TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 338.786 | Formula: C16H19ClN2O4
H donors: 2 H acceptors: 4 LogP: 1.14 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: O=C(NCc1ccc(cc1)Cl)CCC(=O)N1CCC[C@H]1C(=O)O
InChi: 1S/C16H19ClN2O4/c17-12-5-3-11(4-6-12)10-18-14(20)7-8-15(21)19-9-1-2-13(19)16(22)23/h3-6,13H,1-2,7-10H2,(H,18,20)(H,22,23)/t13-/m0/s1
InChiKey: CYDZCFWTMBKLOW-ZDUSSCGKSA-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 cruzi	prolyl endopeptidase	Get druggable targets OG5_129295	All targets in OG5_129295
Trypanosoma brucei	prolyl endopeptidase	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
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	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
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	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
Echinococcus granulosus	prolyl endopeptidase	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
Toxoplasma gondii	prolyl endopeptidase	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	Prolyl endopeptidase, putative	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
Loa Loa (eye worm)	hypothetical protein	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
Trypanosoma congolense	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
Leishmania donovani	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
Leishmania major	prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative	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
Mycobacterium leprae	PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B)	Prolyl endopeptidase	710 aa	735 aa	25.6 %
Trypanosoma congolense	oligopeptidase b	Prolyl endopeptidase	710 aa	588 aa	27.6 %
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 braziliensis	oligopeptidase b;with=GeneDB:LmjF09.0770	Prolyl endopeptidase	710 aa	600 aa	25.7 %
Trypanosoma brucei gambiense	oligopeptidase B, putative	Prolyl endopeptidase	710 aa	626 aa	27.2 %
Trypanosoma brucei	oligopeptidase b	Prolyl endopeptidase	710 aa	626 aa	27.2 %
Onchocerca volvulus		Prolyl endopeptidase	710 aa	724 aa	46.7 %
Leishmania mexicana	oligopeptidase b,serine peptidase, clan SC, family S9A-like protein	Prolyl endopeptidase	710 aa	723 aa	24.6 %
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 %
Leishmania major	oligopeptidase b	Prolyl endopeptidase	710 aa	718 aa	25.2 %
Leishmania donovani	oligopeptidase b	Prolyl endopeptidase	710 aa	720 aa	25.1 %
Trypanosoma cruzi	oligopeptidase b	Prolyl endopeptidase	710 aa	719 aa	25.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0362	0.034
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0362	0.0426
Loa Loa (eye worm)	PHD-finger family protein	0.002	0.0035	0.0134
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0246	0.0938
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.0158	0.1697	0.2099
Mycobacterium tuberculosis	Probable protease II PtrBa [first part] (oligopeptidase B)	0.0142	0.1497	1
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0033	0.0192	0.0212
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0362	0.0426
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0031	0.0169	0.0183
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0105	0.1061	0.3841
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0035	0.0217	0.0244
Schistosoma mansoni	hypothetical protein	0.0033	0.0192	0.0212
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0362	0.0426
Echinococcus granulosus	GPCR family 2	0.0033	0.0192	0.0212
Schistosoma mansoni	bromodomain containing protein	0.0062	0.0543	0.0652
Loa Loa (eye worm)	MH2 domain-containing protein	0.0235	0.2624	1
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0103	0.103	0.101
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0022	0.0058	0.0044
Toxoplasma gondii	prolyl endopeptidase	0.0158	0.1697	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0072	0.0659	0.2256
Schistosoma mansoni	jumonji/arid domain-containing protein	0.004	0.0271	0.0311
Schistosoma mansoni	hypothetical protein	0.0033	0.0192	0.0212
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0362	0.0426
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0033	0.0192	0.017
Schistosoma mansoni	jumonji domain containing protein	0.0082	0.0775	0.0943
Trypanosoma brucei	prolyl endopeptidase	0.0158	0.1697	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0033	0.0192	0.0732
Schistosoma mansoni	hypothetical protein	0.0033	0.0192	0.0212
Loa Loa (eye worm)	hypothetical protein	0.007	0.0631	0.2405
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0192	0.0732
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0228	0.2545	0.9697
Loa Loa (eye worm)	jmjC domain-containing protein	0.004	0.0271	0.1032
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0033	0.0192	0.0417
