TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 306.334 | Formula: C19H15FN2O
H donors: 2 H acceptors: 1 LogP: 4.74 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: O/N=C(\c1ccccc1c1ccccc1)/Nc1ccc(cc1)F
InChi: 1S/C19H15FN2O/c20-15-10-12-16(13-11-15)21-19(22-23)18-9-5-4-8-17(18)14-6-2-1-3-7-14/h1-13,23H,(H,21,22)
InChiKey: POPNISUCQUYUDA-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
Trypanosoma cruzi	cysteine peptidase, putative	0.0022	0.0996	0.8507
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.003	0.1618	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.076	0.6129
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0022	0.0996	0.3199
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.076	0.6129
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0019	0.076	0.0354
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.076	0.6129
Entamoeba histolytica	cysteine protease, putative	0.0012	0.0153	0.0741
Echinococcus multilocularis	bloom syndrome protein	0.0045	0.279	1
Leishmania major	cathepsin L-like protease	0.0022	0.0996	0.6144
Brugia malayi	Bloom's syndrome protein homolog	0.0045	0.279	1
Brugia malayi	Cathepsin L-like precursor	0.0015	0.0421	0.1018
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0022	0.0996	0.382
Leishmania major	cathepsin L-like protease	0.0022	0.0996	0.6144
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.076	0.6129
Trypanosoma cruzi	DNA polymerase eta, putative	0.0019	0.076	0.6129
Entamoeba histolytica	cysteine proteinase, putative	0.0015	0.0421	0.2044
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0996	0.3199
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0996	0.3199
Loa Loa (eye worm)	ctsf protein	0.0022	0.0996	0.06
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0022	0.0996	0.3199
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0022	0.0996	0.8507
Entamoeba histolytica	cysteine protease, putative	0.0012	0.0153	0.0741
Onchocerca volvulus	Cathepsin L homolog	0.0022	0.0996	1
Brugia malayi	cathepsin L-like precursor	0.0015	0.0421	0.1018
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0022	0.0996	0.3199
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0012	0.0153	0.0741
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0022	0.0996	0.8507
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0019	0.076	0.3691
Trypanosoma brucei	unspecified product	0.0013	0.0294	0.1421
Trypanosoma brucei	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0024	0.1144	1
Loa Loa (eye worm)	fibroinase	0.0022	0.0996	0.06
Entamoeba histolytica	cysteine proteinase, putative	0.0022	0.0996	0.4836
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0022	0.0996	0.3199
Brugia malayi	Papain family cysteine protease containing protein	0.0022	0.0996	0.3199
Echinococcus multilocularis	ATP dependent DNA helicase Q5	0.0019	0.0715	0.2133
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.076	0.6129
Entamoeba histolytica	cysteine protease, putative	0.0012	0.0153	0.0741
Echinococcus multilocularis	cysteine protease	0.0022	0.0996	0.3199
Leishmania major	cathepsin L-like protease	0.0022	0.0996	0.6144
Entamoeba histolytica	cysteine protease, putative	0.0012	0.0153	0.0741
Trypanosoma cruzi	cysteine peptidase, putative	0.0022	0.0996	0.8507
Brugia malayi	Cathepsin L-like precursor	0.0022	0.0996	0.3199
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.206	0.7232
Entamoeba histolytica	cysteine proteinase 2	0.0012	0.0153	0.0741
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0996	0.3199
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0015	0.0421	0.1018
Entamoeba histolytica	cysteine proteinase, putative	0.0012	0.0153	0.0741
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.076	0.6129
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.206	0.7232
Plasmodium falciparum	ADP-dependent DNA helicase RecQ	0.004	0.2361	1
Entamoeba histolytica	cysteine protease, putative	0.0012	0.0153	0.0741
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0019	0.076	0.2304
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0022	0.0996	0.8507
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.076	0.6129
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0996	0.3199
Trichomonas vaginalis	DNA helicase recq, putative	0.0045	0.279	1
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.076	0.5
Trypanosoma cruzi	cysteine peptidase, putative	0.0022	0.0996	0.8507
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0996	0.3199
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.076	0.6129
Giardia lamblia	DINP protein human, muc B family	0.0019	0.076	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0022	0.0996	0.8507
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0019	0.076	0.2304
Schistosoma mansoni	hypothetical protein	0.0036	0.206	1
Entamoeba histolytica	cysteine protease, putative	0.0012	0.0153	0.0741
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0022	0.0996	0.3199
