TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 281.309 | Formula: C16H15N3O2
H donors: 2 H acceptors: 2 LogP: 2.15 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: NCCC(=O)Nc1ccccc1c1nc2c(o1)cccc2
InChi: 1S/C16H15N3O2/c17-10-9-15(20)18-12-6-2-1-5-11(12)16-19-13-7-3-4-8-14(13)21-16/h1-8H,9-10,17H2,(H,18,20)
InChiKey: AKSQLBRZDHDDDM-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

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)	cysteine protease	0.0212	0.2225	0.2225
Schistosoma mansoni	calpain-7 (C02 family)	0.0066	0.0039	0.0039
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0212	0.2225	0.2195
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0679	0.0679
Leishmania major	cathepsin L-like protease	0.0212	0.2225	0.7333
Brugia malayi	cathepsin L-like precursor	0.0149	0.1281	0.1281
Onchocerca volvulus		0.0149	0.1281	0.3891
Trypanosoma cruzi	cysteine peptidase, putative	0.0212	0.2225	0.2225
Schistosoma mansoni	calpain C (C02 family)	0.0066	0.0039	0.0039
Echinococcus multilocularis	cysteine protease	0.0212	0.2225	0.2195
Echinococcus multilocularis	cathepsin L cysteine protease	0.0212	0.2225	0.2195
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0149	0.1281	0.1281
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0265	0.302	1
Brugia malayi	Cathepsin L-like precursor	0.0149	0.1281	0.1281
Echinococcus multilocularis	calpain A	0.019	0.1893	0.1861
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0212	0.2225	0.6354
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0066	0.0039	0.0039
Onchocerca volvulus		0.0212	0.2225	1
Echinococcus multilocularis	family C2 unassigned peptidase (C02 family)	0.0189	0.1885	0.1854
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0212	0.2225	1
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0066	0.0039	0.0039
Echinococcus multilocularis	calpain family protein 1, d	0.0128	0.0975	0.094
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0212	0.2225	0.6354
Brugia malayi	Cathepsin L-like precursor	0.0212	0.2225	0.2225
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0189	0.1885	0.1885
Schistosoma mansoni	cathepsin F (C01 family)	0.0212	0.2225	0.2225
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0119	0.084	0.084
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0119	0.084	0.2687
Onchocerca volvulus		0.0212	0.2225	1
Entamoeba histolytica	cysteine proteinase, putative	0.0212	0.2225	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0257	0.2906	0.9615
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0212	0.2225	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0119	0.084	0.084
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0212	0.2225	0.2225
Loa Loa (eye worm)	calpain family protein 1	0.0174	0.1662	0.1662
Brugia malayi	Papain family cysteine protease containing protein	0.0119	0.084	0.084
Echinococcus granulosus	cathepsin b	0.0731	1	1
Leishmania major	cathepsin L-like protease	0.0212	0.2225	0.7333
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0257	0.2906	0.9615
Echinococcus multilocularis	cathepsin L	0.0119	0.084	0.0804
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0194	0.1961	0.1961
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0212	0.2225	0.6354
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0119	0.084	0.084
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0212	0.2225	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0257	0.2906	0.9615
Brugia malayi	Cathepsin L-like precursor	0.0212	0.2225	0.2225
Echinococcus multilocularis	cysteine protease	0.0212	0.2225	0.2195
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0212	0.2225	0.6354
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0212	0.2225	0.6354
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0066	0.0039	0.0039
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0066	0.0039	0.0039
Leishmania major	cathepsin L-like protease	0.0212	0.2225	0.7333
Onchocerca volvulus		0.0212	0.2225	1
Brugia malayi	calpain family protein 1	0.0174	0.1662	0.1662
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0257	0.2906	0.9615
