TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 247.251 | Formula: C15H9N3O
H donors: 1 H acceptors: 3 LogP: 1.84 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: N#Cc1ccc2c(c1)c(=O)cc([nH]2)c1cccnc1
InChi: 1S/C15H9N3O/c16-8-10-3-4-13-12(6-10)15(19)7-14(18-13)11-2-1-5-17-9-11/h1-7,9H,(H,18,19)
InChiKey: HKAKNYQSJOLPPY-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
Brugia malayi	Cathepsin L-like precursor	0.074	0.7223	0.7223
Loa Loa (eye worm)	hypothetical protein	0.0158	0.1299	0.1299
Brugia malayi	cathepsin F-like cysteine proteinase	0.0236	0.2091	0.2091
Leishmania major	cathepsin L-like protease	0.074	0.7223	1
Loa Loa (eye worm)	hypothetical protein	0.0504	0.4822	0.4822
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0394	0.3701	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.074	0.7223	1
Loa Loa (eye worm)	ctsf protein	0.074	0.7223	0.7223
Entamoeba histolytica	cysteine proteinase, putative	0.0394	0.3701	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.074	0.7223	1
Plasmodium vivax	vivapain-2	0.074	0.7223	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.074	0.7223	0.6808
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0158	0.1299	0.1299
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0422	0.399	0.4543
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.074	0.7223	1
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0236	0.2091	0.2091
Brugia malayi	cathepsin L-like precursor	0.0504	0.4822	0.4822
Echinococcus granulosus	cathepsin L cysteine proteinase	0.074	0.7223	0.6808
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.074	0.7223	1
Brugia malayi	Cathepsin L-like precursor	0.074	0.7223	0.7223
Leishmania major	cathepsin L-like protease	0.074	0.7223	1
Echinococcus granulosus	cathepsin b	0.1013	1	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.1013	1	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0158	0.1299	0.1299
Onchocerca volvulus	Cathepsin L homolog	0.074	0.7223	1
Onchocerca volvulus		0.074	0.7223	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0422	0.399	0.3093
Trypanosoma cruzi	cysteine protease, putative	0.0394	0.3701	0.276
Plasmodium vivax	vivapain-3	0.0394	0.3701	0.4054
Echinococcus multilocularis	cathepsin b	0.1013	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.074	0.7223	1
Entamoeba histolytica	cysteine protease, putative	0.0394	0.3701	0.4054
Entamoeba histolytica	cysteine protease, putative	0.0394	0.3701	0.4054
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1013	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.074	0.7223	0.6808
Loa Loa (eye worm)	hypothetical protein	0.0236	0.2091	0.2091
Loa Loa (eye worm)	hypothetical protein	0.0158	0.1299	0.1299
Leishmania major	cathepsin L-like protease	0.074	0.7223	1
Brugia malayi	Cathepsin L-like precursor	0.074	0.7223	0.7223
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.074	0.7223	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.074	0.7223	1
Echinococcus granulosus	cathepsin L cysteine protease	0.0394	0.3701	0.276
Entamoeba histolytica	cysteine protease, putative	0.0394	0.3701	0.4054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.074	0.7223	1
Echinococcus multilocularis	cysteine protease	0.074	0.7223	0.6808
Echinococcus granulosus	cysteine protease	0.0394	0.3701	0.276
Plasmodium falciparum	cysteine proteinase falcipain 3	0.074	0.7223	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.074	0.7223	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0504	0.4822	0.5946
Giardia lamblia	Cathepsin B precursor	0.0422	0.399	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.074	0.7223	1
Onchocerca volvulus		0.0504	0.4822	0.5946
Brugia malayi	fibroinase precursor	0.0158	0.1299	0.1299
Loa Loa (eye worm)	hypothetical protein	0.0236	0.2091	0.2091
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.074	0.7223	1
Onchocerca volvulus		0.074	0.7223	1
Onchocerca volvulus		0.074	0.7223	1
Trypanosoma cruzi	cysteine peptidase, putative	0.074	0.7223	0.6808
Onchocerca volvulus		0.074	0.7223	1
Entamoeba histolytica	cysteine protease, putative	0.0394	0.3701	0.4054
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.074	0.7223	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.074	0.7223	1
Loa Loa (eye worm)	hypothetical protein	0.0504	0.4822	0.4822
Entamoeba histolytica	cysteine protease, putative	0.0394	0.3701	0.4054
