TDR Targets

Basic information

Technical information

TDR Targets ID: 562583
Name: (2,5-dioxopyrrolidin-1-yl) 1-(3-cyano-3,3-dip henyl-propyl)-4-phenyl-piperidine-4-carboxyla te
MW: 521.606 | Formula: C32H31N3O4
H donors: 0 H acceptors: 4 LogP: 4.43 Rotable bonds: 9
Rule of 5 violations (Lipinski): 2
SMILES: N#CC(c1ccccc1)(c1ccccc1)CCN1CCC(CC1)(C(=O)ON1C(=O)CCC1=O)c1ccccc1
InChi: 1S/C32H31N3O4/c33-24-32(26-12-6-2-7-13-26,27-14-8-3-9-15-27)20-23-34-21-18-31(19-22-34,25-10-4-1-5-11-25)30(38)39-35-28(36)16-17-29(35)37/h1-15H,16-23H2
InChiKey: FTOLAXZXUUHQQX-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-(3-cyano-3,3-diphenylpropyl)-4-phenyl-4-piperidinecarboxylic acid (2,5-dioxo-1-pyrrolidinyl) ester
1-(3-cyano-3,3-diphenyl-propyl)-4-phenyl-isonipecot succinimido ester
(2,5-dioxopyrrolidin-1-yl) 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate
difenoximide
(2,5-dioxopyrrolidin-1-yl) 1-[3-cyano-3,3-di(phenyl)propyl]-4-phenylpiperidine-4-carboxylate
(2,5-dioxopyrrolidin-1-yl) 1-[3-cyano-3,3-di(phenyl)propyl]-4-phenyl-piperidine-4-carboxylate
1-[3-cyano-3,3-di(phenyl)propyl]-4-phenyl-4-piperidinecarboxylic acid (2,5-dioxo-1-pyrrolidinyl) ester
1-[3-cyano-3,3-di(phenyl)propyl]-4-phenyl-isonipecotic acid succinimido ester
47806-92-8
1-Piperidinebutanenitrile, 4-(((2,5-dioxo-1-pyrrolidinyl)oxy)carbonyl)-alpha,alpha,4-triphenyl-
4-(((2,5-Dioxo-1-pyrrolidinyl)oxy)carbonyl)-alpha,alpha,4-triphenyl-1-piperidinebutanenitrile

