TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 333.362 | Formula: C19H16FN5
H donors: 0 H acceptors: 3 LogP: 3.41 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: N#Cc1nc2ccccc2nc1N1CCN(CC1)c1ccc(cc1)F
InChi: 1S/C19H16FN5/c20-14-5-7-15(8-6-14)24-9-11-25(12-10-24)19-18(13-21)22-16-3-1-2-4-17(16)23-19/h1-8H,9-12H2
InChiKey: ZORDJDICKBYKOV-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	Papain family cysteine protease containing protein	0.0164	0.0694	0.0694
Loa Loa (eye worm)	hypothetical protein	0.0151	0.0534	0.0534
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0294	0.2268	0.7498
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0294	0.2268	0.7498
Leishmania major	cathepsin L-like protease	0.0294	0.2268	0.7498
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0164	0.0694	0.0694
Entamoeba histolytica	cysteine protease, putative	0.0294	0.2268	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0294	0.2268	0.7498
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0294	0.2268	0.7498
Onchocerca volvulus		0.0294	0.2268	1
Entamoeba histolytica	cysteine proteinase, putative	0.0164	0.0694	0.0651
Echinococcus multilocularis	cysteine protease	0.0294	0.2268	0.2223
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0205	0.1195	0.0649
Giardia lamblia	Cathepsin B precursor	0.034	0.283	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0164	0.0694	0.0488
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0294	0.2268	0.7498
Echinococcus multilocularis	cysteine protease	0.0294	0.2268	0.2223
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0294	0.2268	0.7498
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0294	0.2268	0.7498
Brugia malayi	Cathepsin L-like precursor	0.0294	0.2268	0.2268
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.093	1	1
Loa Loa (eye worm)	hypothetical protein	0.093	1	1
Brugia malayi	eukaryotic initiation factor 4A	0.0155	0.0584	0.0584
Toxoplasma gondii	cathepsin B	0.034	0.283	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0294	0.2268	0.1789
Loa Loa (eye worm)	hypothetical protein	0.0205	0.1195	0.1195
Entamoeba histolytica	cysteine protease, putative	0.0164	0.0694	0.0651
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.093	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0164	0.0694	0.0488
Entamoeba histolytica	cysteine protease, putative	0.0164	0.0694	0.0651
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0294	0.2268	0.2268
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0164	0.0694	0.0116
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0294	0.2268	0.7498
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.093	1	1
Entamoeba histolytica	cysteine protease, putative	0.0164	0.0694	0.0651
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0294	0.2268	0.7498
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0112	0.0059	0.0059
Trypanosoma cruzi	cysteine peptidase, putative	0.0294	0.2268	0.1789
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.034	0.283	0.283
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0294	0.2268	0.7498
Entamoeba histolytica	cysteine proteinase, putative	0.0164	0.0694	0.0651
Plasmodium vivax	vivapain-1	0.0164	0.0694	0.0651
Trypanosoma cruzi	cruzipain precursor, putative	0.0294	0.2268	0.1789
Leishmania major	cathepsin L-like protease	0.0294	0.2268	0.7498
Loa Loa (eye worm)	cysteine protease	0.0294	0.2268	0.2268
Echinococcus granulosus	cathepsin L cysteine protease	0.0164	0.0694	0.0639
Entamoeba histolytica	cysteine proteinase, putative	0.0205	0.1195	0.3626
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0294	0.2268	0.7498
Entamoeba histolytica	cysteine proteinase, putative	0.0294	0.2268	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0294	0.2268	0.2268
Plasmodium vivax	vivapain-2	0.0294	0.2268	1
Brugia malayi	Cathepsin L-like precursor	0.0294	0.2268	0.2268
Echinococcus granulosus	eukaryotic initiation factor 4A	0.0155	0.0584	0.0528
Trypanosoma cruzi	cysteine peptidase, putative	0.0294	0.2268	0.1789
Echinococcus multilocularis	eukaryotic initiation factor 4A	0.0155	0.0584	0.0528
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0294	0.2268	0.7498
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0294	0.2268	0.7498
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0294	0.2268	1
Entamoeba histolytica	cysteine protease, putative	0.0164	0.0694	0.0651
Leishmania major	cathepsin L-like protease	0.0294	0.2268	0.7498
