TDR Targets

Basic information

Technical information

TDR Targets ID: 420379
Name: 3-(3-fluorophenyl)-2,4-dioxo-N-(2-piperidin-1 -ylethyl)-1H-quinazoline-7-carboxamide
MW: 410.441 | Formula: C22H23FN4O3
H donors: 2 H acceptors: 3 LogP: 2.45 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: Fc1cccc(c1)n1c(=O)[nH]c2c(c1=O)ccc(c2)C(=O)NCCN1CCCCC1
InChi: 1S/C22H23FN4O3/c23-16-5-4-6-17(14-16)27-21(29)18-8-7-15(13-19(18)25-22(27)30)20(28)24-9-12-26-10-2-1-3-11-26/h4-8,13-14H,1-3,9-12H2,(H,24,28)(H,25,30)
InChiKey: IFJZXCBRSHUCQF-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-(3-fluorophenyl)-2,4-dioxo-N-[2-(1-piperidyl)ethyl]-1H-quinazoline-7-carboxamide
3-(3-fluorophenyl)-2,4-diketo-N-(2-piperidinoethyl)-1H-quinazoline-7-carboxamide

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 falciparum	protein farnesyltransferase subunit alpha	1.0985	0.8572	1
Trichomonas vaginalis	protein phosphatase 2C, putative	0.0137	0.0095	0.0092
Entamoeba histolytica	leucine rich repeat / protein phosphatase 2C domain containing protein	0.0137	0.0095	0.0046
Entamoeba histolytica	geranylgeranyl transferase beta subunit	1.2813	1	1
Plasmodium falciparum	geranylgeranyl transferase type2 beta subunit, putative	0.3257	0.2533	0.295
Giardia lamblia	Prenyltransferase	0.7407	0.5776	0.552
Brugia malayi	Protein prenyltransferase alpha subunit repeat containing protein	0.2997	0.233	0.2325
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0071	0.0044	0.2076
Trichomonas vaginalis	protein farnesyltransferase alpha subunit, putative	0.2997	0.233	0.2328
Entamoeba histolytica	Rab geranylgeranyltransferase beta subunit, putative	0.3257	0.2533	0.2496
Trypanosoma brucei	geranylgeranyl transferase type II beta subunit, putative	0.3257	0.2533	0.4337
Onchocerca volvulus		0.2997	0.233	1
Echinococcus granulosus	protein farnesyltransferase subunit beta	0.7407	0.5776	0.5773
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0078	0.0049	0.0043
Leishmania major	protein farnesyltransferase alpha subunit, putative	0.2997	0.233	0.4017
Mycobacterium tuberculosis	Probable bifunctional purine biosynthesis protein PurH: phosphoribosylaminoimidazolecarboxamide formyltransferase (AICAR transfo	0.0286	0.0211	0.0733
Leishmania major	lanosterol synthase, putative	0.0448	0.0338	0.0557
Plasmodium falciparum	protein farnesyltransferase subunit beta	0.7407	0.5776	0.6736
Entamoeba histolytica	Rab geranylgeranyltransferase alpha subunit, putative	0.2997	0.233	0.2292
Echinococcus multilocularis	transcription factor Dp 1	0.0045	0.0023	0.0017
Trypanosoma cruzi	Protein prenyltransferase alpha subunit repeat, putative	0.2997	0.233	0.3983
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0078	0.0049	0.0043
Plasmodium falciparum	geranylgeranyltransferase, putative	0.3257	0.2533	0.295
Trypanosoma brucei	Protein prenyltransferase alpha subunit repeat, putative	0.2997	0.233	0.3983
Schistosoma mansoni	geranylgeranyl transferase type II beta subunit	0.3257	0.2533	0.2528
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0071	0.0044	0.0152
Plasmodium vivax	carbamoyl phosphate synthetase, putative	0.0037	0.0017	0.0013
Trichomonas vaginalis	protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative	1.0985	0.8572	0.8571
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0071	0.0044	0.2076
Entamoeba histolytica	protein farnesyltransferase beta subunit, putative	0.7407	0.5776	0.5755
Plasmodium vivax	farnesyltransferase beta subunit, putative	0.7407	0.5776	0.6736
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0071	0.0044	0.0038
Trichomonas vaginalis	protein phosphatase 2C delta isoform, putative	0.0137	0.0095	0.0092
Loa Loa (eye worm)	hypothetical protein	1.0985	0.8572	0.8571
Trichomonas vaginalis	geranylgeranyl transferase type II beta subunit, putative	0.7407	0.5776	0.5774
Loa Loa (eye worm)	hypothetical protein	0.0137	0.0095	0.0089
Schistosoma mansoni	lipoxygenase	0.0065	0.0039	0.0033
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.2997	0.233	0.2325
Trypanosoma cruzi	protein farnesyltransferase alpha subunit, putative	0.2997	0.233	0.3983
Plasmodium vivax	prenyltransferase alpha subunit, putative	1.0985	0.8572	1
