TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 323.318 | Formula: C14H11F2N3O2S
H donors: 2 H acceptors: 4 LogP: 2.16 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: CSc1nc(O)c2c(n1)NC(=O)CC2c1ccc(cc1F)F
InChi: 1S/C14H11F2N3O2S/c1-22-14-18-12-11(13(21)19-14)8(5-10(20)17-12)7-3-2-6(15)4-9(7)16/h2-4,8H,5H2,1H3,(H2,17,18,19,20,21)
InChiKey: LAACZRNAMVMONV-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)	hypothetical protein	0.0039	0.0544	0.0544
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0108	0.2141	0.2141
Echinococcus multilocularis	cathepsin L cysteine protease	0.0108	0.2141	0.2141
Schistosoma mansoni	cathepsin F (C01 family)	0.0108	0.2141	0.2141
Brugia malayi	Cathepsin L-like precursor	0.0108	0.2141	0.2141
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0108	0.2141	0.5461
Trypanosoma cruzi	cysteine peptidase, putative	0.0108	0.2141	0.2141
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0108	0.2141	0.6173
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0165	0.3468	1
Echinococcus granulosus	cathepsin L cysteine protease	0.0039	0.0544	0.0544
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0544	0.0544
Trypanosoma cruzi	major cysteine proteinase, putative	0.0039	0.0544	0.0544
Onchocerca volvulus	Cathepsin L homolog	0.0108	0.2141	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0039	0.0544	0.0544
Plasmodium vivax	vivapain-2	0.0108	0.2141	1
Giardia lamblia	Cathepsin B precursor	0.0165	0.3468	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0039	0.0544	0.0544
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0447	1	1
Plasmodium falciparum	serine repeat antigen 4	0.0039	0.0544	0.254
Onchocerca volvulus		0.0108	0.2141	1
Echinococcus granulosus	cathepsin l1	0.0108	0.2141	0.2141
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0108	0.2141	0.2141
Brugia malayi	Papain family cysteine protease containing protein	0.0039	0.0544	0.0544
Leishmania major	cathepsin L-like protease	0.0108	0.2141	0.6173
Echinococcus granulosus	cathepsin L	0.0039	0.0544	0.0544
Loa Loa (eye worm)	fibroinase	0.0108	0.2141	0.2141
Onchocerca volvulus	Cathepsin L homolog	0.0108	0.2141	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0108	0.2141	0.6173
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0039	0.0544	0.0544
Loa Loa (eye worm)	hypothetical protein	0.0108	0.2141	0.2141
Brugia malayi	Cathepsin L-like precursor	0.0108	0.2141	0.2141
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0108	0.2141	0.6173
Schistosoma mansoni	cathepsin C	0.0039	0.0544	0.0544
Loa Loa (eye worm)	ctsf protein	0.0108	0.2141	0.2141
Plasmodium vivax	dipeptidyl aminopeptidase 3, putative	0.0039	0.0544	0.254
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0544	0.0544
Plasmodium vivax	serine-repeat antigen 4 (SERA)	0.0039	0.0544	0.254
Brugia malayi	cahepsin L-like non-peptiedase homolog	0.0039	0.0544	0.0544
Trypanosoma cruzi	cysteine protease, putative	0.0039	0.0544	0.0544
Loa Loa (eye worm)	cysteine protease	0.0108	0.2141	0.2141
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0108	0.2141	0.5461
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0039	0.0544	0.0544
Brugia malayi	Cathepsin L-like precursor	0.0108	0.2141	0.2141
Giardia lamblia	Cathepsin B precursor	0.0165	0.3468	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0039	0.0544	0.0544
Plasmodium vivax	vivapain-1	0.0039	0.0544	0.254
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0108	0.2141	0.6173
Plasmodium vivax	serine-repeat antigen (SERA), putative	0.0039	0.0544	0.254
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0108	0.2141	0.5461
Trypanosoma cruzi	cysteine proteinase, putative	0.0039	0.0544	0.0544
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0015	0	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0108	0.2141	0.5461
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0108	0.2141	0.5461
Trypanosoma cruzi	cysteine peptidase, putative	0.0108	0.2141	0.2141
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0039	0.0544	0.1568
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0165	0.3468	0.3468
Plasmodium falciparum	serine repeat antigen 1	0.0039	0.0544	0.254
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0108	0.2141	0.6173
Plasmodium falciparum	serine repeat antigen 9	0.0039	0.0544	0.254
Brugia malayi	cathepsin L-like cysteine proteinase	0.0039	0.0544	0.0544
Onchocerca volvulus		0.0108	0.2141	1
Echinococcus granulosus	cathepsin L	0.0039	0.0544	0.0544
Giardia lamblia	Cathepsin B precursor	0.0165	0.3468	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0108	0.2141	1
Loa Loa (eye worm)	hypothetical protein	0.0108	0.2141	0.2141
Plasmodium vivax	dipeptidyl aminopeptidase 1, putative	0.0039	0.0544	0.254
Trypanosoma cruzi	cysteine peptidase, putative	0.0108	0.2141	0.2141
Plasmodium falciparum	serine repeat antigen 5	0.0039	0.0544	0.254
