TDR Targets

Basic information

Technical information

TDR Targets ID: 805898
Name: N-[(4-fluorophenyl)methyl]-4-[1-[(3-fluorophe nyl)methyl]-2,4-dioxoquinazolin-3-yl]butanami de
MW: 463.476 | Formula: C26H23F2N3O3
H donors: 1 H acceptors: 3 LogP: 3.6 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: O=C(NCc1ccc(cc1)F)CCCn1c(=O)c2ccccc2n(c1=O)Cc1cccc(c1)F
InChi: 1S/C26H23F2N3O3/c27-20-12-10-18(11-13-20)16-29-24(32)9-4-14-30-25(33)22-7-1-2-8-23(22)31(26(30)34)17-19-5-3-6-21(28)15-19/h1-3,5-8,10-13,15H,4,9,14,16-17H2,(H,29,32)
InChiKey: DKXZKKXSUUAQFK-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-fluorophenyl)methyl]-4-[1-[(3-fluorophenyl)methyl]-2,4-dioxo-quinazolin-3-yl]butanamide
N-[(4-fluorophenyl)methyl]-4-[1-[(3-fluorophenyl)methyl]-2,4-dioxo-3-quinazolinyl]butanamide
N-(4-fluorobenzyl)-4-[1-(3-fluorobenzyl)-2,4-diketo-quinazolin-3-yl]butyramide

