TDR Targets

Basic information

Technical information

TDR Targets ID: 570131
Name: N-(4-chlorophenyl)-4-(2-furyl)-6-methyl-2-oxo -3,4-dihydro-1H-pyrimidine-5-carboxamide
MW: 331.754 | Formula: C16H14ClN3O3
H donors: 3 H acceptors: 2 LogP: 1.72 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: O=C1NC(=C(C(N1)c1ccco1)C(=O)Nc1ccc(cc1)Cl)C
InChi: 1S/C16H14ClN3O3/c1-9-13(15(21)19-11-6-4-10(17)5-7-11)14(20-16(22)18-9)12-3-2-8-23-12/h2-8,14H,1H3,(H,19,21)(H2,18,20,22)
InChiKey: LLPPMWZIDTUGLO-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-(4-chlorophenyl)-4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
N-(4-chlorophenyl)-4-(2-furyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
N-(4-chlorophenyl)-4-furan-2-yl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
ST061885
Oprea1_808012
Oprea1_850709
BAS 01509834
4-Furan-2-yl-6-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid (4-chloro-phenyl)-amide
MLS000034297
SMR000010592

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references
Homo sapiens	euchromatic histone-lysine N-methyltransferase 2	Starlite/ChEMBL	No references
Homo sapiens	glutaminase	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
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
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)	glutaminase	Get druggable targets OG5_129245	All targets in OG5_129245
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
Trichomonas vaginalis	glutaminase, putative	Get druggable targets OG5_129245	All targets in OG5_129245
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	glutaminase	Get druggable targets OG5_129245	All targets in OG5_129245
Mycobacterium ulcerans	glutaminase	Get druggable targets OG5_129245	All targets in OG5_129245
Brugia malayi	Pre-SET motif family protein	Get druggable targets OG5_131470	All targets in OG5_131470
Loa Loa (eye worm)	glutaminase 2	Get druggable targets OG5_129245	All targets in OG5_129245
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	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
Brugia malayi	glutaminase DH11.1	Get druggable targets OG5_129245	All targets in OG5_129245
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	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
Trichomonas vaginalis	set domain proteins, putative	Get druggable targets OG5_131470	All targets in OG5_131470
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	Get druggable targets OG5_131470	All targets in OG5_131470
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Onchocerca volvulus		Get druggable targets OG5_131470	All targets in OG5_131470