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0108	0.2141	0.5461
Loa Loa (eye worm)	hypothetical protein	0.0108	0.2141	0.2141
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0039	0.0544	0.0544
Toxoplasma gondii	cathepsin CPC2	0.0039	0.0544	0.1568
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0108	0.2141	0.5461
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0108	0.2141	0.5461
Loa Loa (eye worm)	hypothetical protein	0.0108	0.2141	0.2141
Leishmania major	cathepsin L-like protease	0.0108	0.2141	0.6173
Brugia malayi	Papain family cysteine protease containing protein	0.0039	0.0544	0.0544
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0108	0.2141	0.5461
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0544	0.0544
Leishmania major	cathepsin L-like protease	0.0108	0.2141	0.6173
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0108	0.2141	0.5461
Echinococcus granulosus	cathepsin b	0.0447	1	1
Plasmodium vivax	unspecified product	0.0039	0.0544	0.254
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0108	0.2141	0.2141
Schistosoma mansoni	cathepsin F (C01 family)	0.0108	0.2141	0.2141
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0108	0.2141	0.5461
Onchocerca volvulus		0.0108	0.2141	1
Plasmodium falciparum	serine repeat antigen 6	0.0039	0.0544	0.254
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0108	0.2141	1
Plasmodium vivax	serine-repeat antigen (SERA), putative	0.0039	0.0544	0.254
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0447	1	1
Loa Loa (eye worm)	cysteine proteinase cathepsin Z	0.0039	0.0544	0.0544
Trypanosoma cruzi	major cysteine proteinase, putative	0.0039	0.0544	0.0544
Onchocerca volvulus		0.0108	0.2141	1
Schistosoma mansoni	dipeptidyl-peptidase I (C01 family)	0.0039	0.0544	0.0544
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0108	0.2141	0.2141
Loa Loa (eye worm)	hypothetical protein	0.0447	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0039	0.0544	0.1568
Echinococcus multilocularis	cathepsin b	0.0447	1	1
Schistosoma mansoni	cathepsin B (C01 family)	0.0039	0.0544	0.0544
Brugia malayi	Papain family cysteine protease containing protein	0.0039	0.0544	0.0544
Leishmania major	cysteine peptidase A (CPA)	0.0108	0.2141	0.6173
Plasmodium vivax	serine-repeat antigen (SERA)	0.0039	0.0544	0.254
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0447	1	1
Onchocerca volvulus		0.0108	0.2141	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0039	0.0544	0.0544
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0108	0.2141	0.2141
Brugia malayi	fibroinase precursor	0.0039	0.0544	0.0544
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0165	0.3468	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0108	0.2141	0.2141
Schistosoma mansoni	subfamily C1A non-peptidase homologue (C01 family)	0.0039	0.0544	0.0544
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0039	0.0544	0.0544
Plasmodium falciparum	serine repeat antigen 8	0.0039	0.0544	0.254
Schistosoma mansoni	cathepsin S (C01 family)	0.0039	0.0544	0.0544
Leishmania major	cathepsin L-like protease	0.0108	0.2141	0.6173
Plasmodium vivax	serine-repeat antigen 5 (SERA)	0.0039	0.0544	0.254
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0108	0.2141	0.5461
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0108	0.2141	0.5461
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0108	0.2141	0.5461
Leishmania major	cathepsin L-like protease	0.0108	0.2141	0.6173
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0108	0.2141	0.5461
Brugia malayi	cathepsin L-like precursor	0.0108	0.2141	0.2141
Loa Loa (eye worm)	cathepsin B	0.0165	0.3468	0.3468
Echinococcus multilocularis	cysteine protease	0.0108	0.2141	0.2141
Plasmodium falciparum	serine repeat antigen 3	0.0039	0.0544	0.254
Plasmodium vivax	vivapain-2	0.0108	0.2141	1
Plasmodium vivax	serine-repeat antigen 3 (SERA)	0.0039	0.0544	0.254
Onchocerca volvulus		0.0108	0.2141	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0108	0.2141	0.2141
Schistosoma mansoni	cathepsin F (C01 family)	0.0108	0.2141	0.2141
Trypanosoma cruzi	cysteine peptidase, putative	0.0039	0.0544	0.0544
Plasmodium vivax	serine-repeat antigen 2 (SERA)	0.0039	0.0544	0.254
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0108	0.2141	0.6173
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0108	0.2141	0.5461
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0108	0.2141	0.5461
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0039	0.0544	0.0544
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0108	0.2141	0.5461
Plasmodium vivax	dipeptidyl aminopeptidase 2, putative	0.0039	0.0544	0.254
Brugia malayi	Cathepsin L-like precursor	0.0108	0.2141	0.2141
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0108	0.2141	0.6173
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0108	0.2141	0.5461