Loa Loa (eye worm)	fibroinase	0.074	0.7223	0.7223
Onchocerca volvulus		0.074	0.7223	1
Echinococcus multilocularis	cathepsin b	0.1013	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0394	0.3701	0.4054
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0422	0.399	0.3093
Leishmania major	cathepsin L-like protease	0.074	0.7223	1
Entamoeba histolytica	cysteine protease, putative	0.0394	0.3701	0.4054
Brugia malayi	Cathepsin L-like precursor	0.0504	0.4822	0.4822
Brugia malayi	Papain family cysteine protease containing protein	0.074	0.7223	0.7223
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.074	0.7223	1
Entamoeba histolytica	cysteine protease, putative	0.0394	0.3701	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.074	0.7223	1
Entamoeba histolytica	cysteine proteinase 1, putative	0.0394	0.3701	0.4054
Schistosoma mansoni	cathepsin F (C01 family)	0.0504	0.4822	0.4048
Brugia malayi	Cathepsin L-like precursor	0.0504	0.4822	0.4822
Trypanosoma cruzi	cysteine peptidase, putative	0.074	0.7223	0.6808
Leishmania major	cysteine peptidase A (CPA)	0.074	0.7223	1
Echinococcus multilocularis	cathepsin L	0.0394	0.3701	0.276
Trypanosoma cruzi	cruzipain precursor, putative	0.0236	0.2091	0.091
Giardia lamblia	Cathepsin B precursor	0.0422	0.399	1
Echinococcus granulosus	cathepsin l1	0.0504	0.4822	0.4048
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0158	0.1299	0.1299
Echinococcus multilocularis	cysteine protease	0.074	0.7223	0.6808
Loa Loa (eye worm)	cysteine proteinase cathepsin Z	0.0158	0.1299	0.1299
Entamoeba histolytica	cysteine proteinase, putative	0.074	0.7223	1
Entamoeba histolytica	cysteine proteinase, putative	0.0504	0.4822	0.5946
Trypanosoma cruzi	cysteine proteinase, putative	0.0394	0.3701	0.276
Schistosoma mansoni	cathepsin F (C01 family)	0.074	0.7223	0.6808
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0394	0.3701	0.276
Onchocerca volvulus		0.074	0.7223	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.074	0.7223	0.6808
Brugia malayi	cathepsin L-like cysteine proteinase	0.0158	0.1299	0.1299
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0504	0.4822	0.5946
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0236	0.2091	0.2091
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0394	0.3701	0.276
Brugia malayi	Papain family cysteine protease containing protein	0.0394	0.3701	0.3701
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0504	0.4822	0.4822
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.074	0.7223	1
Entamoeba histolytica	cysteine protease, putative	0.0394	0.3701	0.4054
Entamoeba histolytica	cysteine protease, putative	0.0394	0.3701	0.4054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.074	0.7223	1
Brugia malayi	Papain family cysteine protease containing protein	0.0158	0.1299	0.1299
Leishmania major	cathepsin L-like protease	0.074	0.7223	1
Loa Loa (eye worm)	hypothetical protein	0.0158	0.1299	0.1299
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.074	0.7223	1
Onchocerca volvulus	Cathepsin F homolog	0.074	0.7223	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.074	0.7223	0.6808
Brugia malayi	Papain family cysteine protease containing protein	0.0158	0.1299	0.1299
Trypanosoma cruzi	cysteine peptidase, putative	0.0394	0.3701	0.276
Entamoeba histolytica	cysteine protease, putative	0.0394	0.3701	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.074	0.7223	1
Loa Loa (eye worm)	cathepsin B	0.0422	0.399	0.399
Plasmodium vivax	unspecified product	0.0236	0.2091	0.1337
Schistosoma mansoni	cathepsin F (C01 family)	0.074	0.7223	0.6808
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.074	0.7223	1
Onchocerca volvulus		0.074	0.7223	1
Loa Loa (eye worm)	hypothetical protein	0.074	0.7223	0.7223
Toxoplasma gondii	cathepsin B	0.0422	0.399	0.4543
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.074	0.7223	1
Loa Loa (eye worm)	hypothetical protein	0.0158	0.1299	0.1299
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.074	0.7223	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.074	0.7223	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0394	0.3701	0.4054
Schistosoma mansoni	cathepsin s	0.0236	0.2091	0.091
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.074	0.7223	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0394	0.3701	0.276