Onchocerca volvulus	Cathepsin L homolog	0.0022	0.0996	1
Entamoeba histolytica	hypothetical protein	0.0036	0.206	1
Echinococcus multilocularis	cysteine protease	0.0022	0.0996	0.3199
Schistosoma mansoni	DNA helicase recq1	0.0019	0.0715	0.3471
Echinococcus granulosus	ATP dependent DNA helicase Q1	0.0019	0.0715	0.2133
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0022	0.0996	0.382
Loa Loa (eye worm)	RecQ helicase	0.0045	0.279	0.2473
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0022	0.0996	0.8507
Leishmania major	cathepsin L-like protease	0.0022	0.0996	0.6144
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0022	0.0996	0.3199
Entamoeba histolytica	cysteine protease, putative	0.0012	0.0153	0.0741
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0022	0.0996	0.3199
Trypanosoma brucei	unspecified product	0.0019	0.076	0.6129
Trichomonas vaginalis	DNA helicase recq1, putative	0.0045	0.279	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0013	0.0294	0.1421
Echinococcus multilocularis	ATP dependent DNA helicase Q1	0.0019	0.0715	0.2133
Echinococcus granulosus	dna polymerase kappa	0.0019	0.076	0.2304
Entamoeba histolytica	cysteine protease, putative	0.0012	0.0153	0.0741
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0996	0.3199
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.076	0.6129
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.076	0.6129
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0022	0.0996	0.3199
Trypanosoma brucei	DNA polymerase kappa, putative	0.0013	0.0294	0.1421
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0996	0.3199
Onchocerca volvulus		0.0022	0.0996	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0022	0.0996	0.8507
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0022	0.0996	0.3199
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.076	0.6129
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.0019	0.0715	0.2133
Toxoplasma gondii	cathepsin CPL	0.0022	0.0996	0.6159
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0022	0.0996	0.3199
Brugia malayi	Cathepsin L-like precursor	0.0022	0.0996	0.3199
Leishmania major	cathepsin L-like protease	0.0022	0.0996	0.6144
Leishmania major	cathepsin L-like protease	0.0022	0.0996	0.6144
Schistosoma mansoni	cathepsin F (C01 family)	0.0015	0.0421	0.2044
Schistosoma mansoni	blooms syndrome DNA helicase	0.0036	0.2047	0.9934
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0996	0.3199
Brugia malayi	hypothetical protein	0.0036	0.206	0.7232
Echinococcus multilocularis	dna polymerase eta	0.0019	0.076	0.2304
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0012	0.0153	0.0741
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0022	0.0996	0.8507
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.0019	0.0715	0.2133
Plasmodium vivax	vivapain-2	0.0022	0.0996	0.565
Echinococcus granulosus	dna polymerase eta	0.0019	0.076	0.2304
Schistosoma mansoni	cathepsin F (C01 family)	0.0022	0.0996	0.4836
Onchocerca volvulus		0.0022	0.0996	1
Entamoeba histolytica	recQ family helicase, putative	0.0024	0.1144	0.5554
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0019	0.076	0.3691
Trypanosoma brucei	DNA polymerase kappa, putative	0.0013	0.0294	0.1421
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0022	0.0996	0.8507
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.076	0.5
Entamoeba histolytica	cysteine protease, putative	0.0012	0.0153	0.0741
Echinococcus multilocularis	cathepsin L cysteine protease	0.0022	0.0996	0.3199
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.076	0.6129
Brugia malayi	Cathepsin L-like precursor	0.0022	0.0996	0.3199
Leishmania major	cathepsin L-like protease	0.0022	0.0996	0.6144
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0022	0.0996	0.3199
Echinococcus granulosus	bloom syndrome protein	0.0045	0.279	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0022	0.0996	0.8507
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0022	0.0996	0.8507
Loa Loa (eye worm)	cysteine protease	0.0022	0.0996	0.06
Entamoeba histolytica	cysteine protease, putative	0.0012	0.0153	0.0741
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.076	0.6129
Schistosoma mansoni	DNA polymerase eta	0.0019	0.076	0.3691
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0022	0.0996	0.8507
Plasmodium falciparum	ATP-dependent DNA helicase Q1	0.0019	0.0715	0.2547
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0019	0.076	0.5
Trypanosoma brucei	unspecified product	0.0013	0.0294	0.1421
Schistosoma mansoni	cathepsin F (C01 family)	0.0022	0.0996	0.4836
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0996	0.3199
Trypanosoma cruzi	cysteine peptidase, putative	0.0022	0.0996	0.8507
Plasmodium vivax	ADP-dependent DNA helicase RecQ, putative	0.0031	0.1646	1
Loa Loa (eye worm)	ATP-dependent DNA helicase	0.0019	0.0715	0.0307
Onchocerca volvulus		0.0022	0.0996	1
