TDR Targets

Basic information

Technical information

TDR Targets ID: 719322
Name: 1-[1-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-y l]-4-piperidin-1-ylpiperidine-4-carboxamide
MW: 402.462 | Formula: C21H27FN4O3
H donors: 1 H acceptors: 3 LogP: 1.15 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Fc1cccc(c1)N1C(=O)CC(C1=O)N1CCC(CC1)(C(=O)N)N1CCCCC1
InChi: 1S/C21H27FN4O3/c22-15-5-4-6-16(13-15)26-18(27)14-17(19(26)28)24-11-7-21(8-12-24,20(23)29)25-9-2-1-3-10-25/h4-6,13,17H,1-3,7-12,14H2,(H2,23,29)
InChiKey: QZIKMTSBJFAIGO-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

1-[1-(3-fluorophenyl)-2,5-dioxo-pyrrolidin-3-yl]-4-(1-piperidyl)piperidine-4-carboxamide
1-[1-(3-fluorophenyl)-2,5-dioxo-3-pyrrolidinyl]-4-(1-piperidyl)-4-piperidinecarboxamide
1-[1-(3-fluorophenyl)-2,5-diketo-pyrrolidin-3-yl]-4-piperidino-isonipecotamide
1-[1-(3-fluorophenyl)-2,5-dioxo-pyrrolidin-3-yl]-4-piperidin-1-yl-piperidine-4-carboxamide
A3400/0144183

