TDR Targets

Basic information

Technical information

TDR Targets ID: 1573840
Name: N-(2-diethylaminoethyl)-2-(3-ethyl-4-oxophtha lazin-1-yl)acetamide hydrochloride
MW: 366.886 | Formula: C18H27ClN4O2
H donors: 1 H acceptors: 2 LogP: 2.59 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: CCN(CCNC(=O)Cc1nn(CC)c(=O)c2c1cccc2)CC.Cl
InChi: 1S/C18H26N4O2.ClH/c1-4-21(5-2)12-11-19-17(23)13-16-14-9-7-8-10-15(14)18(24)22(6-3)20-16;/h7-10H,4-6,11-13H2,1-3H3,(H,19,23);1H
InChiKey: LTGIJNCWUHXKBL-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-(2-diethylaminoethyl)-2-(3-ethyl-4-oxo-phthalazin-1-yl)acetamide hydrochloride
N-(2-diethylaminoethyl)-2-(3-ethyl-4-oxo-1-phthalazinyl)acetamide hydrochloride
N-(2-diethylaminoethyl)-2-(3-ethyl-4-keto-phthalazin-1-yl)acetamide hydrochloride
N-(2-diethylaminoethyl)-2-(3-ethyl-4-oxo-phthalazin-1-yl)ethanamide hydrochloride
MLS000070207
N-(2-Diethylamino-ethyl)-2-(3-ethyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-acetamide
SMR000011529

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
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	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
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
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	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
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
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

