TDR Targets

Basic information

Technical information

TDR Targets ID: 1378866
Name: 2-methyl-4-(4-pyridin-2-ylpiperazine-1-carbon yl)phthalazin-1-one
MW: 349.386 | Formula: C19H19N5O2
H donors: 0 H acceptors: 3 LogP: 1.62 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1nn(C)c(=O)c2c1cccc2)N1CCN(CC1)c1ccccn1
InChi: 1S/C19H19N5O2/c1-22-18(25)15-7-3-2-6-14(15)17(21-22)19(26)24-12-10-23(11-13-24)16-8-4-5-9-20-16/h2-9H,10-13H2,1H3
InChiKey: FJXRACGSAOOYHE-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

2-methyl-4-[4-(2-pyridyl)piperazine-1-carbonyl]phthalazin-1-one
2-methyl-4-[oxo-[4-(2-pyridyl)-1-piperazinyl]methyl]-1-phthalazinone
2-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-phthalazin-1-one

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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	AGC family protein kinase	0.0077	0.0195	0.2291
Trichomonas vaginalis	cyclins, putative	0.009	0.0693	1
Echinococcus granulosus	cyclin B	0.009	0.0693	0.0906
Loa Loa (eye worm)	hypothetical protein	0.0182	0.4039	0.4039
Echinococcus granulosus	Protein kinase C brain isozyme	0.0261	0.6936	0.907
Brugia malayi	Phorbol esters/diacylglycerol binding domain	0.0188	0.4271	0.5557
Trypanosoma cruzi	cyclin, putative	0.009	0.0693	0.5
Trichomonas vaginalis	cyclins, putative	0.009	0.0693	1
Onchocerca volvulus		0.0189	0.4312	0.5883
Brugia malayi	Protein kinase c protein 2	0.0191	0.4373	0.5692
Echinococcus granulosus	cyclin b3	0.009	0.0693	0.0906
Schistosoma mansoni	cyclins	0.009	0.0693	0.0906
Echinococcus multilocularis	cyclins	0.009	0.0693	0.0906
Entamoeba histolytica	cyclin family protein	0.009	0.0693	0.2522
Echinococcus multilocularis	protein kinase c epsilon type	0.028	0.7647	1
Schistosoma mansoni	serine/threonine protein kinase	0.0261	0.6936	0.907
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0261	0.6936	0.907
Loa Loa (eye worm)	hypothetical protein	0.012	0.1766	0.1766
Schistosoma mansoni	serine/threonine protein kinase	0.0073	0.0047	0.0062
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.028	0.7647	0.7647
Echinococcus multilocularis	cyclins	0.009	0.0693	0.0906
Echinococcus multilocularis	cyclin B	0.009	0.0693	0.0906
Loa Loa (eye worm)	cyclin domain-containing protein	0.009	0.0693	0.0693
Trichomonas vaginalis	conserved hypothetical protein	0.009	0.0693	1
Trichomonas vaginalis	cyclin A, putative	0.009	0.0693	1
Schistosoma mansoni	cyclin B	0.009	0.0693	0.0906
Trichomonas vaginalis	AGC family protein kinase	0.0077	0.0195	0.2291
Loa Loa (eye worm)	cyclin domain-containing protein	0.0261	0.6939	0.6939
Loa Loa (eye worm)	AGC/PKC/IOTA protein kinase	0.0155	0.3072	0.3072
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.0073	0.0047	0.0062
Echinococcus multilocularis	telomerase reverse transcriptase subunit	0.0116	0.1642	0.2147
Echinococcus granulosus	serine:threonine protein kinase N2	0.0139	0.246	0.3217
Echinococcus multilocularis	protein kinase c iota type	0.0219	0.5417	0.7084
Brugia malayi	protein kinase C II.	0.028	0.7647	1
Echinococcus granulosus	NDR protein kinase	0.0073	0.0047	0.0062
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.0073	0.0047	0.0062
Toxoplasma gondii	AGC kinase	0.0073	0.0047	0.5
Brugia malayi	C1-like domain containing protein	0.0188	0.4271	0.5557