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
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0348	0.0466
Brugia malayi	beta-lactamase	0.0043	0.0143	0.0191
Brugia malayi	Carboxylesterase family protein	0.0207	0.1156	0.1548
Echinococcus multilocularis	carboxylesterase 5A	0.1224	0.7466	0.7466
Brugia malayi	RNA binding protein	0.0076	0.0348	0.0466
Entamoeba histolytica	hypothetical protein	0.0035	0.009	1
Schistosoma mansoni	gliotactin	0.0207	0.1156	0.1548
Toxoplasma gondii	hypothetical protein	0.0052	0.0196	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0143	0.1235
Entamoeba histolytica	hypothetical protein	0.0035	0.009	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0016	0.0022
Plasmodium falciparum	plasmepsin X	0.002	0	0.5
Leishmania major	hypothetical protein, conserved	0.0043	0.0143	0.0681
Mycobacterium tuberculosis	Probable lipase LipE	0.0043	0.0143	0.0801
Toxoplasma gondii	ABC1 family protein	0.0043	0.0143	0.7285
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0207	0.1156	0.7216
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0045	0.0155	0.0068
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0045	0.0155	0.0068
Plasmodium falciparum	plasmepsin V	0.002	0	0.5
Mycobacterium leprae	conserved hypothetical protein	0.0043	0.0143	1
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0043	0.0143	0.0801
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0043	0.0143	0.0191
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0143	0.0801
Schistosoma mansoni	BC026374 protein (S09 family)	0.0207	0.1156	0.1548
Entamoeba histolytica	hypothetical protein	0.0035	0.009	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0207	0.1156	0.1548
Echinococcus granulosus	tar DNA binding protein	0.0076	0.0348	0.0466
Echinococcus multilocularis	acetylcholinesterase	0.1224	0.7466	0.7466
Brugia malayi	Carboxylesterase family protein	0.1224	0.7466	1
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0207	0.1156	0.1548
Brugia malayi	beta-lactamase family protein	0.0043	0.0143	0.0191
Plasmodium falciparum	plasmepsin IX	0.002	0	0.5
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0207	0.1156	1
Mycobacterium ulcerans	hypothetical protein	0.0043	0.0143	0.111
Schistosoma mansoni	acetylcholinesterase	0.0207	0.1156	0.1548
Brugia malayi	MH2 domain containing protein	0.0144	0.0767	0.1028
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0143	0.0191
Onchocerca volvulus		0.0207	0.1156	1
Brugia malayi	TAR-binding protein	0.0076	0.0348	0.0466
Schistosoma mansoni	memapsin-2 (A01 family)	0.0509	0.3031	0.406
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.0767	0.1028
Brugia malayi	RNA recognition motif domain containing protein	0.0076	0.0348	0.0466
Onchocerca volvulus		0.0043	0.0143	0.1235
Onchocerca volvulus		0.0043	0.0143	0.1235
Echinococcus granulosus	neuroligin	0.0207	0.1156	0.1548
Loa Loa (eye worm)	beta-lactamase	0.0043	0.0143	0.0191
Echinococcus multilocularis	geminin	0.0165	0.0896	0.0896
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0143	0.1235
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0348	0.0466
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0143	0.0191
Echinococcus multilocularis	tar DNA binding protein	0.0076	0.0348	0.0348
Loa Loa (eye worm)	hypothetical protein	0.0207	0.1156	0.1548
Loa Loa (eye worm)	carboxylesterase	0.0207	0.1156	0.1548
Brugia malayi	beta-lactamase family protein	0.0043	0.0143	0.0191
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0143	0.0191
Brugia malayi	Carboxylesterase family protein	0.0207	0.1156	0.1548
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0143	0.1235
Loa Loa (eye worm)	hypothetical protein	0.0207	0.1156	0.1548
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.009	0.0121
Loa Loa (eye worm)	hypothetical protein	0.0207	0.1156	0.1548
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0143	0.0801
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.009	0.0121
Echinococcus granulosus	para nitrobenzyl esterase	0.0207	0.1156	0.1548
Schistosoma mansoni	hypothetical protein	0.0035	0.009	0.0121
Mycobacterium tuberculosis	Probable hydrolase	0.0043	0.0143	0.0801
Echinococcus granulosus	acetylcholinesterase	0.1224	0.7466	1
Plasmodium falciparum	plasmepsin I	0.002	0	0.5
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0207	0.1156	0.7216
Loa Loa (eye worm)	TAR-binding protein	0.0076	0.0348	0.0466
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0016	0.0022
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0143	0.0191
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0016	0.0022
Entamoeba histolytica	hypothetical protein	0.0035	0.009	1
Plasmodium falciparum	plasmepsin VIII, putative	0.002	0	0.5
Mycobacterium ulcerans	esterase/lipase LipP	0.0043	0.0143	0.111
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0153	0.0821	0.3913
Echinococcus granulosus	geminin	0.0165	0.0896	0.12
Mycobacterium tuberculosis	Conserved hypothetical protein	0.017	0.0928	0.5769
Echinococcus multilocularis	para nitrobenzyl esterase	0.0207	0.1156	0.1156
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0323	0.1875	1
Loa Loa (eye worm)	hypothetical protein	0.0207	0.1156	0.1548
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0043	0.0143	0.0143
Loa Loa (eye worm)	hypothetical protein	0.1224	0.7466	1
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0348	0.0466
Mycobacterium tuberculosis	Probable lipase LipD	0.0043	0.0143	0.0801
Plasmodium falciparum	plasmepsin II	0.002	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0207	0.1156	0.1548
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0143	0.1235
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0207	0.1156	0.1548
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.0767	0.1028
Echinococcus multilocularis	acetylcholinesterase	0.1224	0.7466	0.7466
Trichomonas vaginalis	spcc417.12 protein, putative	0.0207	0.1156	1
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0207	0.1156	0.7216
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0323	0.1875	1
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0207	0.1156	0.1156
Mycobacterium ulcerans	beta-lactamase	0.0043	0.0143	0.111
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0045	0.0155	0.0068
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0143	0.0801
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0207	0.1156	0.1156
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0143	0.0191
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0016	0.0022
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0016	0.0022
Mycobacterium ulcerans	hypothetical protein	0.017	0.0928	0.7995
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.1224	0.7466	1
Echinococcus granulosus	BC026374 protein S09 family	0.0207	0.1156	0.1548
Schistosoma mansoni	hypothetical protein	0.0165	0.0896	0.12
Mycobacterium ulcerans	lipase LipD	0.0043	0.0143	0.111
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0143	0.0191
Onchocerca volvulus		0.0207	0.1156	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0207	0.1156	0.1548
Loa Loa (eye worm)	acetylcholinesterase 1	0.1224	0.7466	1
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0043	0.0143	0.0801
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0043	0.0143	0.0191
Onchocerca volvulus		0.0207	0.1156	1
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0016	0.0022
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0348	0.0466
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0153	0.0821	0.4327
Brugia malayi	Carboxylesterase family protein	0.1224	0.7466	1
Onchocerca volvulus		0.0023	0.0016	0.0141
Trichomonas vaginalis	esterase, putative	0.0043	0.0143	0.1235
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0043	0.0143	0.111
Echinococcus granulosus	carboxylesterase 5A	0.1224	0.7466	1
Mycobacterium ulcerans	carboxylesterase, LipT	0.0207	0.1156	1
Loa Loa (eye worm)	carboxylesterase	0.0207	0.1156	0.1548
Plasmodium falciparum	plasmepsin VI	0.002	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0207	0.1156	0.1548
Brugia malayi	hypothetical protein	0.0035	0.009	0.0121
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0076	0.0348	0.0466
Plasmodium falciparum	plasmepsin IV	0.002	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.1224	0.7466	1
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0153	0.0821	0.3913
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0323	0.1875	1
Plasmodium falciparum	plasmepsin VII	0.002	0	0.5
Plasmodium falciparum	plasmepsin III	0.002	0	0.5
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.009	0.009
Onchocerca volvulus		0.0043	0.0143	0.1235
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0207	0.1156	0.1548
Loa Loa (eye worm)	hypothetical protein	0.0207	0.1156	0.1548
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0055	0.0216	0.0424
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0143	0.0191
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0043	0.0143	0.0801
Loa Loa (eye worm)	RNA binding protein	0.0076	0.0348	0.0466
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0348	0.0466
Leishmania major	mitochondrial DNA polymerase beta	0.0323	0.1875	1
Echinococcus multilocularis	neuroligin	0.0207	0.1156	0.1156
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0045	0.0155	0.0068
Brugia malayi	Carboxylesterase family protein	0.0207	0.1156	0.1548
Onchocerca volvulus		0.0207	0.1156	1
Mycobacterium tuberculosis	Probable esterase LipL	0.0043	0.0143	0.0801
Mycobacterium leprae	Probable lipase LipE	0.0043	0.0143	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0043	0.0143	0.0191
Brugia malayi	hypothetical protein	0.0207	0.1156	0.1548
Brugia malayi	Carboxylesterase family protein	0.0207	0.1156	0.1548
Echinococcus granulosus	acetylcholinesterase	0.1224	0.7466	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0143	0.1235
Loa Loa (eye worm)	carboxylesterase	0.1224	0.7466	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0278	0.1596	1
Schistosoma mansoni	hypothetical protein	0.0165	0.0896	0.12
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0143	0.0191
Onchocerca volvulus		0.0207	0.1156	1
Plasmodium vivax	hypothetical protein, conserved	0.0043	0.0143	1

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 719322