Loa Loa (eye worm)	transcription factor SMAD2	0.0235	0.2624	1
Loa Loa (eye worm)	hypothetical protein	0.0158	0.1697	0.6465
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0033	0.0192	0.017
Echinococcus multilocularis	GPCR, family 2	0.0033	0.0192	0.017
Echinococcus granulosus	peregrin	0.0034	0.0197	0.0218
Brugia malayi	Bromodomain containing protein	0.0034	0.0197	0.0435
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0047	0.0362	0.138
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.0158	0.1697	0.2099
Schistosoma mansoni	hypothetical protein	0.017	0.1837	0.2275
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0362	0.0426
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0035	0.0217	0.0195
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0362	0.034
Brugia malayi	Bromodomain containing protein	0.0038	0.0245	0.0627
Schistosoma mansoni	jumonji/arid domain-containing protein	0.004	0.0271	0.0311
Brugia malayi	Bromodomain containing protein	0.0074	0.0682	0.2347
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0022	0.0058	0.0035
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0659	0.2511
Echinococcus multilocularis	geminin	0.017	0.1837	0.1818
Echinococcus multilocularis	peregrin	0.0034	0.0197	0.0174
Onchocerca volvulus	Prolyl endopeptidase homolog	0.0158	0.1697	1
Schistosoma mansoni	hypothetical protein	0.0072	0.0659	0.0798
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0103	0.103	0.1263
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0105	0.1061	0.3841
Schistosoma mansoni	hypothetical protein	0.017	0.1837	0.2275
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0059	0.05	0.0478
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0033	0.0192	0.0212
Echinococcus multilocularis	jumonji domain containing protein	0.0044	0.0317	0.0295
Schistosoma mansoni	hypothetical protein	0.0033	0.0192	0.0212
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0297	0.1132
Brugia malayi	prolyl oligopeptidase family protein	0.0158	0.1697	0.6345
Echinococcus multilocularis	lysine specific demethylase 5A	0.0038	0.0248	0.0226
Schistosoma mansoni	hypothetical protein	0.002	0.0035	0.0016
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0105	0.1061	0.4043
Echinococcus multilocularis	prolyl endopeptidase	0.0158	0.1697	0.1678
Leishmania major	prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative	0.0158	0.1697	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0047	0.0362	0.1088
Brugia malayi	follicle stimulating hormone receptor	0.0228	0.2545	0.9687
Mycobacterium leprae	PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B)	0.0063	0.0548	0.5
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0031	0.0169	0.0146
Giardia lamblia	PHD finger protein 15	0.0031	0.0169	0.5
Brugia malayi	jmjC domain containing protein	0.0103	0.103	0.3718
Brugia malayi	Latrophilin receptor protein 2	0.0033	0.0192	0.0417
Echinococcus granulosus	lysine specific demethylase 5A	0.004	0.0271	0.0311
Echinococcus multilocularis	microtubule associated protein 2	0.0681	0.7999	0.7994
Loa Loa (eye worm)	hypothetical protein	0.0105	0.1061	0.4043
Plasmodium vivax	hypothetical protein, conserved	0.0031	0.0169	0.5
Plasmodium falciparum	phd finger protein, putative	0.0031	0.0169	0.5
Schistosoma mansoni	hypothetical protein	0.0031	0.0169	0.0183
Echinococcus granulosus	microtubule associated protein 2	0.0681	0.7999	1
Echinococcus granulosus	jumonji domain containing protein	0.0044	0.0317	0.0369
Schistosoma mansoni	microtubule-associated protein tau	0.0681	0.7999	1
Echinococcus granulosus	fetal alzheimer antigen falz	0.0022	0.0058	0.0044
Brugia malayi	MH2 domain containing protein	0.0235	0.2624	1
Loa Loa (eye worm)	PHD-finger family protein	0.0031	0.0169	0.0642
Trypanosoma cruzi	prolyl endopeptidase	0.0158	0.1697	1
Loa Loa (eye worm)	hypothetical protein	0.004	0.0274	0.1046
Mycobacterium ulcerans	protease II (oligopeptidase B), PtrB	0.0063	0.0548	0.5
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0439	0.1673
Brugia malayi	jmjC domain containing protein	0.004	0.0271	0.0728
Echinococcus granulosus	PHD finger protein rhinoceros	0.0031	0.0169	0.0183
Echinococcus granulosus	prolyl endopeptidase	0.0158	0.1697	0.2099
Echinococcus granulosus	geminin	0.017	0.1837	0.2275
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0169	0.0642
Brugia malayi	PHD-finger family protein	0.0031	0.0169	0.0324
Loa Loa (eye worm)	jmjC domain-containing protein	0.0065	0.0572	0.2178
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0059	0.05	0.0598

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 12 nM	inhibition of rat cortex POP	ChEMBL.	20058865

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: CHEMBL1087333

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 1179832