TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 286.367 | Formula: C14H26N2O4
H donors: 0 H acceptors: 2 LogP: 1.5 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CON(C(=O)CCC1CCCN1C(=O)OC(C)(C)C)C
InChi: 1S/C14H26N2O4/c1-14(2,3)20-13(18)16-10-6-7-11(16)8-9-12(17)15(4)19-5/h11H,6-10H2,1-5H3
InChiKey: YRSRKZYIOUIAAL-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

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	ATPase family, AAA domain containing 5	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	Get druggable targets OG5_139225	All targets in OG5_139225

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	cathepsin F (C01 family)	0.0222	0.1334	0.1567
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0149	0.0499	0.1283
Loa Loa (eye worm)	cysteine protease	0.0222	0.1334	0.1567
Brugia malayi	eukaryotic initiation factor 4A	0.0149	0.0499	0.0586
Onchocerca volvulus	Cathepsin L homolog	0.0222	0.1334	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0222	0.1334	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0222	0.1334	0.5368
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0222	0.1334	0.5368
Loa Loa (eye worm)	DEAH box polypeptide 35	0.0342	0.2705	0.3177
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0222	0.1334	0.5368
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0157	0.0586	0.0689
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0222	0.1334	0.5368
Leishmania major	cathepsin L-like protease	0.0222	0.1334	0.4687
Brugia malayi	Cathepsin L-like precursor	0.0222	0.1334	0.1567
Leishmania major	cathepsin L-like protease	0.0222	0.1334	0.4687
Brugia malayi	Probable ATP-dependent helicase DHX35	0.0342	0.2705	0.3177
Loa Loa (eye worm)	fibroinase	0.0222	0.1334	0.1567
Schistosoma mansoni	cathepsin F (C01 family)	0.0222	0.1334	0.1567
Trypanosoma cruzi	cysteine peptidase, putative	0.0222	0.1334	0.1325
Loa Loa (eye worm)	hypothetical protein	0.0342	0.2705	0.3177
Brugia malayi	cathepsin L-like precursor	0.0157	0.0586	0.0689
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0222	0.1334	0.5368
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0222	0.1334	0.5368
Brugia malayi	Cathepsin L-like precursor	0.0222	0.1334	0.1567
Echinococcus granulosus	cathepsin b	0.085	0.8516	1
Onchocerca volvulus		0.0157	0.0586	0.2766
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0222	0.1334	0.5368
Loa Loa (eye worm)	hypothetical protein	0.0132	0.03	0.0353
Schistosoma mansoni	cathepsin F (C01 family)	0.0157	0.0586	0.0689
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0149	0.0499	0.1283
Entamoeba histolytica	cysteine proteinase, putative	0.0157	0.0586	0.3182
Plasmodium vivax	RNA helicase-1, putative	0.0149	0.0499	0.2389
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0222	0.1334	0.5368
Toxoplasma gondii	cathepsin CPL	0.0222	0.1334	0.4687
Trypanosoma cruzi	cruzipain precursor, putative	0.0222	0.1334	0.1325
Onchocerca volvulus		0.0222	0.1334	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0222	0.1334	0.5368
Loa Loa (eye worm)	hypothetical protein	0.0149	0.0499	0.0586
Leishmania major	cathepsin L-like protease	0.0222	0.1334	0.4687
Echinococcus multilocularis	cathepsin L	0.0126	0.0237	0.0184
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0222	0.1334	0.1567
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0222	0.1334	0.1512
Entamoeba histolytica	DEAD/DEAH box helicase, putative	0.0149	0.0499	0.2389
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0222	0.1334	0.5368
Leishmania major	cathepsin L-like protease	0.0222	0.1334	0.4687
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0126	0.0237	0.0279
Leishmania major	cysteine peptidase A (CPA)	0.0222	0.1334	0.4687
Trypanosoma cruzi	Eukaryotic initiation factor 4A-1	0.0149	0.0499	0.0317
Loa Loa (eye worm)	cathepsin B	0.0305	0.2281	0.2679
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0222	0.1334	0.5368
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0222	0.1334	0.5368
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.085	0.8516	1
Onchocerca volvulus		0.0222	0.1334	1
Trypanosoma cruzi	Eukaryotic initiation factor 4A-1	0.0149	0.0499	0.0317
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0222	0.1334	0.5368
Schistosoma mansoni	DEAD box ATP-dependent RNA helicase	0.0149	0.0499	0.0586
Leishmania major	cathepsin L-like protease	0.0222	0.1334	0.4687
Echinococcus granulosus	eukaryotic initiation factor 4A III	0.0149	0.0499	0.0526
Leishmania major	cathepsin L-like protease	0.0222	0.1334	0.4687
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0222	0.1334	0.5368
Onchocerca volvulus	Cathepsin L homolog	0.0222	0.1334	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0222	0.1334	0.1287
Onchocerca volvulus		0.0222	0.1334	1
Treponema pallidum	ATP-dependent RNA helicase	0.0149	0.0499	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0222	0.1334	0.5368
Onchocerca volvulus		0.0222	0.1334	1
Plasmodium vivax	vivapain-2	0.0222	0.1334	1
Echinococcus multilocularis	eukaryotic initiation factor 4A	0.0149	0.0499	0.0447
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0305	0.2281	1
Brugia malayi	Cathepsin L-like precursor	0.0222	0.1334	0.1567
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0222	0.1334	0.5368
Brugia malayi	Cathepsin L-like precursor	0.0222	0.1334	0.1567
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0126	0.0237	0.0279
Entamoeba histolytica	cysteine protease, putative	0.0222	0.1334	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0222	0.1334	0.5368
Plasmodium falciparum	eukaryotic initiation factor 4A	0.0149	0.0499	0.2389
Brugia malayi	Cathepsin L-like precursor	0.0157	0.0586	0.0689
Onchocerca volvulus		0.0222	0.1334	1
Schistosoma mansoni	DEAD box ATP-dependent RNA helicase	0.0149	0.0499	0.0586
Leishmania major	cathepsin L-like protease	0.0222	0.1334	0.4687
Brugia malayi	Papain family cysteine protease containing protein	0.0222	0.1334	0.1567
Echinococcus granulosus	cathepsin l1	0.0222	0.1334	0.1512