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0294	0.2268	0.2223
Echinococcus granulosus	cathepsin L	0.0164	0.0694	0.0639
Loa Loa (eye worm)	DEAH box polypeptide 35	0.0293	0.2256	0.2256
Leishmania major	cysteine peptidase A (CPA)	0.0294	0.2268	0.7498
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0294	0.2268	0.7498
Brugia malayi	Papain family cysteine protease containing protein	0.0164	0.0694	0.0694
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.093	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0294	0.2268	0.7498
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0205	0.1195	0.2719
Entamoeba histolytica	cysteine protease, putative	0.0164	0.0694	0.0651
Schistosoma mansoni	cathepsin F (C01 family)	0.0294	0.2268	0.2268
Leishmania major	cathepsin L-like protease	0.0294	0.2268	0.7498
Onchocerca volvulus		0.0294	0.2268	1
Entamoeba histolytica	cysteine protease, putative	0.0164	0.0694	0.0651
Entamoeba histolytica	cysteine protease, putative	0.0164	0.0694	0.0651
Onchocerca volvulus		0.0294	0.2268	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0294	0.2268	0.7498
Schistosoma mansoni	cathepsin F (C01 family)	0.0205	0.1195	0.1195
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0294	0.2268	0.7498
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0294	0.2268	0.7498
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0164	0.0694	0.0694
Loa Loa (eye worm)	hypothetical protein	0.0151	0.0534	0.0534
Schistosoma mansoni	cathepsin F (C01 family)	0.0294	0.2268	0.2268
Echinococcus multilocularis	eukaryotic initiation factor 4A III	0.0155	0.0584	0.0528
Brugia malayi	Cathepsin L-like precursor	0.0205	0.1195	0.1195
Loa Loa (eye worm)	hypothetical protein	0.0155	0.0584	0.0584
Echinococcus multilocularis	cathepsin L cysteine protease	0.0294	0.2268	0.2223
Brugia malayi	Cathepsin L-like precursor	0.0294	0.2268	0.2268
Entamoeba histolytica	cysteine proteinase 2	0.0164	0.0694	0.0651
Loa Loa (eye worm)	hypothetical protein	0.0293	0.2256	0.2256
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0205	0.1195	0.1195
Trypanosoma brucei	cysteine peptidase C (CPC)	0.034	0.283	1
Plasmodium vivax	vivapain-2	0.0294	0.2268	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0164	0.0694	0.0116
Toxoplasma gondii	cathepsin CPL	0.0294	0.2268	0.7498
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0294	0.2268	0.7498
Plasmodium vivax	unspecified product	0.0164	0.0694	0.0651
Entamoeba histolytica	cysteine proteinase 1, putative	0.0164	0.0694	0.0651
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0294	0.2268	0.7498
Entamoeba histolytica	cysteine protease, putative	0.0164	0.0694	0.0651
Leishmania major	cathepsin L-like protease	0.0294	0.2268	0.7498
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0294	0.2268	1
Entamoeba histolytica	cysteine proteinase, putative	0.0164	0.0694	0.0651
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0151	0.0534	0.0534
Loa Loa (eye worm)	fibroinase	0.0294	0.2268	0.2268
Trypanosoma cruzi	cysteine peptidase, putative	0.0294	0.2268	0.1789
Loa Loa (eye worm)	hypothetical protein	0.0294	0.2268	0.2268
Brugia malayi	Cathepsin L-like precursor	0.0294	0.2268	0.2268
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0294	0.2268	0.7498
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0164	0.0694	0.0488
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0164	0.0694	0.0694
Schistosoma mansoni	DEAD box ATP-dependent RNA helicase	0.0155	0.0584	0.0584
Brugia malayi	cathepsin L-like precursor	0.0205	0.1195	0.1195
Entamoeba histolytica	cysteine protease, putative	0.0164	0.0694	0.0651
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0205	0.1195	0.2719
Entamoeba histolytica	cysteine proteinase, putative	0.0294	0.2268	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0294	0.2268	0.7498
Giardia lamblia	Cathepsin B precursor	0.034	0.283	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.034	0.283	1
Onchocerca volvulus		0.0294	0.2268	1
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0112	0.0059	0.0059
Echinococcus granulosus	cathepsin l1	0.0294	0.2268	0.2223
Trypanosoma cruzi	cysteine proteinase, putative	0.0164	0.0694	0.0116
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.034	0.283	1
Mycobacterium tuberculosis	Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog)	0.0155	0.0584	0.5
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0294	0.2268	0.2223
