TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 488.578 | Formula: C28H32N4O4
H donors: 1 H acceptors: 4 LogP: 2.64 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: O=C(N1CCC[C@H]1C(=O)N1CCCC1)CCCN1C(=O)NC(C1=O)(c1ccccc1)c1ccccc1
InChi: 1S/C28H32N4O4/c33-24(31-19-9-15-23(31)25(34)30-17-7-8-18-30)16-10-20-32-26(35)28(29-27(32)36,21-11-3-1-4-12-21)22-13-5-2-6-14-22/h1-6,11-14,23H,7-10,15-20H2,(H,29,36)/t23-/m0/s1
InChiKey: PHYVMRFCTLZIHY-QHCPKHFHSA-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

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Prolyl endopeptidase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trypanosoma congolense	prolyl endopeptidase	Get druggable targets OG5_129295	All targets in OG5_129295
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	Get druggable targets OG5_129295	All targets in OG5_129295
Onchocerca volvulus	Prolyl endopeptidase homolog	Get druggable targets OG5_129295	All targets in OG5_129295
Leishmania mexicana	prolyl oligopeptidase, putative	Get druggable targets OG5_129295	All targets in OG5_129295
Trypanosoma brucei	prolyl endopeptidase	Get druggable targets OG5_129295	All targets in OG5_129295
Leishmania infantum	prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative	Get druggable targets OG5_129295	All targets in OG5_129295
Echinococcus multilocularis	prolyl endopeptidase	Get druggable targets OG5_129295	All targets in OG5_129295
Schistosoma japonicum	ko:K01322 prolyl oligopeptidase [EC3.4.21.26], putative	Get druggable targets OG5_129295	All targets in OG5_129295
Brugia malayi	prolyl oligopeptidase family protein	Get druggable targets OG5_129295	All targets in OG5_129295
Leishmania major	prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative	Get druggable targets OG5_129295	All targets in OG5_129295
Leishmania donovani	prolyl endopeptidase	Get druggable targets OG5_129295	All targets in OG5_129295
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_129295	All targets in OG5_129295
Trypanosoma cruzi	prolyl endopeptidase	Get druggable targets OG5_129295	All targets in OG5_129295
Echinococcus granulosus	prolyl endopeptidase	Get druggable targets OG5_129295	All targets in OG5_129295
Trypanosoma brucei gambiense	prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative	Get druggable targets OG5_129295	All targets in OG5_129295
Toxoplasma gondii	prolyl endopeptidase	Get druggable targets OG5_129295	All targets in OG5_129295
Schistosoma japonicum	Prolyl endopeptidase, putative	Get druggable targets OG5_129295	All targets in OG5_129295
Neospora caninum	Prolyl oligopeptidase (EC 3.4.21.26) (Precursor), related	Get druggable targets OG5_129295	All targets in OG5_129295
Mycobacterium tuberculosis	Probable protease II PtrBa [first part] (oligopeptidase B)	Get druggable targets OG5_129295	All targets in OG5_129295
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	Get druggable targets OG5_129295	All targets in OG5_129295