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
Onchocerca volvulus		0.0122	0.2845	0.191
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0122	0.2845	0.606
Onchocerca volvulus		0.0122	0.2845	0.191
Toxoplasma gondii	cathepsin CPL	0.0122	0.2845	1
Echinococcus granulosus	cysteine protease	0.0065	0.0891	0.0869
Echinococcus multilocularis	cathepsin L cysteine protease	0.0122	0.2845	0.606
Echinococcus multilocularis	cathepsin b	0.0165	0.4328	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0122	0.2845	0.2145
Leishmania major	cathepsin L-like protease	0.0122	0.2845	1
Loa Loa (eye worm)	hypothetical protein	0.0122	0.2845	0.2845
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0122	0.2845	1
Echinococcus multilocularis	cathepsin L	0.0065	0.0891	0.0869
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0122	0.2845	1
Brugia malayi	Cathepsin L-like precursor	0.0122	0.2845	0.2845
Onchocerca volvulus		0.0286	0.8487	1
Onchocerca volvulus		0.0122	0.2845	0.191
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0122	0.2845	1
Brugia malayi	Papain family cysteine protease containing protein	0.0065	0.0891	0.0891
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0122	0.2845	0.2145
Trichomonas vaginalis	set domain proteins, putative	0.0286	0.8487	0.8339
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0065	0.0891	0.0891
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0122	0.2845	0.2145
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0069	0.1034	0.2389
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0122	0.2845	0.2145
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0122	0.2845	0.2145
Plasmodium vivax	vivapain-3	0.0065	0.0891	0.3132
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0122	0.2845	0.2145
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0083	0.1513	0.3495
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0122	0.2845	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0165	0.4328	1
Loa Loa (eye worm)	ctsf protein	0.0122	0.2845	0.2845
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.0564	0.0564
Brugia malayi	Pre-SET motif family protein	0.0251	0.7295	0.7295
Echinococcus granulosus	cathepsin L cysteine protease	0.0065	0.0891	0.0869
Schistosoma mansoni	cathepsin F (C01 family)	0.0122	0.2845	0.2845
Loa Loa (eye worm)	glutaminase	0.033	1	1
Trypanosoma cruzi	cysteine proteinase, putative	0.0065	0.0891	0.2059
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0069	0.1034	0.1034
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0122	0.2845	0.2145
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0165	0.4328	0.4328
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0122	0.2845	0.2145
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0564	0.0564
Onchocerca volvulus		0.0122	0.2845	0.191
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0122	0.2845	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0564	0.0564
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0122	0.2845	0.2145
Loa Loa (eye worm)	hypothetical protein	0.0083	0.1513	0.1513
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0122	0.2845	0.2145
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0083	0.1513	0.0682
Brugia malayi	Cathepsin L-like precursor	0.0122	0.2845	0.2845
Loa Loa (eye worm)	hypothetical protein	0.0165	0.4328	0.4328
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0122	0.2845	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0122	0.2845	0.2145
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0122	0.2845	0.2145
Plasmodium vivax	vivapain-2	0.0122	0.2845	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0122	0.2845	0.606
Trypanosoma cruzi	cysteine peptidase, putative	0.0122	0.2845	0.6573
Leishmania major	cathepsin L-like protease	0.0122	0.2845	1
Plasmodium vivax	vivapain-1	0.0065	0.0891	0.3132
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0251	0.7295	0.7295
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0065	0.0891	0.0891
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0122	0.2845	0.606
Entamoeba histolytica	cysteine proteinase, putative	0.0122	0.2845	1
Echinococcus granulosus	cathepsin l1	0.0122	0.2845	0.606
Leishmania major	cathepsin L-like protease	0.0122	0.2845	1
Brugia malayi	cathepsin B-like cysteine proteinase	0.0165	0.4328	0.4328
Brugia malayi	Cathepsin L-like precursor	0.0122	0.2845	0.2845
Entamoeba histolytica	cysteine proteinase, putative	0.0083	0.1513	0.3182
Onchocerca volvulus		0.0122	0.2845	0.191
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.0564	0.0564
Giardia lamblia	Cathepsin B precursor	0.0069	0.1034	0.5
Trypanosoma cruzi	cysteine peptidase, putative	0.0122	0.2845	0.6573
Loa Loa (eye worm)	hypothetical protein	0.0083	0.1513	0.1513
Leishmania major	cathepsin L-like protease	0.0122	0.2845	1
Loa Loa (eye worm)	cathepsin B	0.0069	0.1034	0.1034
Echinococcus multilocularis	cathepsin b	0.0165	0.4328	1
Leishmania major	cathepsin L-like protease	0.0122	0.2845	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0065	0.0891	0.0891
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0122	0.2845	1
Loa Loa (eye worm)	cysteine protease	0.0122	0.2845	0.2845
Echinococcus granulosus	cathepsin b	0.0165	0.4328	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0083	0.1513	0.1513