Leishmania major	cathepsin L-like protease	0.0212	0.2225	0.7333
Onchocerca volvulus		0.0212	0.2225	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0119	0.084	0.084
Leishmania major	cathepsin L-like protease	0.0212	0.2225	0.7333
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0212	0.2225	0.6354
Echinococcus granulosus	cathepsin L	0.0119	0.084	0.0804
Plasmodium vivax	vivapain-3	0.0119	0.084	0.3774
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0212	0.2225	0.6354
Brugia malayi	Cathepsin L-like precursor	0.0212	0.2225	0.2225
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0265	0.302	0.302
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0066	0.0039	0.0039
Loa Loa (eye worm)	fibroinase	0.0212	0.2225	0.2225
Brugia malayi	Cathepsin L-like precursor	0.0212	0.2225	0.2225
Echinococcus multilocularis	cathepsin b	0.0731	1	1
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0119	0.084	0.084
Plasmodium vivax	vivapain-1	0.0119	0.084	0.3774
Echinococcus multilocularis	cathepsin L cysteine protease	0.0212	0.2225	0.2195
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0731	1	1
Echinococcus granulosus	cathepsin l1	0.0149	0.1281	0.1247
Loa Loa (eye worm)	hypothetical protein	0.0128	0.0975	0.0975
Loa Loa (eye worm)	hypothetical protein	0.0174	0.1662	0.1662
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0265	0.302	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0212	0.2225	0.6354
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0731	1	1
Loa Loa (eye worm)	hypothetical protein	0.0731	1	1
Loa Loa (eye worm)	ctsf protein	0.0212	0.2225	0.2225
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0212	0.2225	0.6354
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0212	0.2225	0.6354
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0212	0.2225	0.6354
Schistosoma mansoni	cathepsin F (C01 family)	0.0212	0.2225	0.2225
Schistosoma mansoni	Mername-AA248 (C02 family)	0.0066	0.0039	0.0039
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0265	0.302	1
Brugia malayi	calpain family protein 1	0.0174	0.1662	0.1662
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0212	0.2225	0.6354
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0257	0.2906	0.9615
Leishmania major	cathepsin L-like protease	0.0257	0.2906	0.9615
Trypanosoma cruzi	major cysteine proteinase, putative	0.0102	0.0575	0.0575
Entamoeba histolytica	cysteine protease, putative	0.0212	0.2225	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0212	0.2225	0.6354
Brugia malayi	Cathepsin L-like precursor	0.0149	0.1281	0.1281
Leishmania major	cysteine peptidase A (CPA)	0.0212	0.2225	0.7333
Loa Loa (eye worm)	hypothetical protein	0.0212	0.2225	0.2225
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0066	0.0039	0.0039
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0257	0.2906	0.9615
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0731	1	1
Brugia malayi	Papain family cysteine protease containing protein	0.0212	0.2225	0.2225
Trypanosoma cruzi	cysteine proteinase, putative	0.0119	0.084	0.084
Brugia malayi	Cathepsin L-like precursor	0.0212	0.2225	0.2225
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0212	0.2225	0.6354
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0212	0.2225	0.6354
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0212	0.2225	0.2195
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0212	0.2225	0.6354
Loa Loa (eye worm)	calpain family protein 1	0.0128	0.0975	0.0975
Trypanosoma cruzi	calpain cysteine peptidase, putative	0.0066	0.0039	0.0039
Trypanosoma cruzi	cysteine peptidase, putative	0.0257	0.2906	0.2906
Leishmania major	cathepsin L-like protease	0.0257	0.2906	0.9615
Brugia malayi	Cathepsin L-like precursor	0.0212	0.2225	0.2225
Trypanosoma cruzi	cysteine peptidase, putative	0.0257	0.2906	0.2906
Plasmodium vivax	vivapain-2	0.0212	0.2225	1
Trypanosoma cruzi	cysteine protease, putative	0.0119	0.084	0.084
Brugia malayi	calpain 7	0.0066	0.0039	0.0039
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0212	0.2225	0.6354
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0149	0.1281	0.2022
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0257	0.2906	0.9615