Brugia malayi	Cathepsin L-like precursor	0.0015	0.0421	0.1018
Echinococcus multilocularis	dna polymerase kappa	0.0019	0.076	0.2304
Entamoeba histolytica	cysteine proteinase, putative	0.0022	0.0996	0.4836
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0996	0.3199
Entamoeba histolytica	cysteine proteinase 1, putative	0.0012	0.0153	0.0741
Onchocerca volvulus	Cathepsin F homolog	0.0022	0.0996	1
Trichomonas vaginalis	DNA polymerase eta, putative	0.0019	0.076	0.2304
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.076	0.6129
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0715	0.0307
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.076	0.6129
Onchocerca volvulus		0.0022	0.0996	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0022	0.0996	0.06
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0996	0.3199
Trypanosoma brucei	DNA polymerase eta, putative	0.0019	0.076	0.6129
Brugia malayi	Cathepsin L-like precursor	0.0022	0.0996	0.3199
Entamoeba histolytica	cysteine proteinase, putative	0.0012	0.0153	0.0741
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0022	0.0996	0.3199
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0996	0.3199
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0019	0.0715	0.4422
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0996	0.06
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.206	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0022	0.0996	0.3199
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0996	0.3199
Entamoeba histolytica	cysteine protease, putative	0.0012	0.0153	0.0741
Trypanosoma cruzi	cruzipain precursor, putative	0.0022	0.0996	0.8507
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0019	0.076	0.3691
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0022	0.0996	0.382
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0019	0.076	0.2304
Entamoeba histolytica	cysteine protease, putative	0.0022	0.0996	0.4836
Trypanosoma cruzi	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0024	0.1144	1
Entamoeba histolytica	cysteine protease, putative	0.0012	0.0153	0.0741
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0015	0.0421	0.1018
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0022	0.0996	0.3199
Schistosoma mansoni	DNA helicase recq5	0.0019	0.0715	0.3471
Entamoeba histolytica	hypothetical protein	0.0036	0.206	1
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0019	0.0715	0.4422
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0022	0.0996	0.06
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0015	0.0421	0.2707
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.076	0.2304
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.076	0.6129
Entamoeba histolytica	hypothetical protein	0.0036	0.206	1
Leishmania major	cysteine peptidase A (CPA)	0.0022	0.0996	0.6144
Onchocerca volvulus		0.0022	0.0996	1
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.076	0.2304
Onchocerca volvulus		0.0022	0.0996	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0019	0.076	0.5
Onchocerca volvulus		0.0022	0.0996	1
Brugia malayi	Cathepsin L-like precursor	0.0022	0.0996	0.3199
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0996	0.3199
Brugia malayi	Cathepsin L-like precursor	0.0022	0.0996	0.3199
Plasmodium vivax	vivapain-2	0.0022	0.0996	0.565
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0012	0.0153	0.0741
Echinococcus granulosus	ATP dependent DNA helicase Q5	0.0019	0.0715	0.2133
Leishmania major	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0024	0.1144	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0015	0.0421	0.1018
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0022	0.0996	0.3199
Trichomonas vaginalis	DNA helicase recq, putative	0.0024	0.1144	0.376
Treponema pallidum	ATP-dependent DNA helicase	0.001	0	0.5
Entamoeba histolytica	cysteine proteinase, putative	0.0012	0.0153	0.0741
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.076	0.6129
Leishmania major	cathepsin L-like protease	0.0022	0.0996	0.6144
Loa Loa (eye worm)	hypothetical protein	0.0019	0.076	0.0354
Entamoeba histolytica	cysteine proteinase, putative	0.0012	0.0153	0.0741
Echinococcus granulosus	cathepsin l1	0.0015	0.0421	0.1018
Echinococcus granulosus	cathepsin l1	0.0022	0.0996	0.3199
Entamoeba histolytica	cysteine protease, putative	0.0012	0.0153	0.0741
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0022	0.0996	0.3199
Entamoeba histolytica	hypothetical protein	0.0036	0.206	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 3.46 ug/ml	DNDI: Inhibition of Human African Trypanosomiasis, SBRI 427, in vitro	ChEMBL.	No reference
IC50	> 50 ug/ml	DNDI: Cytotoxicity against L929 mouse fibroblasts, CYTO-SP, 24 hour	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Trypanosoma brucei gambiense
Trypanosoma brucei	ChEMBL23

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: CHEMBL1862720

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 1042164