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
Entamoeba histolytica	hypothetical protein	0.0039	0.1471	1
Leishmania major	beta tubulin	0.0025	0.0631	0.7477
Leishmania major	beta tubulin	0.0025	0.0631	0.7477
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.242	0.2362
Echinococcus multilocularis	Tubulin beta 2C chain	0.0025	0.0631	0.0559
Trichomonas vaginalis	tubulin alpha chain, putative	0.0025	0.0631	0.5
Echinococcus granulosus	lamin dm0	0.0026	0.0718	0.0647
Trichomonas vaginalis	tubulin gamma chain, putative	0.0025	0.0631	0.5
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0718	0.0813
Schistosoma mansoni	tubulin subunit beta	0.0025	0.0631	0.0559
Echinococcus granulosus	Tubulin beta 2C chain	0.0025	0.0631	0.0559
Brugia malayi	beta-tubulin, identical	0.0025	0.0631	0.0715
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0017	0.0181	0.0106
Leishmania major	beta tubulin	0.0025	0.0631	0.7477
Trypanosoma brucei	beta tubulin	0.0025	0.0631	0.7477
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.242	0.2362
Leishmania major	beta tubulin	0.0025	0.0631	0.7477
Leishmania major	beta tubulin	0.0025	0.0631	0.7477
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0039	0.1471	0.1405
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0015	0.0076	0.0086
Echinococcus granulosus	tubulin beta 4A class IVa	0.0025	0.0631	0.0559
Loa Loa (eye worm)	hypothetical protein	0.0049	0.203	0.2299
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.3253	0.3201
Schistosoma mansoni	hypothetical protein	0.0039	0.1471	0.1405
Echinococcus granulosus	beta tubulin	0.0025	0.0631	0.0559
Leishmania major	beta tubulin	0.0025	0.0631	0.7477
Echinococcus multilocularis	geminin	0.0184	1	1
Toxoplasma gondii	beta tubulin	0.0025	0.0631	0.7477
Trypanosoma brucei	beta tubulin	0.0025	0.0631	0.7477
Brugia malayi	Tubulin beta-1 chain	0.0025	0.0631	0.0715
Toxoplasma gondii	LsmAD domain-containing protein	0.0027	0.0783	1
Plasmodium vivax	tubulin beta chain, putative	0.0025	0.0631	0.7477
Leishmania major	beta tubulin	0.0025	0.0631	0.7477
Toxoplasma gondii	beta-tubulin, putative	0.0025	0.0631	0.7477
Echinococcus multilocularis	beta tubulin	0.0025	0.0631	0.0559
Echinococcus multilocularis	tubulin beta 1 chain	0.0025	0.0631	0.0559
Brugia malayi	hypothetical protein	0.0164	0.8828	1
Plasmodium vivax	ataxin-2 like protein, putative	0.0027	0.0783	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0027	0.0783	1
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0017	0.0181	0.0106
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.3253	0.3201
Giardia lamblia	Beta tubulin	0.0025	0.0631	0.5
Trypanosoma cruzi	beta tubulin, putative	0.0025	0.0631	0.7477
Loa Loa (eye worm)	TAR-binding protein	0.0069	0.3253	0.3684
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.242	0.2741
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.242	0.2362
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.242	0.2362
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.203	0.2299
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0017	0.0181	0.0106
Trypanosoma brucei	beta tubulin	0.0025	0.0631	0.7477
Echinococcus multilocularis	Tubulin beta 2C chain	0.0025	0.0631	0.0559
Trypanosoma brucei	beta tubulin	0.0025	0.0631	0.7477
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.203	0.2299
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0017	0.0181	0.0106
Echinococcus granulosus	Tubulin beta 2C chain	0.0025	0.0631	0.0559
Echinococcus granulosus	Tubulin beta 2C chain	0.0025	0.0631	0.0559
Echinococcus granulosus	Tubulin beta 2C chain	0.0025	0.0631	0.0559
Echinococcus multilocularis	musashi	0.0026	0.0718	0.0647
Schistosoma mansoni	tubulin subunit beta	0.0025	0.0631	0.0559
Loa Loa (eye worm)	beta-tubulin	0.0025	0.0631	0.0715
Loa Loa (eye worm)	BEN-1 protein	0.0025	0.0631	0.0715
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0026	0.0718	0.0813
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0025	0.0631	0.5
Entamoeba histolytica	hypothetical protein	0.0039	0.1471	1
Brugia malayi	RNA binding protein	0.0069	0.3253	0.3684
Schistosoma mansoni	tubulin subunit beta	0.0025	0.0631	0.0559
Loa Loa (eye worm)	hypothetical protein	0.0033	0.1125	0.1275
Entamoeba histolytica	hypothetical protein	0.0039	0.1471	1
Loa Loa (eye worm)	hypothetical protein	0.0164	0.8828	1
Brugia malayi	RNA recognition motif domain containing protein	0.0069	0.3253	0.3684
Leishmania major	beta tubulin	0.0025	0.0631	0.7477
Brugia malayi	Latrophilin receptor protein 2	0.0015	0.0076	0.0086
Schistosoma mansoni	lamin	0.0026	0.0718	0.0647
Schistosoma mansoni	hypothetical protein	0.0184	1	1
Schistosoma mansoni	tubulin subunit beta	0.0025	0.0631	0.0559
Echinococcus granulosus	intermediate filament protein	0.0026	0.0718	0.0647
Schistosoma mansoni	lamin	0.0026	0.0718	0.0647
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0025	0.0631	0.5
Leishmania major	beta tubulin	0.0025	0.0631	0.7477
Echinococcus multilocularis	tar DNA binding protein	0.0069	0.3253	0.3201
Brugia malayi	hypothetical protein	0.0039	0.1471	0.1666