Plasmodium vivax	vivapain-2	0.0222	0.1334	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0222	0.1334	0.1325
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0222	0.1334	0.5368
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0222	0.1334	0.5368
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0222	0.1334	0.1567
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0222	0.1334	0.5368
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0222	0.1334	1
Loa Loa (eye worm)	hypothetical protein	0.0157	0.0586	0.0689
Brugia malayi	Papain family cysteine protease containing protein	0.0126	0.0237	0.0279
Brugia malayi	Cathepsin L-like precursor	0.0157	0.0586	0.0689
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0222	0.1334	0.5368
Echinococcus granulosus	cathepsin l1	0.0157	0.0586	0.0628
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0222	0.1334	0.1287
Echinococcus multilocularis	eukaryotic initiation factor 4A III	0.0149	0.0499	0.0447
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0157	0.0586	0.1708
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.085	0.8516	1
Brugia malayi	Trypsin family protein	0.0132	0.03	0.0353
Mycobacterium tuberculosis	Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog)	0.0149	0.0499	0.5
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0157	0.0586	0.0422
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0222	0.1334	0.5368
Loa Loa (eye worm)	hypothetical protein	0.0222	0.1334	0.1567
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0222	0.1334	0.5368
Onchocerca volvulus		0.0222	0.1334	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0222	0.1334	0.5368
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0305	0.2281	0.2679
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0222	0.1334	0.5368
Echinococcus multilocularis	cysteine protease	0.0222	0.1334	0.1287
Echinococcus multilocularis	cysteine protease	0.0222	0.1334	0.1287
Toxoplasma gondii	cathepsin B	0.0305	0.2281	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0132	0.03	0.0353
Onchocerca volvulus	Cathepsin F homolog	0.0222	0.1334	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0132	0.03	0.0353
Echinococcus multilocularis	cathepsin b	0.085	0.8516	0.8508
Entamoeba histolytica	cysteine proteinase, putative	0.0222	0.1334	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0222	0.1334	0.5368
Giardia lamblia	Cathepsin B precursor	0.0305	0.2281	1
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0305	0.2281	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0222	0.1334	0.5368
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0149	0.0499	0.1283
Brugia malayi	Papain family cysteine protease containing protein	0.0126	0.0237	0.0279
Brugia malayi	Cathepsin L-like precursor	0.0222	0.1334	0.1567
Giardia lamblia	Cathepsin B precursor	0.0305	0.2281	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0222	0.1334	0.1287
Leishmania major	cathepsin L-like protease	0.0222	0.1334	0.4687
Onchocerca volvulus	Eukaryotic initiation factor 4A homolog	0.0149	0.0499	0.1925
Trypanosoma brucei	Eukaryotic initiation factor 4A-1	0.0149	0.0499	0.1283
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0222	0.1334	0.1512
Brugia malayi	cathepsin B-like cysteine proteinase	0.085	0.8516	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0305	0.2281	0.2469
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.011	0.0055	0.0064
Onchocerca volvulus		0.0222	0.1334	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0126	0.0237	0.0279
Echinococcus granulosus	cathepsin L	0.0126	0.0237	0.0216
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0222	0.1334	0.5368
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0222	0.1334	1
Loa Loa (eye worm)	hypothetical protein	0.0157	0.0586	0.0689
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0157	0.0586	0.1708
Loa Loa (eye worm)	hypothetical protein	0.085	0.8516	1
Echinococcus multilocularis	cathepsin b	0.085	0.8516	0.8508
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.011	0.0055	0.0064
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.085	0.8516	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0222	0.1334	0.5368
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0222	0.1334	0.5368
Loa Loa (eye worm)	hypothetical protein	0.0132	0.03	0.0353
Echinococcus granulosus	eukaryotic initiation factor 4A	0.0149	0.0499	0.0526
Loa Loa (eye worm)	hypothetical protein	0.0157	0.0586	0.0689
Echinococcus granulosus	cathepsin b	0.085	0.8516	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0222	0.1334	0.5368
Echinococcus granulosus	cathepsin L cysteine protease	0.0126	0.0237	0.0216
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0305	0.2281	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.085	0.8516	1
Entamoeba histolytica	cysteine proteinase, putative	0.0222	0.1334	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0222	0.1334	0.1287
Trypanosoma cruzi	cysteine peptidase, putative	0.0222	0.1334	0.1325
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0222	0.1334	0.5368
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0222	0.1334	0.5368
Echinococcus granulosus	cysteine protease	0.0126	0.0237	0.0216
Loa Loa (eye worm)	ctsf protein	0.0222	0.1334	0.1567
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0222	0.1334	0.5368
Trypanosoma cruzi	cysteine peptidase, putative	0.0222	0.1334	0.1325
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.085	0.8516	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0222	0.1334	0.5368
Brugia malayi	Cathepsin L-like precursor	0.0222	0.1334	0.1567
Giardia lamblia	Cathepsin B precursor	0.0305	0.2281	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0222	0.1334	0.5368

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	16.3535 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference

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: CHEMBL1717290

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 1484972