TDR Targets

Basic information

Technical information

TDR Targets ID: 1517063
Name: 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin- 3-yl)pyrazol-4-yl]-N-(2-methoxy-5-methylpheny l)propanamide
MW: 450.533 | Formula: C24H30N6O3
H donors: 1 H acceptors: 4 LogP: 2.43 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1NC(=O)CCc1c(C)nn(c1C)c1ccc(nn1)N1CCOCC1)C
InChi: 1S/C24H30N6O3/c1-16-5-7-21(32-4)20(15-16)25-24(31)10-6-19-17(2)28-30(18(19)3)23-9-8-22(26-27-23)29-11-13-33-14-12-29/h5,7-9,15H,6,10-14H2,1-4H3,(H,25,31)
InChiKey: JSWCELPALJJHCD-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

3-[3,5-dimethyl-1-(6-morpholinopyridazin-3-yl)pyrazol-4-yl]-N-(2-methoxy-5-methyl-phenyl)propanamide
3-[3,5-dimethyl-1-(6-morpholino-3-pyridazinyl)-4-pyrazolyl]-N-(2-methoxy-5-methylphenyl)propanamide
3-[3,5-dimethyl-1-(6-morpholinopyridazin-3-yl)pyrazol-4-yl]-N-(2-methoxy-5-methyl-phenyl)propionamide
3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]-N-(2-methoxy-5-methyl-phenyl)propanamide
G267-1038
NCGC00130144-01

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	nuclear factor, erythroid 2-like 2	Starlite/ChEMBL	No references
Homo sapiens	TAR DNA binding protein	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus multilocularis	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA recognition motif domain containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus granulosus	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461