Toxoplasma gondii	cathepsin B	0.0265	0.302	1
Giardia lamblia	Cathepsin B precursor	0.0265	0.302	0.5
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0731	1	1
Echinococcus granulosus	cathepsin l1	0.0212	0.2225	0.2195
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0212	0.2225	0.6354
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0731	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0119	0.084	0.2687
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0212	0.2225	0.6354
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0257	0.2906	0.9615
Echinococcus granulosus	cysteine protease	0.0119	0.084	0.0804
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0212	0.2225	0.6354
Schistosoma mansoni	cathepsin F (C01 family)	0.0149	0.1281	0.1281
Entamoeba histolytica	cysteine proteinase, putative	0.0149	0.1281	0.3182
Onchocerca volvulus	Cathepsin F homolog	0.0212	0.2225	1
Plasmodium vivax	unspecified product	0.0119	0.084	0.3774
Echinococcus granulosus	cathepsin L cysteine protease	0.0119	0.084	0.0804
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0212	0.2225	0.2195
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0174	0.1662	0.1662
Entamoeba histolytica	cysteine proteinase, putative	0.0212	0.2225	1
Loa Loa (eye worm)	cathepsin B	0.0265	0.302	0.302
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0212	0.2225	0.6354
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0212	0.2225	0.2195
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0257	0.2906	0.9615
Onchocerca volvulus	Cathepsin L homolog	0.0212	0.2225	1
Echinococcus granulosus	cathepsin b	0.0731	1	1
Schistosoma mansoni	calpain (C02 family)	0.0066	0.0039	0.0039
Echinococcus granulosus	family C2 unassigned peptidase C02 family	0.0189	0.1885	0.1854
Loa Loa (eye worm)	calpain	0.0066	0.0039	0.0039
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0212	0.2225	0.6354
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0257	0.2906	0.9615
Echinococcus multilocularis	cathepsin b	0.0731	1	1
Brugia malayi	Papain family cysteine protease containing protein	0.0119	0.084	0.084
Plasmodium vivax	calpain, putative	0.0066	0.0039	0.0174
Trypanosoma cruzi	cruzipain precursor, putative	0.0257	0.2906	0.2906
Onchocerca volvulus	Cathepsin L homolog	0.0212	0.2225	1
Echinococcus granulosus	calpain A	0.019	0.1893	0.1861
Loa Loa (eye worm)	hypothetical protein	0.0149	0.1281	0.1281
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0212	0.2225	0.2225
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0257	0.2906	0.9615
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0066	0.0039	0.0039
Loa Loa (eye worm)	hypothetical protein	0.0149	0.1281	0.1281
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0212	0.2225	0.6354
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0066	0.0039	0.0039
Loa Loa (eye worm)	hypothetical protein	0.0149	0.1281	0.1281
Giardia lamblia	Cathepsin B precursor	0.0265	0.302	0.5
Onchocerca volvulus		0.0212	0.2225	1
Leishmania major	cathepsin L-like protease	0.0257	0.2906	0.9615
Loa Loa (eye worm)	hypothetical protein	0.0154	0.1367	0.1367
Plasmodium vivax	vivapain-2	0.0212	0.2225	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0265	0.302	0.302
Giardia lamblia	Cathepsin B precursor	0.0265	0.302	0.5
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.023	0.2495	0.5
Schistosoma mansoni	calpain-7 (C02 family)	0.0066	0.0039	0.0039
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0189	0.1885	0.1885
Trypanosoma cruzi	cysteine peptidase, putative	0.0257	0.2906	0.2906
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0149	0.1281	0.2022
Trypanosoma cruzi	cysteine proteinase, putative	0.0119	0.084	0.084
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0066	0.0039	0.0039
Onchocerca volvulus		0.0212	0.2225	1
Onchocerca volvulus		0.0212	0.2225	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0212	0.2225	0.6354
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0212	0.2225	0.6354

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

ChEMBL: CHEMBL1789805

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 1571375