TDR Targets

Basic information

Technical information

TDR Targets ID: 42654
Name: 3-(2,4-dichlorophenyl)-2-methylpyrido[3,2-d]p yrimidin-4-one
MW: 306.147 | Formula: C14H9Cl2N3O
H donors: 0 H acceptors: 2 LogP: 2.95 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc(c(c1)Cl)n1c(C)nc2c(c1=O)nccc2
InChi: 1S/C14H9Cl2N3O/c1-8-18-11-3-2-6-17-13(11)14(20)19(8)12-5-4-9(15)7-10(12)16/h2-7H,1H3
InChiKey: VLEFLMFXKHSAPP-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-(2,4-dichlorophenyl)-2-methyl-pyrido[3,2-d]pyrimidin-4-one
3-(2,4-dichlorophenyl)-2-methyl-4-pyrido[3,2-d]pyrimidinone
3-(2,4-dichlorophenyl)-2-methylpyrido[2,3-e]pyrimidin-4-one
3-(2,4-dichlorophenyl)-2-methyl-pyrido[2,3-e]pyrimidin-4-one
3-(2,4-dichlorophenyl)-2-methyl-4-pyrido[2,3-e]pyrimidinone
86542-80-5
Pyrido(3,2-d)pyrimidin-4(3H)-one, 3-(2,4-dichlorophenyl)-2-methyl-
3-(2,4-Dichlorophenyl)-2-methylpyrido(3,2-d)pyrimidin-4(3H)-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
Plasmodium vivax	endoplasmin, putative	0.0046	0.0465	0.1074
Treponema pallidum	heat shock protein 90	0.0043	0.038	0.5
Plasmodium falciparum	ataxin-2 like protein, putative	0.0075	0.1346	0.2969
Entamoeba histolytica	hypothetical protein	0.0145	0.3459	1
Trypanosoma cruzi	heat shock protein 90, putative	0.0039	0.0265	0.1968
Toxoplasma gondii	Hsp90 domain-containing protein	0.0174	0.4332	1
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0064	0.1002	0.7445
Trypanosoma brucei	heat shock protein 90, putative	0.0046	0.0465	0.3456
Echinococcus multilocularis	endoplasmin	0.0043	0.038	0.0412
Trichomonas vaginalis	heat shock protein, putative	0.0039	0.0265	0.4732
Leishmania major	heat shock protein 83-1	0.0046	0.0465	0.3456
Giardia lamblia	Grp94/Hsp90	0.0043	0.038	0.5748
Leishmania major	heat shock protein 83-1	0.0046	0.0465	0.3456
Loa Loa (eye worm)	transcription factor SMAD2	0.0363	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0193	0.4888	0.5295
Trypanosoma cruzi	PAB1-binding protein , putative	0.0075	0.1346	1
Trypanosoma cruzi	Heat shock protein 83, putative	0.0046	0.0465	0.3456
Entamoeba histolytica	heat shock protein 90, putative	0.0046	0.0465	0.1345
Leishmania major	heat shock protein 83-1	0.0046	0.0465	0.3456
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0145	0.3459	0.3746
Toxoplasma gondii	heat shock protein HSP90	0.0046	0.0465	0.1074
Brugia malayi	hypothetical protein	0.0075	0.1346	0.1346
Brugia malayi	Endoplasmin precursor	0.0046	0.0465	0.0465
Toxoplasma gondii	heat shock protein 90, putative	0.0046	0.0465	0.1074
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0034	0.0096	0.0104
Onchocerca volvulus	Heat shock protein 75 kDa, mitochondrial homolog	0.0031	0	0.5
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0034	0.0096	0.0104
Trypanosoma brucei	heat shock protein, putative	0.0046	0.0465	0.3456
Leishmania major	heat shock protein 83-1	0.0046	0.0465	0.3456
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0064	0.1002	0.1002
Plasmodium falciparum	ataxin-2 like protein, putative	0.0075	0.1346	0.2969
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0064	0.1002	0.1086
Trichomonas vaginalis	heat shock protein, putative	0.0043	0.038	0.776
Echinococcus granulosus	tar DNA binding protein	0.0193	0.4888	0.5295
Schistosoma mansoni	hypothetical protein	0.0337	0.9231	1
Schistosoma mansoni	tar DNA-binding protein	0.0193	0.4888	0.5295
Plasmodium vivax	ataxin-2 like protein, putative	0.0075	0.1346	0.3108
Trypanosoma brucei	Heat shock protein 83, putative	0.0046	0.0465	0.3456
Trypanosoma brucei	heat shock protein, putative	0.0046	0.0465	0.3456
Echinococcus granulosus	heat shock protein heat shock protein 90 alpha	0.0039	0.0265	0.0287