Trichomonas vaginalis	cyclins, putative	0.009	0.0693	1
Trichomonas vaginalis	cyclins, putative	0.009	0.0693	1
Brugia malayi	Cyclin, N-terminal domain containing protein	0.009	0.0693	0.085
Echinococcus multilocularis	serine:threonine protein kinase 38	0.0073	0.0047	0.0062
Entamoeba histolytica	cyclin, putative	0.009	0.0693	0.2522
Trichomonas vaginalis	AGC family protein kinase	0.0077	0.0195	0.2291
Trichomonas vaginalis	AGC family protein kinase	0.0077	0.0195	0.2291
Echinococcus multilocularis	cyclins	0.009	0.0693	0.0906
Trichomonas vaginalis	cyclin B, putative	0.009	0.0693	1
Echinococcus multilocularis	cyclin b3	0.009	0.0693	0.0906
Schistosoma mansoni	serine/threonine protein kinase	0.0073	0.0047	0.0062
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0073	0.0047	0.0047
Schistosoma mansoni	serine/threonine protein kinase	0.0073	0.0047	0.0062
Loa Loa (eye worm)	CAMK/PKD protein kinase	0.0188	0.4271	0.4271
Trichomonas vaginalis	cyclin D, putative	0.009	0.0693	1
Giardia lamblia	Cyclin A	0.009	0.0693	0.5
Echinococcus multilocularis	G2:mitotic specific cyclin B3	0.009	0.0693	0.0906
Brugia malayi	protein kinase C3,putative	0.0149	0.2854	0.3693
Trichomonas vaginalis	AGC family protein kinase	0.0077	0.0195	0.2291
Brugia malayi	Protein kinase domain containing protein	0.0077	0.0195	0.0195
Loa Loa (eye worm)	AGC/PKN protein kinase	0.0073	0.0047	0.0047
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.0073	0.0047	0.0062
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.0073	0.0047	0.0047
Echinococcus multilocularis	cyclins	0.009	0.0693	0.0906
Entamoeba histolytica	protein kinase, putative	0.0077	0.0195	0.0578
Loa Loa (eye worm)	AGC/PKC/ALPHA protein kinase	0.0125	0.1975	0.1975
Echinococcus granulosus	protein kinase c iota type	0.0219	0.5417	0.7084
Echinococcus granulosus	serine:threonine protein kinase N2	0.0073	0.0047	0.0062
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0077	0.0195	0.0195
Loa Loa (eye worm)	hypothetical protein	0.0337	0.9726	0.9726
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0209	0.5024	0.6569
Loa Loa (eye worm)	hypothetical protein	0.012	0.1766	0.1766
Loa Loa (eye worm)	hypothetical protein	0.0185	0.4164	0.4164
Schistosoma mansoni	serine/threonine kinase	0.0073	0.0047	0.0062
Trichomonas vaginalis	AGC family protein kinase	0.0077	0.0195	0.2291
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.0073	0.0047	0.0047
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.0073	0.0047	0.0062
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0261	0.6939	0.9068
Trichomonas vaginalis	cyclin B, putative	0.009	0.0693	1
Leishmania major	CYC2-like cyclin, putative,cyclin 6, putative	0.009	0.0693	0.5
Brugia malayi	Cyclin, N-terminal domain containing protein	0.009	0.0693	0.085
Trypanosoma cruzi	cyclin 6, putative	0.009	0.0693	0.5
Trichomonas vaginalis	cyclin B, putative	0.009	0.0693	1
Schistosoma mansoni	atypical protein kinase C	0.0225	0.5636	0.7369
Loa Loa (eye worm)	hypothetical protein	0.0271	0.7329	0.7329
Echinococcus multilocularis	serine threonine protein kinase	0.0195	0.4539	0.5935
Echinococcus granulosus	cyclins	0.009	0.0693	0.0906
Echinococcus multilocularis	cyclins	0.009	0.0693	0.0906
Trichomonas vaginalis	cyclin B3, putative	0.009	0.0693	1
Echinococcus granulosus	cyclins	0.009	0.0693	0.0906