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
Brugia malayi	Cathepsin L-like precursor	0.0363	0.8443	0.8263
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0241	0.4683	0.407
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0363	0.8443	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0363	0.8443	1
Onchocerca volvulus		0.0363	0.8443	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0363	0.8443	0.8317
Echinococcus granulosus	cathepsin L	0.0194	0.3257	0.3858
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0363	0.8443	1
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0203	0.3542	0.3775
Trypanosoma cruzi	cysteine peptidase, putative	0.0363	0.8443	0.8317
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0363	0.8443	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0363	0.8443	1
Echinococcus multilocularis	cysteine protease	0.0363	0.8443	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0122	0.1034	0.0308
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0363	0.8443	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0203	0.3542	0.3775
Loa Loa (eye worm)	cysteine protease	0.0363	0.8443	0.8317
Leishmania major	cathepsin L-like protease	0.0363	0.8443	0.8317
Trypanosoma cruzi	cruzipain precursor, putative	0.0363	0.8443	0.8317
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0194	0.3257	0.3261
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0363	0.8443	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0241	0.4683	0.5114
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0363	0.8443	1
Echinococcus granulosus	cathepsin b	0.0203	0.3542	0.4195
Onchocerca volvulus		0.0363	0.8443	1
Onchocerca volvulus		0.0363	0.8443	1
Entamoeba histolytica	cysteine proteinase, putative	0.0241	0.4683	0.275
Plasmodium vivax	unspecified product	0.0194	0.3257	0.3001
Loa Loa (eye worm)	hypothetical protein	0.0211	0.3779	0.3275
Onchocerca volvulus	Cathepsin L homolog	0.0363	0.8443	1
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0194	0.3257	0.2712
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0363	0.8443	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0363	0.8443	0.8317
Echinococcus multilocularis	glutamate (NMDA) receptor subunit	0.0107	0.057	0.0675
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0194	0.3257	0.3261
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0363	0.8443	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0363	0.8443	1
Trypanosoma cruzi	cysteine proteinase, putative	0.0194	0.3257	0.2712
Loa Loa (eye worm)	hypothetical protein	0.0122	0.1034	0.0308
Brugia malayi	cathepsin B-like cysteine proteinase	0.0203	0.3542	0.2797
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0363	0.8443	1
Brugia malayi	Cathepsin L-like precursor	0.0363	0.8443	0.8263
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0363	0.8443	0.8317
Loa Loa (eye worm)	hypothetical protein	0.0241	0.4683	0.4253
Entamoeba histolytica	cysteine protease, putative	0.0363	0.8443	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0241	0.4683	0.5114
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0194	0.3257	0.3414
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0363	0.8443	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0241	0.4683	0.5225
Trypanosoma cruzi	cysteine peptidase, putative	0.0363	0.8443	0.8317
Leishmania major	cathepsin L-like protease	0.0363	0.8443	0.8317
Giardia lamblia	Cathepsin B precursor	0.0113	0.0749	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0363	0.8443	0.8317
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0194	0.3257	0.3414
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0363	0.8443	1
Echinococcus multilocularis	cathepsin L	0.0194	0.3257	0.3858
Onchocerca volvulus	Cathepsin L homolog	0.0363	0.8443	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0363	0.8443	0.8317
Echinococcus multilocularis	cysteine protease	0.0363	0.8443	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0363	0.8443	0.8317
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0363	0.8443	1
Loa Loa (eye worm)	fibroinase	0.0363	0.8443	0.8317
Brugia malayi	Cathepsin L-like precursor	0.0363	0.8443	0.8263
Loa Loa (eye worm)	hypothetical protein	0.0122	0.1034	0.0308
Echinococcus multilocularis	cathepsin L cysteine protease	0.0363	0.8443	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0363	0.8443	1
Loa Loa (eye worm)	hypothetical protein	0.0122	0.1034	0.0308
Echinococcus granulosus	cysteine protease	0.0194	0.3257	0.3858
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0241	0.4683	0.4253
Entamoeba histolytica	cysteine proteinase, putative	0.0363	0.8443	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0194	0.3257	0.2712
Leishmania major	cathepsin L-like protease	0.0363	0.8443	0.8317
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0363	0.8443	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0363	0.8443	0.8317
Onchocerca volvulus		0.0363	0.8443	1
Giardia lamblia	Cathepsin B precursor	0.0113	0.0749	0.5
Giardia lamblia	Cathepsin B precursor	0.0113	0.0749	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0363	0.8443	1
Leishmania major	cathepsin L-like protease	0.0363	0.8443	0.8317
Leishmania major	cathepsin L-like protease	0.0363	0.8443	0.8317
Echinococcus granulosus	nmda type glutamate receptor	0.0105	0.0513	0.0608
Trypanosoma cruzi	C-8 sterol isomerase, putative	0.0413	1	1
Loa Loa (eye worm)	hypothetical protein	0.0241	0.4683	0.4253
Plasmodium vivax	vivapain-3	0.0194	0.3257	0.3001
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0363	0.8443	1
Loa Loa (eye worm)	hypothetical protein	0.0241	0.4683	0.4253
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0194	0.3257	0.2712
Schistosoma mansoni	glutamate receptor NMDA	0.0142	0.165	0.1373
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0363	0.8443	0.8317
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0363	0.8443	1
Loa Loa (eye worm)	hypothetical protein	0.0413	1	1
Brugia malayi	Cathepsin L-like precursor	0.0363	0.8443	0.8263
Brugia malayi	Cathepsin L-like precursor	0.0241	0.4683	0.407
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0363	0.8443	0.8317
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0363	0.8443	1
Entamoeba histolytica	cysteine proteinase, putative	0.0363	0.8443	1
Onchocerca volvulus		0.0363	0.8443	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0122	0.1034	0.0308
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0363	0.8443	1
Brugia malayi	cathepsin L-like precursor	0.0241	0.4683	0.407
Schistosoma mansoni	cathepsin s	0.0122	0.1034	0.059
Loa Loa (eye worm)	hypothetical protein	0.0363	0.8443	0.8317
Brugia malayi	Cathepsin L-like precursor	0.0241	0.4683	0.407
Echinococcus multilocularis	cathepsin L cysteine protease	0.0363	0.8443	1
Brugia malayi	Papain family cysteine protease containing protein	0.0194	0.3257	0.248
Loa Loa (eye worm)	ctsf protein	0.0363	0.8443	0.8317
Trypanosoma cruzi	cysteine proteinase, putative	0.0194	0.3257	0.2712
Echinococcus granulosus	cathepsin L cysteine protease	0.0194	0.3257	0.3858
Brugia malayi	Cathepsin L-like precursor	0.0363	0.8443	0.8263
Echinococcus multilocularis	nmda type glutamate receptor	0.0097	0.0263	0.0312
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0363	0.8443	0.8317
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0363	0.8443	1
Onchocerca volvulus		0.0363	0.8443	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0363	0.8443	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0363	0.8443	1
Echinococcus granulosus	cathepsin b	0.0203	0.3542	0.4195
Leishmania major	C-8 sterol isomerase-like protein	0.0413	1	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0363	0.8443	0.8317
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0363	0.8443	0.8317
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0194	0.3257	0.3414
Trypanosoma cruzi	cysteine peptidase, putative	0.0194	0.3257	0.2712
Trypanosoma brucei	C-8 sterol isomerase, putative	0.0413	1	1
Toxoplasma gondii	cathepsin CPL	0.0363	0.8443	1
Echinococcus multilocularis	cathepsin b	0.0203	0.3542	0.4195
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0363	0.8443	1
Plasmodium vivax	vivapain-2	0.0363	0.8443	1
Echinococcus granulosus	glutamate NMDA receptor subunit	0.0107	0.057	0.0675
Trypanosoma cruzi	cysteine protease, putative	0.0194	0.3257	0.2712
Leishmania major	cathepsin L-like protease	0.0363	0.8443	0.8317
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0363	0.8443	1
Leishmania major	cathepsin L-like protease	0.0363	0.8443	0.8317
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0113	0.0749	0.0228
Onchocerca volvulus		0.0363	0.8443	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0203	0.3542	0.3775
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0203	0.3542	0.3775
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0363	0.8443	1
Plasmodium vivax	vivapain-2	0.0363	0.8443	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0363	0.8443	1
Echinococcus multilocularis	cathepsin b	0.0203	0.3542	0.4195
Echinococcus granulosus	cathepsin l1	0.0363	0.8443	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0363	0.8443	1
Brugia malayi	Cathepsin L-like precursor	0.0363	0.8443	0.8263
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0363	0.8443	1
Brugia malayi	Papain family cysteine protease containing protein	0.0194	0.3257	0.248
Echinococcus multilocularis	nmda type glutamate receptor	0.0105	0.0513	0.0608
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0363	0.8443	0.8317
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0363	0.8443	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0363	0.8443	0.8317
Loa Loa (eye worm)	hypothetical protein	0.0203	0.3542	0.3019
Brugia malayi	Papain family cysteine protease containing protein	0.0363	0.8443	0.8263
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0363	0.8443	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0203	0.3542	0.3019
Trypanosoma cruzi	cysteine peptidase, putative	0.0363	0.8443	0.8317
Echinococcus granulosus	cathepsin l1	0.0241	0.4683	0.5547
Leishmania major	cysteine peptidase A (CPA)	0.0363	0.8443	0.8317
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0122	0.1034	0.0308
Plasmodium vivax	vivapain-1	0.0194	0.3257	0.3001
Leishmania major	cathepsin L-like protease	0.0363	0.8443	0.8317
Onchocerca volvulus	Cathepsin F homolog	0.0363	0.8443	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0363	0.8443	1
Echinococcus granulosus	nmda type glutamate receptor	0.0097	0.0263	0.0312

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 805898