TDR Targets

Basic information

Technical information

TDR Targets ID: 1319147
Name: N-(3-cyanophenyl)-2-[3-(4-methylphenyl)-6-oxo pyridazin-1-yl]acetamide
MW: 344.367 | Formula: C20H16N4O2
H donors: 1 H acceptors: 3 LogP: 2.43 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: N#Cc1cccc(c1)NC(=O)Cn1nc(ccc1=O)c1ccc(cc1)C
InChi: 1S/C20H16N4O2/c1-14-5-7-16(8-6-14)18-9-10-20(26)24(23-18)13-19(25)22-17-4-2-3-15(11-17)12-21/h2-11H,13H2,1H3,(H,22,25)
InChiKey: ZFTYUMXJMBASQZ-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-(3-cyanophenyl)-2-[3-(4-methylphenyl)-6-oxo-pyridazin-1-yl]acetamide
N-(3-cyanophenyl)-2-[3-(4-methylphenyl)-6-oxo-1-pyridazinyl]acetamide
N-(3-cyanophenyl)-2-[6-keto-3-(4-methylphenyl)pyridazin-1-yl]acetamide
N-(3-cyanophenyl)-2-[3-(4-methylphenyl)-6-oxo-pyridazin-1-yl]ethanamide
D262-1152
NCGC00117596-01

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Equus caballus	Ferritin light chain	Starlite/ChEMBL	No references
Homo sapiens	bromodomain adjacent to zinc finger domain, 2B	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	bromodomain containing protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	expressed protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	ko:K01549 ATP synthase [EC3.6.3.14], putative	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	Conserved hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Brugia malayi	Bromodomain containing protein	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	Cleft lip and palate transmembrane protein 1-like protein, putative	Get druggable targets OG5_131570	All targets in OG5_131570