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
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0187	0.045
Echinococcus multilocularis	nuclear factor of activated T cells 5	0.031	0.3684	0.3564
Mycobacterium ulcerans	hypothetical protein	0.0159	0.1792	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0088	0.0194
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0024	0.0088	0.0489
Schistosoma mansoni	tar DNA-binding protein	0.0268	0.3163	1
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0042	0.0321	0.0794
Schistosoma mansoni	transcription factor LCR-F1	0.0114	0.122	0.3472
Trichomonas vaginalis	glucosylceramidase, putative	0.017	0.1923	0.5889
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0114	0.122	0.2954
Toxoplasma gondii	hypothetical protein	0.0049	0.0402	0.5
Trichomonas vaginalis	glucosylceramidase, putative	0.0179	0.2038	0.6311
Onchocerca volvulus	Netrin receptor homolog	0.0032	0.0187	0.0261
Schistosoma mansoni	hypothetical protein	0.0114	0.122	0.3472
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0441	0.1101
Loa Loa (eye worm)	TAR-binding protein	0.0268	0.3163	0.8093
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0321	0.0794
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0088	0.0194
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0052	0.0441	0.0358
Schistosoma mansoni	netrin receptor unc5	0.0032	0.0187	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0099	0.1029	0.2612
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0143	0.1588	0.3871
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0024	0.0088	0.0424
Schistosoma mansoni	hypothetical protein	0.017	0.1923	0.5834
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0032	0.0187	0.0261
Echinococcus granulosus	death domain containing protein	0.0032	0.0187	0.0003
Brugia malayi	Niemann-Pick C1 protein precursor	0.0099	0.1029	0.2466
Echinococcus multilocularis	Niemann Pick C1 protein	0.0099	0.1029	0.0858
Echinococcus multilocularis	tar DNA binding protein	0.0268	0.3163	0.3033
Loa Loa (eye worm)	RNA binding protein	0.0268	0.3163	0.8093
Entamoeba histolytica	hypothetical protein	0.0114	0.122	1
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0259	0.3041	0.7781
Trichomonas vaginalis	glucosylceramidase, putative	0.0259	0.3041	1
Schistosoma mansoni	tar DNA-binding protein	0.0268	0.3163	1
Schistosoma mansoni	hypothetical protein	0.0032	0.0187	0.0003
Trichomonas vaginalis	glucosylceramidase, putative	0.017	0.1923	0.5889
Schistosoma mansoni	tar DNA-binding protein	0.0268	0.3163	1
Echinococcus multilocularis	sterol regulatory element binding protein	0.0042	0.0321	0.0137
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.01	0.1045	0.2507
Onchocerca volvulus		0.0328	0.3905	1
Schistosoma mansoni	hypothetical protein	0.0041	0.0302	0.0388
Schistosoma mansoni	ankyrin 23/unc44	0.0032	0.0187	0.0003
Echinococcus multilocularis	Ankyrin	0.0032	0.0189	0.0003
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0032	0.0187	0.045
Brugia malayi	RNA binding protein	0.0268	0.3163	0.8056
Brugia malayi	hypothetical protein	0.0328	0.3905	1
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0024	0.0088	0.5
Echinococcus multilocularis	netrin receptor unc 5	0.0032	0.0187	0.0001
Echinococcus multilocularis	ankyrin repeat and death domain containing protein	0.0032	0.0187	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0328	0.3905	1
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0024	0.0088	0.0424
Entamoeba histolytica	hypothetical protein	0.0114	0.122	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0088	0.0424
Loa Loa (eye worm)	hypothetical protein	0.01	0.1045	0.2652
Echinococcus granulosus	Protein patched homolog 1	0.0042	0.0321	0.0385
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0088	0.0424
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0268	0.3163	0.8093
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0303	0.3591	1
Trichomonas vaginalis	glucosylceramidase, putative	0.017	0.1923	0.5889
Schistosoma mansoni	hypothetical protein	0.0041	0.0302	0.0388
Schistosoma mansoni	tar DNA-binding protein	0.0268	0.3163	1
Schistosoma mansoni	retinoblastoma-binding protein 4 (rbbp4)	0.0032	0.0189	0.0009
Entamoeba histolytica	hypothetical protein	0.0114	0.122	1
Mycobacterium ulcerans	hypothetical protein	0.0024	0.0088	0.0424
Schistosoma mansoni	hypothetical protein	0.0041	0.0302	0.0388
Trichomonas vaginalis	glucosylceramidase, putative	0.0259	0.3041	1
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0024	0.0088	0.0424
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0189	0.0454
Brugia malayi	CHE-14 protein	0.0042	0.0321	0.0612