Treponema pallidum	ATP-dependent RNA helicase	0.0155	0.0584	0.5
Loa Loa (eye worm)	hypothetical protein	0.0205	0.1195	0.1195
Brugia malayi	Papain family cysteine protease containing protein	0.0294	0.2268	0.2268
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0294	0.2268	0.7498
Loa Loa (eye worm)	hypothetical protein	0.0205	0.1195	0.1195
Brugia malayi	Probable ATP-dependent helicase DHX35	0.0293	0.2256	0.2256
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0294	0.2268	0.7498
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0294	0.2268	0.7498
Echinococcus granulosus	eukaryotic initiation factor 4A III	0.0155	0.0584	0.0528
Entamoeba histolytica	cysteine protease, putative	0.0164	0.0694	0.0651
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0294	0.2268	0.7498
Echinococcus granulosus	cathepsin b	0.093	1	1
Brugia malayi	Cathepsin L-like precursor	0.0294	0.2268	0.2268
Onchocerca volvulus	Eukaryotic initiation factor 4A homolog	0.0155	0.0584	0.0288
Trypanosoma cruzi	cysteine protease, putative	0.0164	0.0694	0.0116
Brugia malayi	Cathepsin L-like precursor	0.0205	0.1195	0.1195
Leishmania major	cathepsin L-like protease	0.0294	0.2268	0.7498
Echinococcus multilocularis	cathepsin b	0.093	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0294	0.2268	0.7498
Onchocerca volvulus		0.0294	0.2268	1
Onchocerca volvulus	Cathepsin L homolog	0.0294	0.2268	1
Giardia lamblia	Cathepsin B precursor	0.034	0.283	1
Brugia malayi	Cathepsin L-like precursor	0.0294	0.2268	0.2268
Echinococcus granulosus	cathepsin l1	0.0205	0.1195	0.1143
Onchocerca volvulus		0.0294	0.2268	1
Entamoeba histolytica	cysteine protease, putative	0.0164	0.0694	0.0651
Onchocerca volvulus	Cathepsin L homolog	0.0294	0.2268	1
Entamoeba histolytica	cysteine proteinase, putative	0.0164	0.0694	0.0651
Trypanosoma cruzi	cysteine proteinase, putative	0.0164	0.0694	0.0116
Onchocerca volvulus		0.0205	0.1195	0.381
Plasmodium vivax	vivapain-3	0.0164	0.0694	0.0651
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0151	0.0534	0.0534
Loa Loa (eye worm)	ctsf protein	0.0294	0.2268	0.2268
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0294	0.2268	0.7498
Leishmania major	cathepsin L-like protease	0.0294	0.2268	0.7498
Entamoeba histolytica	cysteine protease, putative	0.0164	0.0694	0.0651
Echinococcus granulosus	cathepsin b	0.093	1	1
Onchocerca volvulus	Cathepsin F homolog	0.0294	0.2268	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0294	0.2268	0.7498
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.093	1	1
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0164	0.0694	0.0651
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0294	0.2268	0.7498
Loa Loa (eye worm)	cathepsin B	0.034	0.283	0.283
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.034	0.283	0.2386
Schistosoma mansoni	DEAD box ATP-dependent RNA helicase	0.0155	0.0584	0.0584
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0294	0.2268	0.7498
Echinococcus granulosus	cysteine protease	0.0164	0.0694	0.0639
Leishmania major	cathepsin L-like protease	0.0294	0.2268	0.7498
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0294	0.2268	0.7498
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0294	0.2268	0.7498
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0294	0.2268	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0294	0.2268	0.7498
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0294	0.2268	0.2223
Entamoeba histolytica	cysteine protease, putative	0.0164	0.0694	0.0651
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0164	0.0694	0.0488
Onchocerca volvulus		0.0294	0.2268	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0294	0.2268	0.2223
Brugia malayi	Trypsin family protein	0.0151	0.0534	0.0534
Echinococcus multilocularis	cathepsin L cysteine protease	0.0294	0.2268	0.2223
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0294	0.2268	0.7498
Echinococcus multilocularis	cathepsin b	0.093	1	1
Echinococcus multilocularis	cathepsin L	0.0164	0.0694	0.0639
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0294	0.2268	0.7498

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (functional)	= 21.4 %	Tested for the antagonistic activity against 5-hydroxytryptamine 3 receptor from guinea pig ileum	ChEMBL.	8410988
Inhibition (functional)	= 21.4 %	Tested for the antagonistic activity against 5-hydroxytryptamine 3 receptor from guinea pig ileum	ChEMBL.	8410988

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 153839