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
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0047	0.4383	1
Entamoeba histolytica	hypothetical protein	0.0043	0.3668	0.8368
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0047	0.4383	0.4383
Leishmania major	cysteine peptidase A (CPA)	0.0047	0.4383	0.5
Toxoplasma gondii	cathepsin CPL	0.0047	0.4383	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0047	0.4383	1
Entamoeba histolytica	hypothetical protein	0.0043	0.3668	0.8368
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0047	0.4383	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0032	0.1395	0.1395
Brugia malayi	Cathepsin L-like precursor	0.0047	0.4383	0.4383
Onchocerca volvulus	Cathepsin F homolog	0.0047	0.4383	1
Brugia malayi	Cathepsin L-like precursor	0.0047	0.4383	0.4383
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0047	0.4383	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0047	0.4383	0.4383
Brugia malayi	Cathepsin L-like precursor	0.0032	0.1395	0.1395
Plasmodium vivax	vivapain-2	0.0047	0.4383	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0047	0.4383	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0047	0.4383	0.3473
Echinococcus multilocularis	cysteine protease	0.0047	0.4383	0.4383
Leishmania major	cathepsin L-like protease	0.0047	0.4383	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0032	0.1395	0.3182
Brugia malayi	Cathepsin L-like precursor	0.0047	0.4383	0.4383
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0047	0.4383	1
Schistosoma mansoni	transcription factor LCR-F1	0.0043	0.3668	0.3668
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0047	0.4383	1
Leishmania major	cathepsin L-like protease	0.0047	0.4383	0.5
Brugia malayi	Cathepsin L-like precursor	0.0047	0.4383	0.4383
Leishmania major	cathepsin L-like protease	0.0047	0.4383	0.5
Echinococcus granulosus	cathepsin l1	0.0047	0.4383	0.4383
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0047	0.4383	1
Entamoeba histolytica	cysteine proteinase, putative	0.0032	0.1395	0.3182
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0047	0.4383	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0047	0.4383	0.4383
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0047	0.4383	1
Onchocerca volvulus	Cathepsin L homolog	0.0047	0.4383	1
Entamoeba histolytica	cysteine proteinase, putative	0.0047	0.4383	1
Brugia malayi	Cathepsin L-like precursor	0.0032	0.1395	0.1395
Leishmania major	cathepsin L-like protease	0.0047	0.4383	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0047	0.4383	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0047	0.4383	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0047	0.4383	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0047	0.4383	1
Onchocerca volvulus		0.0047	0.4383	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0047	0.4383	0.4383
Echinococcus multilocularis	cysteine protease	0.0047	0.4383	0.4383
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0047	0.4383	1
Brugia malayi	Papain family cysteine protease containing protein	0.0047	0.4383	0.4383
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0047	0.4383	0.4383
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0047	0.4383	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0047	0.4383	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0032	0.1395	0.3182
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0047	0.4383	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0032	0.1395	0.3182
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0043	0.3668	0.3668
Trypanosoma cruzi	cysteine peptidase, putative	0.0047	0.4383	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0047	0.4383	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0047	0.4383	1
Entamoeba histolytica	cysteine proteinase, putative	0.0047	0.4383	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0047	0.4383	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0047	0.4383	1
Leishmania major	cathepsin L-like protease	0.0047	0.4383	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0047	0.4383	1
Echinococcus granulosus	cathepsin l1	0.0032	0.1395	0.1395
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0047	0.4383	1
Onchocerca volvulus		0.0047	0.4383	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0047	0.4383	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0047	0.4383	1
Brugia malayi	Cathepsin L-like precursor	0.0047	0.4383	0.4383
Onchocerca volvulus		0.0047	0.4383	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0047	0.4383	1
Brugia malayi	cathepsin L-like precursor	0.0032	0.1395	0.1395
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0047	0.4383	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0047	0.4383	1
Brugia malayi	hypothetical protein	0.0043	0.3668	0.3668
Onchocerca volvulus	Cathepsin L homolog	0.0047	0.4383	1
Entamoeba histolytica	hypothetical protein	0.0043	0.3668	0.8368
Onchocerca volvulus		0.0047	0.4383	1
Leishmania major	cathepsin L-like protease	0.0047	0.4383	0.5
Leishmania major	cathepsin L-like protease	0.0047	0.4383	0.5
Loa Loa (eye worm)	hypothetical protein	0.0047	0.4383	0.3473
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0047	0.4383	1
Loa Loa (eye worm)	ctsf protein	0.0047	0.4383	0.3473
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0047	0.4383	1
Entamoeba histolytica	cysteine protease, putative	0.0047	0.4383	1
Loa Loa (eye worm)	cysteine protease	0.0047	0.4383	0.3473
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0047	0.4383	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0047	0.4383	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0047	0.4383	1
Loa Loa (eye worm)	fibroinase	0.0047	0.4383	0.3473
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0047	0.4383	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0047	0.4383	0.4383
Brugia malayi	Cathepsin L-like precursor	0.0047	0.4383	0.4383
Leishmania major	cathepsin L-like protease	0.0047	0.4383	0.5
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0032	0.1395	0.1395
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0047	0.4383	0.4383
Plasmodium vivax	vivapain-2	0.0047	0.4383	1
Onchocerca volvulus		0.0047	0.4383	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0047	0.4383	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0047	0.4383	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0047	0.4383	1
Schistosoma mansoni	hypothetical protein	0.0043	0.3668	0.3668
Trypanosoma cruzi	cysteine peptidase, putative	0.0047	0.4383	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0043	0.3668	0.3668
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0047	0.4383	0.3473
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0047	0.4383	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0047	0.4383	0.4383
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0047	0.4383	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0047	0.4383	1
Onchocerca volvulus		0.0047	0.4383	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0047	0.4383	1
Onchocerca volvulus		0.0047	0.4383	1
Entamoeba histolytica	hypothetical protein	0.0043	0.3668	0.8368

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	5.6234 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249]	ChEMBL.	No reference
Potency (functional)	7.0795 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	9.2 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23

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: CHEMBL1704150

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1517063