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0108	0.2141	0.5461
Brugia malayi	Cathepsin L-like precursor	0.0108	0.2141	0.2141
Leishmania major	cathepsin L-like protease	0.0108	0.2141	0.6173
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0108	0.2141	0.5461
Entamoeba histolytica	cysteine proteinase, putative	0.0108	0.2141	1
Leishmania major	cathepsin L-like protease	0.0108	0.2141	0.6173
Plasmodium vivax	serine-repeat antigen (SERA)	0.0039	0.0544	0.254
Trypanosoma cruzi	cysteine proteinase, putative	0.0039	0.0544	0.0544
Brugia malayi	Papain family cysteine protease containing protein	0.0108	0.2141	0.2141
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0108	0.2141	0.5461
Onchocerca volvulus		0.0108	0.2141	1
Toxoplasma gondii	preprocathepsin c precursor, putative	0.0039	0.0544	0.1568
Brugia malayi	Papain family cysteine protease containing protein	0.0039	0.0544	0.0544
Brugia malayi	Cathepsin L-like precursor	0.0108	0.2141	0.2141
Plasmodium vivax	unspecified product	0.0039	0.0544	0.254
Echinococcus multilocularis	cysteine protease	0.0108	0.2141	0.2141
Plasmodium falciparum	dipeptidyl aminopeptidase 3	0.0039	0.0544	0.254
Entamoeba histolytica	cysteine protease, putative	0.0108	0.2141	1
Entamoeba histolytica	cysteine proteinase, putative	0.0108	0.2141	1
Brugia malayi	Cathepsin L-like precursor	0.0108	0.2141	0.2141
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0039	0.0544	0.0544
Onchocerca volvulus		0.0108	0.2141	1
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0039	0.0544	0.0544
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0108	0.2141	0.5461
Brugia malayi	Cathepsin L-like precursor	0.0108	0.2141	0.2141
Entamoeba histolytica	cysteine proteinase, putative	0.0108	0.2141	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0165	0.3468	0.3468
Brugia malayi	Papain family cysteine protease containing protein	0.0039	0.0544	0.0544
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0544	0.0544
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0039	0.0544	0.254
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0108	0.2141	0.6173
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0544	0.0544
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0108	0.2141	0.6173
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0108	0.2141	0.6173
Echinococcus multilocularis	cathepsin L cysteine protease	0.0108	0.2141	0.2141
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0108	0.2141	0.2141
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0039	0.0544	0.0544
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0108	0.2141	0.2141
Echinococcus granulosus	cysteine protease	0.0039	0.0544	0.0544
Toxoplasma gondii	cathepsin CPC1	0.0039	0.0544	0.1568
Plasmodium falciparum	dipeptidyl aminopeptidase 1	0.0039	0.0544	0.254
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0108	0.2141	0.5461
Plasmodium vivax	vivapain-3	0.0039	0.0544	0.254
Plasmodium vivax	serine-repeat antigen 4 (SERA), putative	0.0039	0.0544	0.254
Toxoplasma gondii	cathepsin CPL	0.0108	0.2141	0.6173
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0165	0.3468	1
Brugia malayi	cathepsin L precursor	0.0039	0.0544	0.0544
Echinococcus granulosus	cathepsin b	0.0447	1	1
Echinococcus granulosus	cathepsin l1	0.0108	0.2141	0.2141
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0108	0.2141	0.5461
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0447	1	1
Onchocerca volvulus	Cathepsin F homolog	0.0108	0.2141	1
Brugia malayi	cathepsin F-like cysteine proteinase	0.0039	0.0544	0.0544
Plasmodium falciparum	serine repeat antigen 7	0.0039	0.0544	0.254
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0447	1	1
Plasmodium falciparum	serine repeat antigen 2	0.0039	0.0544	0.254
Echinococcus multilocularis	cathepsin b	0.0447	1	1
Plasmodium falciparum	dipeptidyl aminopeptidase 2	0.0039	0.0544	0.254
Echinococcus multilocularis	cathepsin L	0.0039	0.0544	0.0544
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0039	0.0544	0.0544
Toxoplasma gondii	cathepsin B	0.0165	0.3468	1
Leishmania major	cathepsin L-like protease	0.0108	0.2141	0.6173
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0108	0.2141	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0039	0.0544	0.0544
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0108	0.2141	0.5461
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0108	0.2141	0.6173
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0108	0.2141	0.5461
Echinococcus multilocularis	cathepsin L	0.0039	0.0544	0.0544
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0108	0.2141	0.2141
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0039	0.0544	0.0544

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.

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External resources for this compound

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 830959