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma japonicum	Ferritin, putative	Ferritin light chain	175 aa	144 aa	24.3 %
Schistosoma mansoni	ferritin	Ferritin light chain	175 aa	171 aa	44.4 %
Echinococcus multilocularis	expressed protein	Ferritin light chain	175 aa	146 aa	30.1 %
Echinococcus granulosus	expressed protein	Ferritin light chain	175 aa	146 aa	28.8 %
Schistosoma mansoni	apoferritin-2	Ferritin light chain	175 aa	146 aa	28.8 %
Schistosoma mansoni	apoferritin-2	Ferritin light chain	175 aa	142 aa	29.6 %
Schistosoma mansoni	ferritin	Ferritin light chain	175 aa	171 aa	43.9 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0058	0.2423	1
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0022	0.0238	0.0238
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0022	0.0238	1
Brugia malayi	Probable ClpP-like protease	0.0089	0.4262	0.5862
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0022	0.0238	1
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0089	0.4262	0.5
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0022	0.0238	0.5
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0089	0.4262	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0139	0.7271	1
Brugia malayi	PHD-finger family protein	0.003	0.0731	0.1005
Trichomonas vaginalis	ap endonuclease, putative	0.0022	0.0238	0.5
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0022	0.0238	1
Trichomonas vaginalis	ap endonuclease, putative	0.0022	0.0238	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0095	0.4617	0.4617
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0095	0.4617	0.4617
Brugia malayi	Bromodomain containing protein	0.0046	0.1703	0.2342
Schistosoma mansoni	ap endonuclease	0.0022	0.0238	0.0238
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0022	0.0238	0.0238
Schistosoma mansoni	peptidase Clp (S14 family)	0.0089	0.4262	0.4262
Loa Loa (eye worm)	hypothetical protein	0.0057	0.2327	0.32
Loa Loa (eye worm)	hypothetical protein	0.0085	0.4056	0.5578
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0095	0.4617	0.635
Brugia malayi	exodeoxyribonuclease III family protein	0.0022	0.0238	0.0328
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0072	0.3256	0.3256
Loa Loa (eye worm)	hypothetical protein	0.0049	0.188	0.2585
Echinococcus granulosus	zinc finger protein	0.0024	0.0344	0.0344
Echinococcus multilocularis	zinc finger protein	0.0024	0.0344	0.0344
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0031	0.0763	0.1303
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0021	0.0161	0.0161
Brugia malayi	latrophilin 2 splice variant baaae	0.0039	0.125	0.1719
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0089	0.4262	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0095	0.4617	0.4617
Schistosoma mansoni	hypothetical protein	0.0039	0.125	0.125
Loa Loa (eye worm)	hypothetical protein	0.0052	0.2018	0.2776
Loa Loa (eye worm)	PHD-finger family protein	0.0025	0.0421	0.0578
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0058	0.2423	0.4744
Loa Loa (eye worm)	hypothetical protein	0.0046	0.1708	0.2349
Echinococcus granulosus	histone lysine methyltransferase setb	0.0021	0.0161	0.0161
Loa Loa (eye worm)	transcription factor SMAD2	0.0139	0.7271	1
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0021	0.0161	0.0161
Schistosoma mansoni	zinc finger protein	0.0024	0.0344	0.0344
Schistosoma mansoni	ap endonuclease	0.0022	0.0238	0.0238
Loa Loa (eye worm)	hypothetical protein	0.0089	0.4262	0.5862
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0095	0.4617	0.4617
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0089	0.4262	1
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0043	0.1531	0.1531
Echinococcus granulosus	fetal alzheimer antigen falz	0.0027	0.0559	0.0559
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0072	0.3256	0.3256
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0022	0.0238	0.0328
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0031	0.0763	0.1303
Schistosoma mansoni	hypothetical protein	0.0184	1	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0161	0.0221
Brugia malayi	MH2 domain containing protein	0.0139	0.7271	1
Schistosoma mansoni	hypothetical protein	0.0184	1	1
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0031	0.0763	0.1303
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0057	0.2327	0.32
Echinococcus granulosus	peptidase Clp S14 family	0.0058	0.2423	0.2423
Schistosoma mansoni	zinc finger protein	0.0018	0.0033	0.0033
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0089	0.4262	1
Schistosoma mansoni	hypothetical protein	0.0018	0.0033	0.0033
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0095	0.4617	0.4617
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0095	0.4617	0.4617
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0057	0.2327	0.32
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0021	0.0161	0.0161
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0058	0.2423	0.2423
Echinococcus granulosus	methyl CpG binding domain protein 2	0.0021	0.0161	0.0161
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0027	0.0559	0.0559
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0095	0.4617	0.4617
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0057	0.2327	0.32
Brugia malayi	Bromodomain containing protein	0.0091	0.4366	0.6005
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0089	0.4262	0.4262
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0089	0.4262	0.4262
Schistosoma mansoni	bromodomain containing protein	0.0076	0.3516	0.3516
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0089	0.4262	1
Toxoplasma gondii	hypothetical protein	0.0031	0.0763	0.1303
Loa Loa (eye worm)	bromodomain containing protein	0.0021	0.0205	0.0282
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0022	0.0238	0.5
Loa Loa (eye worm)	hypothetical protein	0.0039	0.125	0.1719
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0089	0.4262	1
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0089	0.4262	1
Schistosoma mansoni	hypothetical protein	0.0025	0.0421	0.0421
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0089	0.4262	1
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0089	0.4262	0.5
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0021	0.0161	0.0161
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0022	0.0238	1
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0027	0.0559	0.0559
Echinococcus multilocularis	geminin	0.0184	1	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0095	0.4617	0.635
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0058	0.2423	1
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0021	0.0161	0.0161
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0089	0.4262	1
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0043	0.1531	0.1531
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.0021	0.0161	0.0161

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	1 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference
Potency (binding)	= 1.9953 um	PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)]	ChEMBL.	No reference
Potency (functional)	= 79.4328 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)	89.1251 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771]	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: CHEMBL1434434

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1319147