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Leishmania donovani	oligopeptidase b	Prolyl endopeptidase	710 aa	720 aa	25.1 %
Leishmania major	oligopeptidase b	Prolyl endopeptidase	710 aa	718 aa	25.2 %
Trypanosoma brucei gambiense	oligopeptidase B, putative	Prolyl endopeptidase	710 aa	626 aa	27.2 %
Leishmania infantum	oligopeptidase b;with=GeneDB:LmjF09.0770	Prolyl endopeptidase	710 aa	720 aa	25.1 %
Mycobacterium ulcerans	protease II (oligopeptidase B), PtrB	Prolyl endopeptidase	710 aa	713 aa	26.4 %
Trypanosoma brucei	oligopeptidase b	Prolyl endopeptidase	710 aa	626 aa	27.2 %
Dictyostelium discoideum	oligopeptidase B	Prolyl endopeptidase	710 aa	716 aa	23.3 %
Trypanosoma cruzi	oligopeptidase b	Prolyl endopeptidase	710 aa	719 aa	25.7 %
Leishmania mexicana	oligopeptidase b,serine peptidase, clan SC, family S9A-like protein	Prolyl endopeptidase	710 aa	723 aa	24.6 %
Onchocerca volvulus		Prolyl endopeptidase	710 aa	724 aa	46.7 %
Trypanosoma cruzi	oligopeptidase b	Prolyl endopeptidase	710 aa	719 aa	25.7 %
Trypanosoma congolense	oligopeptidase b	Prolyl endopeptidase	710 aa	588 aa	27.6 %
Leishmania braziliensis	oligopeptidase b;with=GeneDB:LmjF09.0770	Prolyl endopeptidase	710 aa	600 aa	25.7 %
Mycobacterium leprae	PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B)	Prolyl endopeptidase	710 aa	735 aa	25.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	prolyl oligopeptidase	0.0017	0.0094	0.0094
Onchocerca volvulus	Prolyl endopeptidase homolog	0.0158	0.5868	1
Mycobacterium tuberculosis	Probable peptidase	0.0063	0.1983	0.3614
Giardia lamblia	Alanyl dipeptidyl peptidase	0.0017	0.0094	0.5
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0053	0.1576	0.1522
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0026	0.0479	0.1513
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.0479	0.1513
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0479	0.0479
Entamoeba histolytica	hypothetical protein	0.0039	0.1028	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0094	0.0094
Leishmania major	4-coumarate:coa ligase-like protein	0.0026	0.0479	0.0666
Loa Loa (eye worm)	hypothetical protein	0.0019	0.021	0.021
Brugia malayi	prolyl oligopeptidase family protein	0.0017	0.0094	0.003
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.0158	0.5868	1
Schistosoma mansoni	survival motor neuron protein	0.0053	0.1576	0.2567
Loa Loa (eye worm)	hypothetical protein	0.0019	0.021	0.021
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0016	0.0064	0.0064
Echinococcus granulosus	dipeptidyl aminopeptidaseprotein	0.0017	0.0094	0.0094
Brugia malayi	Intermediate filament tail domain containing protein	0.003	0.0624	0.0564
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0026	0.0479	0.062
Leishmania major	4-coumarate:coa ligase-like protein	0.0026	0.0479	0.0666
Echinococcus granulosus	intermediate filament protein	0.003	0.0624	0.0624
Leishmania major	oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein	0.0063	0.1983	0.3271
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0026	0.0479	0.1513
Echinococcus granulosus	prolyl endopeptidase	0.0158	0.5868	0.5868
Echinococcus multilocularis	musashi	0.003	0.0624	0.0624
Loa Loa (eye worm)	prolyl oligopeptidase	0.0017	0.0094	0.0094
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.003	0.0624	0.0624
Mycobacterium leprae	PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B)	0.0063	0.1983	1
Onchocerca volvulus		0.0026	0.0479	0.0666
Entamoeba histolytica	hypothetical protein	0.0039	0.1028	1
Schistosoma mansoni	intermediate filament proteins	0.003	0.0624	0.0918
Plasmodium falciparum	acyl-CoA synthetase	0.0019	0.021	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.0479	0.1513
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0026	0.0479	0.4118
Leishmania major	oligopeptidase b	0.0063	0.1983	0.3271
Mycobacterium tuberculosis	Probable protease II PtrBb [second part] (oligopeptidase B)	0.0063	0.1983	0.3614
Onchocerca volvulus		0.003	0.0624	0.0918
Trypanosoma brucei	oligopeptidase b	0.0063	0.1983	0.3271
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0602	0.0602
Echinococcus granulosus	survival motor neuron protein 1	0.0259	1	1
Brugia malayi	hypothetical protein	0.0039	0.1028	0.097
Echinococcus granulosus	acylamino acid releasing enzyme	0.0017	0.0094	0.0094
Leishmania major	prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative	0.0158	0.5868	1
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0019	0.021	0.5
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0479	0.0479