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0099	0.1029	0.8314
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0024	0.0088	0.0424
Echinococcus multilocularis	geminin	0.017	0.1923	0.1769
Echinococcus multilocularis	protein patched	0.0042	0.0321	0.0137
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0143	0.1588	0.4284
Plasmodium vivax	acyl-CoA synthetase, putative	0.0018	0.0012	0.5
Brugia malayi	hypothetical protein	0.0114	0.122	0.2965
Brugia malayi	Protein kinase domain containing protein	0.0032	0.0187	0.0261
Brugia malayi	Calcitonin receptor-like protein seb-1	0.01	0.1045	0.2507
Brugia malayi	Death domain containing protein	0.0032	0.0187	0.0261
Trichomonas vaginalis	glucosylceramidase, putative	0.0259	0.3041	1
Echinococcus granulosus	Ankyrin	0.0032	0.0189	0.0007
Echinococcus multilocularis	Niemann Pick C1 protein	0.0141	0.1561	0.1401
Brugia malayi	TAR-binding protein	0.0268	0.3163	0.8056
Leishmania major	mitochondrial DNA polymerase beta	0.0303	0.3591	1
Echinococcus granulosus	nuclear factor of activated T cells 5	0.031	0.3684	1
Schistosoma mansoni	hypothetical protein	0.0068	0.0647	0.1549
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0647	0.1632
Brugia malayi	latrophilin 2 splice variant baaae	0.0068	0.0647	0.1466
Trichomonas vaginalis	glucosylceramidase, putative	0.0179	0.2038	0.6311
Trichomonas vaginalis	glucosylceramidase, putative	0.0259	0.3041	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0088	0.0424
Trichomonas vaginalis	glucosylceramidase, putative	0.017	0.1923	0.5889
Echinococcus multilocularis	expressed conserved protein	0.0093	0.0954	0.0782
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0114	0.122	0.1053
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.01	0.1048	0.2895
Plasmodium falciparum	acyl-CoA synthetase	0.0018	0.0012	0.5
Brugia malayi	Uncoordinated protein 44	0.0032	0.0187	0.0261
Trichomonas vaginalis	glucosylceramidase, putative	0.017	0.1923	0.5889
Schistosoma mansoni	tar DNA-binding protein	0.0268	0.3163	1
Echinococcus granulosus	Niemann Pick C1 protein	0.0099	0.1029	0.2409
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0159	0.1792	1
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0143	0.1588	0.3871
Schistosoma mansoni	patched 1	0.0042	0.0321	0.0453
Entamoeba histolytica	hypothetical protein	0.0114	0.122	1
Echinococcus multilocularis	protein dispatched 1	0.0048	0.0396	0.0214
Brugia malayi	RNA recognition motif domain containing protein	0.0268	0.3163	0.8056
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0032	0.0186	0.0259
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0024	0.0088	0.0489
Echinococcus granulosus	tar DNA binding protein	0.0268	0.3163	0.851
Trichomonas vaginalis	glucosylceramidase, putative	0.017	0.1923	0.5889
Echinococcus granulosus	Niemann Pick C1 protein	0.0141	0.1561	0.393
Schistosoma mansoni	hypothetical protein	0.0041	0.0302	0.0388
Schistosoma mansoni	hypothetical protein	0.017	0.1923	0.5834
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0303	0.3591	1
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0018	0.0012	0.5
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0259	0.3041	0.7737
Echinococcus granulosus	expressed conserved protein	0.0093	0.0954	0.2194
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0088	0.0194
Trichomonas vaginalis	glucosylceramidase, putative	0.0259	0.3041	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.01	0.1045	0.2652
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0032	0.0186	0.0447
Trichomonas vaginalis	glucosylceramidase, putative	0.0259	0.3041	1
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0303	0.3591	1
Echinococcus granulosus	sterol regulatory element binding protein	0.0042	0.0321	0.0385
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.0012	0.0068
Echinococcus granulosus	netrin receptor unc 5	0.0032	0.0187	0.0003
Brugia malayi	Latrophilin receptor protein 2	0.0032	0.0186	0.0259
Echinococcus granulosus	ankyrin repeat and death domain containing protein	0.0032	0.0187	0.0003
Echinococcus granulosus	geminin	0.017	0.1923	0.4965
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0186	0.0447
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0024	0.0088	0.5
Trichomonas vaginalis	glucosylceramidase, putative	0.017	0.1923	0.5889
Onchocerca volvulus	Glucosylceramidase homolog	0.017	0.1923	0.4808

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

Search by CAS
PubChem: 39481

Bibliographic References

No literature references available for this target.

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Detailed information for compound 562583