432	0.4897
Trichomonas vaginalis	DNA polymerase eta, putative	0.0019	0.0868	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0013	0.0432	0.4897
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0868	1
Trypanosoma brucei	DNA polymerase eta, putative	0.0019	0.0868	1
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0018	0.0834	0.0977
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.3442	0.9085
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0868	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0868	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0868	1
Onchocerca volvulus		0.0148	1	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0013	0.0432	0.4897
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0018	0.0834	0.412
Trichomonas vaginalis	conserved hypothetical protein	0.0013	0.0432	0.4897
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.3442	0.2902
Schistosoma mansoni	ap endonuclease	0.0018	0.0834	0.1046
Trichomonas vaginalis	conserved hypothetical protein	0.0013	0.0432	0.4897
Trichomonas vaginalis	conserved hypothetical protein	0.0013	0.0432	0.4897
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0868	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0868	1
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0019	0.0868	0.1088
Schistosoma mansoni	ap endonuclease	0.0018	0.0834	0.1046

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	7.0795 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 25.1189 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	25.929 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference
Potency (functional)	= 44.6684 um	PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))]	ChEMBL.	No reference
Potency (functional)	112.2018 uM	PubChem BioAssay. qHTS for Agonist of cAMP-regulated guanine nucleotide exchange factor 4 (EPAC2): primary screen. (Class of assay: confirmatory)	ChEMBL.	No reference

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: CHEMBL1383308
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Bibliographic References

No literature references available for this target.

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Detailed information for compound 773422