Trypanosoma cruzi	PAB1-binding protein , putative	0.0027	0.0783	1
Onchocerca volvulus		0.0164	0.8828	1
Loa Loa (eye worm)	RNA binding protein	0.0069	0.3253	0.3684
Loa Loa (eye worm)	tubulin beta-4 chain	0.0025	0.0631	0.0715
Loa Loa (eye worm)	tubulin beta-1 chain	0.0025	0.0631	0.0715
Schistosoma mansoni	intermediate filament proteins	0.0026	0.0718	0.0647
Schistosoma mansoni	hypothetical protein	0.0033	0.1125	0.1057
Giardia lamblia	Beta tubulin	0.0025	0.0631	0.5
Loa Loa (eye worm)	BEN-1 protein	0.0025	0.0631	0.0715
Leishmania major	beta tubulin	0.0025	0.0631	0.7477
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.1125	0.1275
Brugia malayi	intermediate filament protein	0.0026	0.0718	0.0813
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0017	0.0181	0.0106
Trypanosoma brucei	PAB1-binding protein , putative	0.0027	0.0783	1
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.3253	0.3201
Echinococcus multilocularis	Tubulin beta 2C chain	0.0025	0.0631	0.0559
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.203	0.2299
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0015	0.0076	0.0086
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0017	0.0181	0.0205
Echinococcus granulosus	beta tubulin	0.0025	0.0631	0.0559
Loa Loa (eye worm)	hypothetical protein	0.0026	0.069	0.0781
Echinococcus multilocularis	Tubulin beta 2C chain	0.0025	0.0631	0.0559
Leishmania major	beta tubulin	0.0025	0.0631	0.7477
Echinococcus multilocularis	isocitrate dehydrogenase	0.0017	0.0181	0.0106
Toxoplasma gondii	beta-1 tubulin, putative	0.0025	0.0631	0.7477
Leishmania major	beta tubulin	0.0025	0.0631	0.7477
Giardia lamblia	Beta tubulin	0.0025	0.0631	0.5
Schistosoma mansoni	tubulin subunit beta	0.0025	0.0631	0.0559
Leishmania major	beta tubulin	0.0025	0.0631	0.7477
Brugia malayi	hypothetical protein	0.0027	0.0783	0.0886
Brugia malayi	Intermediate filament tail domain containing protein	0.0026	0.0718	0.0813
Brugia malayi	Isocitrate dehydrogenase	0.0017	0.0181	0.0205
Leishmania major	beta tubulin	0.0025	0.0631	0.7477
Echinococcus multilocularis	tubulin subunit beta	0.0025	0.0631	0.0559
Trichomonas vaginalis	tubulin beta chain, putative	0.0025	0.0631	0.5
Entamoeba histolytica	hypothetical protein	0.0039	0.1471	1
Leishmania major	beta tubulin	0.0025	0.0631	0.7477
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0039	0.1471	0.1405
Echinococcus granulosus	tubulin beta 1 chain	0.0025	0.0631	0.0559
Loa Loa (eye worm)	tubulin beta chain	0.0025	0.0631	0.0715
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0017	0.0181	0.0106
Echinococcus multilocularis	Tubulin beta 2C chain	0.0025	0.0631	0.0559
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0783	0.0886
Schistosoma mansoni	hypothetical protein	0.0184	1	1
Echinococcus multilocularis	lamin	0.0026	0.0718	0.0647
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0069	0.3253	0.3684
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.242	0.2741
Echinococcus granulosus	lamin	0.0026	0.0718	0.0647
Echinococcus multilocularis	beta tubulin	0.0025	0.0631	0.0559
Trichomonas vaginalis	tubulin, putative	0.0025	0.0631	0.5
Echinococcus granulosus	tar DNA binding protein	0.0069	0.3253	0.3201
Leishmania major	beta tubulin	0.0025	0.0631	0.7477
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.3253	0.3201
Echinococcus granulosus	tubulin subunit beta	0.0025	0.0631	0.0559
Loa Loa (eye worm)	intermediate filament protein	0.0026	0.0718	0.0813
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0017	0.0181	0.5
Plasmodium falciparum	ataxin-2 like protein, putative	0.0027	0.0783	1
Brugia malayi	hypothetical protein	0.0018	0.0212	0.024
Leishmania major	beta tubulin	0.0025	0.0631	0.7477
Leishmania major	hypothetical protein, conserved	0.0027	0.0783	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0027	0.0783	1
Brugia malayi	isocitrate dehydrogenase	0.0017	0.0181	0.0205
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.242	0.2362
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.242	0.2362
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.3253	0.3201
Echinococcus multilocularis	tubulin, beta 4A class IVa	0.0025	0.0631	0.0559
Echinococcus multilocularis	lamin dm0	0.0026	0.0718	0.0647
Schistosoma mansoni	transcription factor LCR-F1	0.0039	0.1471	0.1405
Schistosoma mansoni	tubulin subunit beta	0.0025	0.0631	0.0559
Echinococcus granulosus	Tubulin beta 2C chain	0.0025	0.0631	0.0559
Brugia malayi	TAR-binding protein	0.0069	0.3253	0.3684
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0076	0.0086
Loa Loa (eye worm)	tubulin beta-2A chain	0.0025	0.0631	0.0715
Plasmodium falciparum	tubulin beta chain	0.0025	0.0631	0.7477
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.242	0.2362
Leishmania major	beta tubulin	0.0025	0.0631	0.7477

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.7943 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)	70.7946 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	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: CHEMBL1897702

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 1573840