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0064	0.1002	0.7445
Trypanosoma brucei	heat shock protein, putative	0.0046	0.0465	0.3456
Trypanosoma brucei	heat shock protein 90, putative	0.0046	0.0465	0.3456
Brugia malayi	hypothetical protein	0.0049	0.0543	0.0543
Schistosoma mansoni	transcription factor LCR-F1	0.0145	0.3459	0.3746
Echinococcus granulosus	heat shock protein 90	0.0039	0.0265	0.0287
Wolbachia endosymbiont of Brugia malayi	heat shock protein 90	0.0043	0.038	0.5
Echinococcus multilocularis	heat shock protein 90	0.0039	0.0265	0.0287
Trypanosoma brucei	PAB1-binding protein , putative	0.0075	0.1346	1
Brugia malayi	TAR-binding protein	0.0193	0.4888	0.4888
Brugia malayi	isocitrate dehydrogenase	0.0064	0.1002	0.1002
Schistosoma mansoni	heat shock protein	0.0046	0.0465	0.0504
Leishmania major	heat shock protein 83-1	0.0046	0.0465	0.3456
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0046	0.0465	1
Trypanosoma cruzi	heat shock protein 85, putative	0.0039	0.0265	0.1968
Echinococcus multilocularis	geminin	0.0337	0.9231	1
Echinococcus granulosus	heat shock protein 90	0.0046	0.0465	0.0504
Brugia malayi	hypothetical protein	0.0145	0.3459	0.3459
Entamoeba histolytica	hypothetical protein	0.0145	0.3459	1
Loa Loa (eye worm)	endoplasmin	0.0046	0.0465	0.0465
Plasmodium falciparum	heat shock protein 90	0.0046	0.0465	0.0895
Loa Loa (eye worm)	TAR-binding protein	0.0193	0.4888	0.4888
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0145	0.3459	0.3746
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0193	0.4888	0.4888
Schistosoma mansoni	hypothetical protein	0.0337	0.9231	1
Trypanosoma cruzi	heat shock protein 85, putative	0.0046	0.0465	0.3456
Echinococcus multilocularis	heat shock protein 90	0.0046	0.0465	0.0504
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0064	0.1002	0.1086
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0064	0.1002	0.1086
Leishmania major	heat shock protein 83-1	0.0046	0.0465	0.3456
Brugia malayi	heat shock protein 90	0.0046	0.0465	0.0465
Leishmania major	heat shock protein 83-1	0.0046	0.0465	0.3456
Trypanosoma cruzi	PAB1-binding protein , putative	0.0075	0.1346	1
Echinococcus granulosus	endoplasmin	0.0043	0.038	0.0412
Schistosoma mansoni	heat shock protein	0.0046	0.0465	0.0504
Schistosoma mansoni	endoplasmin	0.0046	0.0465	0.0504
Trypanosoma brucei	heat shock protein, putative	0.0046	0.0465	0.3456
Leishmania major	heat shock protein 83-1	0.0046	0.0465	0.3456
Trypanosoma brucei	heat shock protein, putative	0.0046	0.0465	0.3456
Trypanosoma cruzi	heat shock protein 85, putative	0.0046	0.0465	0.3456
Leishmania major	hypothetical protein, conserved	0.0075	0.1346	1
Leishmania major	lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative	0.0043	0.038	0.2823
Loa Loa (eye worm)	heat shock protein 90	0.0046	0.0465	0.0465
Leishmania major	heat shock protein 83-1	0.0046	0.0465	0.3456
Toxoplasma gondii	LsmAD domain-containing protein	0.0075	0.1346	0.3108
Schistosoma mansoni	endoplasmin	0.0046	0.0465	0.0504
Leishmania major	heat shock protein 83-1	0.0046	0.0465	0.3456
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0064	0.1002	0.2159
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0064	0.1002	1
Trypanosoma brucei	heat shock protein, putative	0.0046	0.0465	0.3456
Trypanosoma cruzi	heat shock protein 85, putative	0.0046	0.0465	0.3456
Leishmania major	heat shock protein 83-1	0.0046	0.0465	0.3456
Trypanosoma brucei	heat shock protein, putative	0.0046	0.0465	0.3456
Toxoplasma gondii	isocitrate dehydrogenase	0.0064	0.1002	0.2314
Leishmania major	heat shock protein 83-1	0.0046	0.0465	0.3456