Schistosoma mansoni	serine/threonine protein kinase	0.028	0.7647	1
Schistosoma mansoni	serine/threonine protein kinase	0.0073	0.0047	0.0062
Schistosoma mansoni	serine/threonine protein kinase	0.0261	0.6936	0.907
Entamoeba histolytica	protein kinase, putative	0.0077	0.0195	0.0578
Echinococcus granulosus	cyclin B3 1	0.009	0.0693	0.0906
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.0073	0.0047	0.0047
Echinococcus granulosus	protein kinase C gamma type	0.0195	0.4539	0.5935
Loa Loa (eye worm)	hypothetical protein	0.0271	0.7329	0.7329
Echinococcus multilocularis	cyclins	0.009	0.0693	0.0906
Trypanosoma cruzi	cyclin, putative	0.009	0.0693	0.5
Loa Loa (eye worm)	hypothetical protein	0.009	0.0693	0.0693
Loa Loa (eye worm)	CAMK/PKD protein kinase	0.0123	0.1874	0.1874
Loa Loa (eye worm)	hypothetical protein	0.0189	0.4312	0.4312
Schistosoma mansoni	protein kinase C mu	0.0188	0.4271	0.5585
Trichomonas vaginalis	AGC family protein kinase	0.0077	0.0195	0.2291
Trypanosoma brucei	mitotic cyclin 6	0.009	0.0693	1
Schistosoma mansoni	cyclin B3	0.009	0.0693	0.0906
Brugia malayi	Cyclin, N-terminal domain containing protein	0.009	0.0693	0.085
Onchocerca volvulus		0.0185	0.4164	0.5681
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.0073	0.0047	0.0062
Loa Loa (eye worm)	hypothetical protein	0.0271	0.7329	0.7329
Echinococcus granulosus	cyclins	0.009	0.0693	0.0906
Onchocerca volvulus		0.009	0.0693	0.0946
Echinococcus multilocularis	RNA directed DNA polymerase	0.0116	0.1642	0.2147
Echinococcus granulosus	G2:mitotic specific cyclin B3	0.009	0.0693	0.0906
Leishmania major	cyclin	0.009	0.0693	0.5
Echinococcus granulosus	RNA directed DNA polymerase	0.0116	0.1642	0.2147
Trichomonas vaginalis	cyclin B, putative	0.009	0.0693	1
Entamoeba histolytica	cyclin family protein	0.009	0.0693	0.2522
Trichomonas vaginalis	cyclin B, putative	0.009	0.0693	1
Giardia lamblia	Hypothetical protein	0.009	0.0693	0.5
Loa Loa (eye worm)	hypothetical protein	0.0116	0.1642	0.1642
Echinococcus granulosus	protein kinase c epsilon type	0.028	0.7647	1
Onchocerca volvulus		0.0271	0.7329	1
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0143	0.2608	1
Trichomonas vaginalis	cyclin D, putative	0.009	0.0693	1
Echinococcus multilocularis	cyclin B3 1	0.009	0.0693	0.0906
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.0073	0.0047	0.0062
Onchocerca volvulus		0.012	0.1766	0.241
Loa Loa (eye worm)	hypothetical protein	0.009	0.0693	0.0693
Plasmodium falciparum	cyclin	0.009	0.0693	0.5
Entamoeba histolytica	cyclin, putative	0.009	0.0693	0.2522
Echinococcus granulosus	cyclins	0.009	0.0693	0.0906
Echinococcus granulosus	cyclins	0.009	0.0693	0.0906
Trypanosoma cruzi	CYC2-like cyclin, putative	0.009	0.0693	0.5
Loa Loa (eye worm)	AGC/NDR protein kinase	0.0073	0.0047	0.0047
Trichomonas vaginalis	cyclins, putative	0.009	0.0693	1
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0073	0.0047	0.0062
Giardia lamblia	G2/mitotic-specific cyclin B	0.009	0.0693	0.5
Echinococcus multilocularis	cyclins	0.009	0.0693	0.0906
Trichomonas vaginalis	AGC family protein kinase	0.0077	0.0195	0.2291

Activities

No activities found for this compound.

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: CHEMBL1514206

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 1378866