Brugia malayi	AMP-binding enzyme family protein	0.0026	0.0479	0.0417
Echinococcus granulosus	lamin	0.003	0.0624	0.0624
Schistosoma mansoni	transcription factor LCR-F1	0.0039	0.1028	0.1617
Echinococcus multilocularis	dipeptidyl aminopeptidaseprotein	0.0017	0.0094	0.0094
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0026	0.0479	0.1513
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.0158	0.5868	1
Brugia malayi	prolyl oligopeptidase family protein	0.0017	0.0094	0.003
Schistosoma mansoni	lamin	0.003	0.0624	0.0918
Echinococcus granulosus	lamin dm0	0.003	0.0624	0.0624
Trypanosoma cruzi	oligopeptidase b	0.0063	0.1983	0.3271
Giardia lamblia	Alanyl dipeptidyl peptidase	0.0017	0.0094	0.5
Trypanosoma brucei	serine peptidase, clan SC, family S9A-like protein	0.0063	0.1983	0.3271
Trichomonas vaginalis	Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase	0.0017	0.0094	0.5
Loa Loa (eye worm)	hypothetical protein	0.0158	0.5868	0.5868
Brugia malayi	intermediate filament protein	0.003	0.0624	0.0564
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.0479	0.1513
Loa Loa (eye worm)	intermediate filament protein	0.003	0.0624	0.0624
Entamoeba histolytica	hypothetical protein	0.0039	0.1028	1
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0019	0.021	0.0086
Brugia malayi	prolyl oligopeptidase family protein	0.0017	0.0094	0.003
Loa Loa (eye worm)	hypothetical protein	0.003	0.0624	0.0624
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0026	0.0479	0.062
Loa Loa (eye worm)	hypothetical protein	0.0019	0.021	0.021
Leishmania major	4-coumarate:coa ligase-like protein	0.0026	0.0479	0.0666
Trypanosoma cruzi	oligopeptidase b	0.0063	0.1983	0.3271
Schistosoma mansoni	hypothetical protein	0.0039	0.1028	0.1617
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0026	0.0479	0.4118
Mycobacterium ulcerans	protease II (oligopeptidase B), PtrB	0.0063	0.1983	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0094	0.0094
Echinococcus multilocularis	acylamino acid releasing enzyme	0.0017	0.0094	0.0094
Trypanosoma cruzi	serine peptidase, clan SC, family S9A-like protein, putative	0.0063	0.1983	0.3271
Toxoplasma gondii	prolyl endopeptidase	0.0158	0.5868	1
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0017	0.0094	0.5
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0026	0.0479	0.1513
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0039	0.1028	0.1028
Echinococcus multilocularis	Dipeptidyl peptidase 9	0.0017	0.0094	0.0094
Onchocerca volvulus		0.003	0.0624	0.0918
Echinococcus multilocularis	prolyl endopeptidase	0.0158	0.5868	0.5868
Entamoeba histolytica	hypothetical protein	0.0039	0.1028	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.021	0.021
Echinococcus multilocularis	survival motor neuron protein 1	0.0259	1	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0039	0.1028	0.1028
Loa Loa (eye worm)	hypothetical protein	0.0019	0.021	0.021
Trypanosoma brucei	prolyl oligopeptidase, putative	0.0063	0.1983	0.3271
Echinococcus multilocularis	lamin dm0	0.003	0.0624	0.0624
Entamoeba histolytica	acyl-coA synthetase, putative	0.0026	0.0479	0.4118
Echinococcus granulosus	Dipeptidyl peptidase 9	0.0017	0.0094	0.0094
Mycobacterium ulcerans	hypothetical protein	0.0026	0.0479	0.1513
Brugia malayi	AMP-binding enzyme family protein	0.0026	0.0479	0.0417
Onchocerca volvulus		0.0053	0.1576	0.2567
Plasmodium vivax	acyl-CoA synthetase, putative	0.0019	0.021	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0479	0.0479
Trypanosoma brucei	prolyl endopeptidase	0.0158	0.5868	1
Schistosoma mansoni	lamin	0.003	0.0624	0.0918
Loa Loa (eye worm)	hypothetical protein	0.0259	1	1
Brugia malayi	prolyl oligopeptidase family protein	0.0158	0.5868	0.5841
Brugia malayi	AMP-binding enzyme family protein	0.0026	0.0479	0.0417
Trypanosoma cruzi	oligopeptidase B-like protein, putative	0.0063	0.1983	0.3271
Brugia malayi	prolyl oligopeptidase family protein	0.0017	0.0094	0.003
Schistosoma mansoni	hypothetical protein	0.0053	0.1576	0.2567
Echinococcus multilocularis	lamin	0.003	0.0624	0.0624
Trypanosoma cruzi	prolyl endopeptidase	0.0158	0.5868	1
Mycobacterium tuberculosis	Probable protease II PtrBa [first part] (oligopeptidase B)	0.0142	0.5192	1
Trichomonas vaginalis	conserved hypothetical protein	0.0017	0.0094	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 41 nM	Inhibition of POP in Sprague-Dawley rat brain homogenates	ChEMBL.	19006380

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

ChEMBL: CHEMBL516159

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 1014458