Entamoeba histolytica	heat shock protein 90, putative	0.0046	0.0465	0.1345
Toxoplasma gondii	isocitrate dehydrogenase	0.0064	0.1002	0.2314
Echinococcus granulosus	geminin	0.0337	0.9231	1
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0064	0.1002	0.2314
Schistosoma mansoni	tar DNA-binding protein	0.0193	0.4888	0.5295
Leishmania major	heat shock protein 83-1	0.0046	0.0465	0.3456
Loa Loa (eye worm)	RNA binding protein	0.0193	0.4888	0.4888
Leishmania major	heat shock protein 83-1	0.0046	0.0465	0.3456
Schistosoma mansoni	hypothetical protein	0.0145	0.3459	0.3746
Trichomonas vaginalis	heat shock protein, putative	0.0043	0.038	0.776
Echinococcus multilocularis	isocitrate dehydrogenase	0.0064	0.1002	0.1086
Entamoeba histolytica	hypothetical protein	0.0145	0.3459	1
Entamoeba histolytica	hypothetical protein	0.0145	0.3459	1
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0064	0.1002	0.1086
Mycobacterium ulcerans	heat shock protein 90	0.0043	0.038	0.5
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0064	0.1002	0.7445
Mycobacterium leprae	PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G)	0.0043	0.038	0.5
Leishmania major	heat shock protein 83-1	0.0046	0.0465	0.3456
Plasmodium vivax	heat shock protein, putative	0.0174	0.4332	1
Plasmodium vivax	heat shock protein 86, putative	0.0046	0.0465	0.1074
Schistosoma mansoni	hypothetical protein	0.0034	0.0096	0.0104
Echinococcus multilocularis	tar DNA binding protein	0.0193	0.4888	0.5295
Brugia malayi	Isocitrate dehydrogenase	0.0064	0.1002	0.1002
Loa Loa (eye worm)	hypothetical protein	0.0075	0.1346	0.1346
Trypanosoma brucei	heat shock protein, putative	0.0046	0.0465	0.3456
Brugia malayi	RNA binding protein	0.0193	0.4888	0.4888
Echinococcus multilocularis	heat shock protein	0.0046	0.0465	0.0504
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0064	0.1002	0.1086
Brugia malayi	RNA recognition motif domain containing protein	0.0193	0.4888	0.4888
Plasmodium falciparum	heat shock protein 90, putative	0.0174	0.4332	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0363	1	1
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0064	0.1002	0.7445
Trypanosoma cruzi	heat shock protein 90, putative	0.0046	0.0465	0.3456
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0064	0.1002	0.1086
Echinococcus granulosus	heat shock protein	0.0046	0.0465	0.0504
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0064	0.1002	0.7445
Leishmania major	heat shock protein 83-1	0.0046	0.0465	0.3456
Schistosoma mansoni	tar DNA-binding protein	0.0193	0.4888	0.5295
Schistosoma mansoni	tar DNA-binding protein	0.0193	0.4888	0.5295
Leishmania major	heat shock protein 83-1	0.0046	0.0465	0.3456
Trichomonas vaginalis	heat shock protein, putative	0.0046	0.0465	1

Activities

Activity type	Activity value	Assay description	Source	Reference
ED50 (functional)	NA 0 mg kg-1	Anticonvulsant activity in mice using MES seizure test;Compound is neurotoxic at 30 mg/kg dose.	ChEMBL.	6620301
ED50 (functional)	NA 0 mg kg-1	Anticonvulsant activity in mice using sc Met seizure test;Compound is neurotoxic at 5 mg/kg.	ChEMBL.	6620301
TD50 (ADMET)	= 1 mg kg-1	Anticonvulsant activity expressed as toxic dose in rotorod test (0.5 hr) in mice	ChEMBL.	6620301
TD50 (ADMET)	= 1 mg kg-1	Anticonvulsant activity expressed as toxic dose in rotorod test (0.5 hr) in mice	ChEMBL.	6620301

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: CHEMBL30747
PubChem: 3070519

Bibliographic References

1 literature reference was collected for this gene.

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

Detailed information for compound 42654