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0564	0.0564
Trypanosoma cruzi	cysteine peptidase, putative	0.0065	0.0891	0.2059
Trypanosoma cruzi	cysteine peptidase, putative	0.0122	0.2845	0.6573
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0065	0.0891	0.2059
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0069	0.1034	0.0731
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0122	0.2845	0.2145
Echinococcus multilocularis	cysteine protease	0.0122	0.2845	0.606
Brugia malayi	Cathepsin L-like precursor	0.0122	0.2845	0.2845
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0122	0.2845	0.2145
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0122	0.2845	0.2145
Trypanosoma cruzi	cruzipain precursor, putative	0.0122	0.2845	0.6573
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0122	0.2845	1
Onchocerca volvulus	Cathepsin F homolog	0.0122	0.2845	0.191
Plasmodium vivax	vivapain-2	0.0122	0.2845	1
Trichomonas vaginalis	glutaminase, putative	0.033	1	1
Entamoeba histolytica	cysteine protease, putative	0.0122	0.2845	1
Brugia malayi	Cathepsin L-like precursor	0.0122	0.2845	0.2845
Trypanosoma cruzi	cysteine proteinase, putative	0.0065	0.0891	0.2059
Brugia malayi	glutaminase DH11.1	0.033	1	1
Leishmania major	cathepsin L-like protease	0.0122	0.2845	1
Brugia malayi	Cathepsin L-like precursor	0.0083	0.1513	0.1513
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0165	0.4328	0.4328
Trypanosoma cruzi	cysteine protease, putative	0.0065	0.0891	0.2059
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0122	0.2845	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0165	0.4328	0.4328
Loa Loa (eye worm)	hypothetical protein	0.0083	0.1513	0.1513
Entamoeba histolytica	cysteine proteinase, putative	0.0122	0.2845	1
Giardia lamblia	Cathepsin B precursor	0.0069	0.1034	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0122	0.2845	1
Echinococcus multilocularis	cysteine protease	0.0122	0.2845	0.606
Brugia malayi	Papain family cysteine protease containing protein	0.0065	0.0891	0.0891
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0122	0.2845	0.2145
Schistosoma mansoni	glutaminase	0.033	1	1
Plasmodium vivax	unspecified product	0.0065	0.0891	0.3132
Mycobacterium ulcerans	glutaminase	0.033	1	0.5
Echinococcus granulosus	cathepsin L	0.0065	0.0891	0.0869
Leishmania major	cysteine peptidase A (CPA)	0.0122	0.2845	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0165	0.4328	0.4328
Onchocerca volvulus	Cathepsin L homolog	0.0122	0.2845	0.191
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0083	0.1513	0.0682
Brugia malayi	Cathepsin L-like precursor	0.0083	0.1513	0.1513
Giardia lamblia	Cathepsin B precursor	0.0069	0.1034	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0122	0.2845	0.2145
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0122	0.2845	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0122	0.2845	0.2145
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0122	0.2845	0.2845
Leishmania major	cathepsin L-like protease	0.0122	0.2845	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0122	0.2845	0.2145
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0122	0.2845	0.2145
Echinococcus granulosus	cathepsin b	0.0165	0.4328	1
Brugia malayi	Cathepsin L-like precursor	0.0122	0.2845	0.2845
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0122	0.2845	0.2145
Onchocerca volvulus	Cathepsin L homolog	0.0122	0.2845	0.191
Schistosoma mansoni	cathepsin F (C01 family)	0.0083	0.1513	0.1513
Echinococcus granulosus	cathepsin l1	0.0083	0.1513	0.252
Leishmania major	cathepsin L-like protease	0.0122	0.2845	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0122	0.2845	0.2845
Onchocerca volvulus		0.0122	0.2845	0.191
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0122	0.2845	0.2145
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0122	0.2845	0.2845
Brugia malayi	cathepsin L-like precursor	0.0083	0.1513	0.1513
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0122	0.2845	0.606
Trypanosoma cruzi	cysteine peptidase, putative	0.0122	0.2845	0.6573
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0122	0.2845	0.2145
Onchocerca volvulus		0.0122	0.2845	0.191
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0122	0.2845	0.2145
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0122	0.2845	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0122	0.2845	0.606
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0122	0.2845	1
Loa Loa (eye worm)	fibroinase	0.0122	0.2845	0.2845
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0122	0.2845	1
Brugia malayi	Papain family cysteine protease containing protein	0.0122	0.2845	0.2845
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0069	0.1034	0.0157
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0122	0.2845	0.2145

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.7079 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference
Potency (functional)	4.4668 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)	17.7828 uM	PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory)	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

Search by CAS
ChEMBL: CHEMBL1732981
PubChem: 645758

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 570131