Wolbachia endosymbiont of Brugia malayi	AICAR transformylase/IMP cyclohydrolase PurH	0.0286	0.0211	1
Trichomonas vaginalis	protein farnesyltransferase beta subunit, putative	0.3257	0.2533	0.2531
Schistosoma mansoni	aldehyde dehydrogenase	0.0071	0.0044	0.0038
Loa Loa (eye worm)	prenyltransferase alpha subunit repeat containing protein	0.2997	0.233	0.2325
Loa Loa (eye worm)	hypothetical protein	0.3257	0.2533	0.2528
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0071	0.0044	0.0038
Mycobacterium ulcerans	carbamoyl phosphate synthase large subunit	0.0037	0.0017	0.0807
Giardia lamblia	Rab geranylgeranyltransferase	1.0985	0.8572	1
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0078	0.0049	0.0043
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0068	0.0041	0.0041
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0068	0.0041	0.193
Schistosoma mansoni	aldehyde dehydrogenase	0.0071	0.0044	0.0038
Echinococcus multilocularis	protein farnesyltransferase subunit beta	0.7407	0.5776	0.5773
Echinococcus multilocularis	Rab geranylgeranyltransferase, beta subunit	0.3257	0.2533	0.2528
Trypanosoma brucei	hypothetical protein, conserved	0.2997	0.233	0.3983
Trypanosoma brucei	Protein prenyltransferase alpha subunit repeat, putative	0.2997	0.233	0.3983
Trichomonas vaginalis	geranylgeranyl transferase type beta subunit, putative	0.7407	0.5776	0.5774
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0071	0.0044	0.0047
Trypanosoma cruzi	hypothetical protein, conserved	0.2997	0.233	0.3983
Brugia malayi	Protein prenyltransferase alpha subunit repeat containing protein	1.0985	0.8572	0.8571
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0063	0.0037	0.0031
Trichomonas vaginalis	type I geranylgeranyltransferase beta subunit, putative	0.7407	0.5776	0.5774
Mycobacterium leprae	Probable bifunctional purine biosynthesis protein PurH : phosphoribosylaminoimidazolecarboxamide formyltransferase (aicar transf	0.0286	0.0211	0.5
Plasmodium vivax	geranylgeranyltransferase, putative	0.3257	0.2533	0.295
Trichomonas vaginalis	geranylgeranyl transferase type II beta subunit, putative	0.7407	0.5776	0.5774
Mycobacterium ulcerans	bifunctional phosphoribosylaminoimidazolecarboxamide formyltransferase/IMP cyclohydrolase	0.0286	0.0211	1
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0068	0.0041	0.0035
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0065	0.0039	0.0033
Plasmodium vivax	protein prenyltransferase alpha subunit, putative	0.2997	0.233	0.2713
Echinococcus granulosus	protein farnesyltransferase alpha subunit	1.0985	0.8572	0.8571
Giardia lamblia	Rab geranylgeranyltransferase	0.3257	0.2533	0.0325
Trypanosoma brucei	protein farnesyltransferase alpha subunit, putative	0.2997	0.233	0.3983
Schistosoma mansoni	aspartate carbamoyltransferase	0.0037	0.0017	0.0011
Toxoplasma gondii	prenyltransferase and squalene oxidase repeat-containing protein	0.7407	0.5776	0.9269
Trichomonas vaginalis	protein farnesyltransferase alpha subunit, putative	1.0985	0.8572	0.8571
Echinococcus multilocularis	protein farnesyltransferase alpha subunit	1.0985	0.8572	0.8571
Trypanosoma brucei	protein farnesyltransferase beta subunit	0.7407	0.5776	1
Trypanosoma cruzi	lanosterol synthase, putative	0.3704	0.2883	0.4948
Echinococcus multilocularis	geranylgeranyl transferase type I beta subunit	1.2813	1	1
Echinococcus granulosus	protein prenyltransferase alpha subunit	0.2997	0.233	0.2325
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0078	0.0049	0.0055
Toxoplasma gondii	prenyltransferase and squalene oxidase repeat-containing protein	0.3257	0.2533	0.4049
Brugia malayi	Probable protein farnesyltransferase beta subunit, putative	0.3257	0.2533	0.2528
Trichomonas vaginalis	geranylgeranyl transferase type I beta subunit, putative	0.7407	0.5776	0.5774
Trypanosoma cruzi	hypothetical protein, conserved	0.2997	0.233	0.3983
Schistosoma mansoni	geranylgeranyl transferase type I beta subunit	1.2813	1	1
Loa Loa (eye worm)	prenyltransferase and squalene oxidase repeat family protein	0.7407	0.5776	0.5773
Plasmodium falciparum	geranylgeranyl transferase type-2 subunit alpha, putative	0.2997	0.233	0.2713
Trichomonas vaginalis	geranylgeranyl transferase type II beta subunit, putative	0.7407	0.5776	0.5774