Trypanosoma cruzi	cysteine peptidase, putative	0.0236	0.2091	0.091
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.074	0.7223	1
Brugia malayi	Cathepsin L-like precursor	0.074	0.7223	0.7223
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0394	0.3701	0.4054
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0504	0.4822	0.4048
Entamoeba histolytica	cysteine proteinase, putative	0.074	0.7223	1
Onchocerca volvulus	Cathepsin L homolog	0.074	0.7223	1
Entamoeba histolytica	cysteine protease, putative	0.0394	0.3701	0.4054
Brugia malayi	cathepsin F-like cysteine proteinase	0.0158	0.1299	0.1299
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.1013	1	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.074	0.7223	0.7223
Echinococcus multilocularis	cathepsin L cysteine protease	0.074	0.7223	0.6808
Loa Loa (eye worm)	hypothetical protein	0.0236	0.2091	0.2091
Giardia lamblia	Cathepsin B precursor	0.0422	0.399	1
Entamoeba histolytica	cysteine proteinase 2	0.0394	0.3701	0.4054
Echinococcus granulosus	cathepsin b	0.1013	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.074	0.7223	1
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0158	0.1299	0.1299
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.074	0.7223	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.074	0.7223	1
Brugia malayi	Cathepsin L-like precursor	0.074	0.7223	0.7223
Toxoplasma gondii	cathepsin CPL	0.074	0.7223	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.074	0.7223	1
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0422	0.399	0.0822
Entamoeba histolytica	cysteine protease, putative	0.074	0.7223	1
Entamoeba histolytica	cysteine proteinase, putative	0.0394	0.3701	0.4054
Entamoeba histolytica	cysteine protease, putative	0.0394	0.3701	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.074	0.7223	1
Loa Loa (eye worm)	hypothetical protein	0.0158	0.1299	0.1299
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0394	0.3701	0.276
Plasmodium vivax	vivapain-1	0.0394	0.3701	0.4054
Leishmania major	cathepsin L-like protease	0.074	0.7223	1
Loa Loa (eye worm)	hypothetical protein	0.0158	0.1299	0.1299
Entamoeba histolytica	cysteine protease, putative	0.0394	0.3701	0.4054
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.074	0.7223	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.074	0.7223	1
Entamoeba histolytica	cysteine proteinase, putative	0.0394	0.3701	0.4054
Loa Loa (eye worm)	hypothetical protein	0.1013	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.074	0.7223	0.6808
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.074	0.7223	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1013	1	1
Brugia malayi	Cathepsin L-like precursor	0.074	0.7223	0.7223
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.074	0.7223	1
Loa Loa (eye worm)	cysteine protease	0.074	0.7223	0.7223
Trypanosoma cruzi	cysteine proteinase, putative	0.0394	0.3701	0.276
Leishmania major	cathepsin L-like protease	0.074	0.7223	1
Brugia malayi	Papain family cysteine protease containing protein	0.0158	0.1299	0.1299
Plasmodium vivax	unspecified product	0.0394	0.3701	0.4054
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.074	0.7223	0.6808
Brugia malayi	cahepsin L-like non-peptiedase homolog	0.0158	0.1299	0.1299
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.074	0.7223	0.7223
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.074	0.7223	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.074	0.7223	1
Plasmodium vivax	vivapain-2	0.074	0.7223	1
Brugia malayi	Cathepsin L-like precursor	0.0236	0.2091	0.2091
Brugia malayi	Papain family cysteine protease containing protein	0.0394	0.3701	0.3701
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.074	0.7223	1
Leishmania major	cathepsin L-like protease	0.074	0.7223	1
Brugia malayi	cathepsin L precursor	0.0158	0.1299	0.1299
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.074	0.7223	1
Echinococcus granulosus	cathepsin l1	0.074	0.7223	0.6808
Trypanosoma cruzi	cruzipain precursor, putative	0.074	0.7223	0.6808
Echinococcus granulosus	cathepsin L	0.0394	0.3701	0.276
Loa Loa (eye worm)	hypothetical protein	0.0504	0.4822	0.4822
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1013	1	1

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: CHEMBL1645502

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 1461494