Mycobacterium tuberculosis	Halimadienyl diphosphate synthase	0.3704	0.2883	1
Schistosoma mansoni	protein farnesyltransferase alpha subunit	1.0985	0.8572	0.8571
Schistosoma mansoni	geranylgeranyl transferase type I beta subunit	1.2813	1	1
Trichomonas vaginalis	geranylgeranyl transferase type I beta subunit, putative	1.2813	1	1
Toxoplasma gondii	Rab geranylgeranyl transferase type II beta subunit, putative	0.3257	0.2533	0.4049
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0068	0.0041	0.0141
Wolbachia endosymbiont of Brugia malayi	carbamoyl phosphate synthase large subunit	0.0037	0.0017	0.0679
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0068	0.0041	0.0035
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0078	0.0049	0.0043
Trichomonas vaginalis	protein farnesyltransferase alpha subunit, putative	1.0985	0.8572	0.8571
Entamoeba histolytica	protein farnesyltransferase alpha subunit, putative	1.0985	0.8572	0.8565
Echinococcus multilocularis	protein prenyltransferase alpha subunit	0.2997	0.233	0.2325
Toxoplasma gondii	hypothetical protein	0.2997	0.233	0.3723
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0068	0.0041	0.0035
Echinococcus granulosus	transcription factor Dp 1	0.0045	0.0023	0.0017
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0078	0.0049	0.0043
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0068	0.0041	0.193
Trypanosoma cruzi	protein farnesyltransferase, putative	0.7407	0.5776	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0071	0.0044	0.2076
Toxoplasma gondii	aldehyde dehydrogenase	0.0071	0.0044	0.0043
Schistosoma mansoni	protein farnesyltransferase subunit beta	0.7407	0.5776	0.5773
Trypanosoma cruzi	protein farnesyltransferase alpha subunit, putative	0.2997	0.233	0.3983
Plasmodium vivax	conserved Plasmodium protein, unknown function	0.415	0.3231	0.3765
Trichomonas vaginalis	protein phosphatase type 2C, putative	0.0137	0.0095	0.0092
Echinococcus granulosus	geranylgeranyl transferase type 2 subunit alpha	0.2997	0.233	0.2325
Leishmania major	geranylgeranyltransferase, putative	0.3257	0.2533	0.4369
Trypanosoma brucei	lanosterol synthase	0.3704	0.2883	0.4948
Brugia malayi	Prenyltransferase and squalene oxidase repeat family protein	0.7407	0.5776	0.5773
Echinococcus multilocularis	geranylgeranyl transferase type 2 subunit alpha	0.2997	0.233	0.2325
Trypanosoma cruzi	lanosterol synthase, putative	0.3704	0.2883	0.4948
Loa Loa (eye worm)	prenyltransferase alpha subunit repeat containing protein	1.0985	0.8572	0.8571
Trypanosoma cruzi	geranylgeranyl transferase type II beta subunit, putative	0.3257	0.2533	0.4337
Loa Loa (eye worm)	prenyltransferase and squalene oxidase repeat family protein	1.2813	1	1
Leishmania major	farnesyltransferase beta subunit	0.7407	0.5776	1
Trypanosoma cruzi	hypothetical protein, conserved	0.3257	0.2533	0.4337
Trypanosoma cruzi	protein farnesyltransferase, putative	0.7407	0.5776	1
Toxoplasma gondii	hypothetical protein	0.7988	0.623	1
Trichomonas vaginalis	protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative	0.7988	0.623	0.6229
Plasmodium falciparum	carbamoyl phosphate synthetase	0.0037	0.0017	0.0013
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0065	0.0039	0.0033
Echinococcus granulosus	geranylgeranyl transferase type I beta subunit	1.2813	1	1
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0068	0.0041	0.0035
Loa Loa (eye worm)	hypothetical protein	0.3257	0.2533	0.2528
Plasmodium vivax	geranylgeranyl transferase type2 beta subunit, putative	0.3257	0.2533	0.295
Trichomonas vaginalis	protein farnesyltransferase beta subunit, putative	0.3257	0.2533	0.2531
Trypanosoma cruzi	hypothetical protein, conserved	0.3257	0.2533	0.4337

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (binding)	= 3.4 %	Inhibition of T-type calcium channel Cav3.1 with alpha1G subunit expressed in HEK293 cells at 100 uM by FDSS6000 assay	ChEMBL.	17035033
Inhibition (binding)	= 3.4 %	Inhibition of T-type calcium channel Cav3.1 with alpha1G subunit expressed in HEK293 cells at 100 uM by FDSS6000 assay	ChEMBL.	17035033

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

PubChem: 24804734

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 420379