TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 428.236 | Formula: C19H14BrN3O4
H donors: 2 H acceptors: 4 LogP: 4.73 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Cc1ccc(c2c1cccc2)Br)N/N=C/c1ccc(c(c1)[N+](=O)[O-])O
InChi: 1S/C19H14BrN3O4/c20-16-7-6-13(14-3-1-2-4-15(14)16)10-19(25)22-21-11-12-5-8-18(24)17(9-12)23(26)27/h1-9,11,24H,10H2,(H,22,25)/b21-11+
InChiKey: UENOWJCLPJLLEX-SRZZPIQSSA-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	Calcitonin receptor-like protein seb-1	0.0053	0.0962	0.4229
Onchocerca volvulus		0.0015	0.0084	0.5
Trichomonas vaginalis	ap endonuclease, putative	0.002	0.0203	0.0576
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0084	0.0199
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0962	0.4344
Trypanosoma cruzi	hexose transporter, putative	0.0032	0.0493	0.8107
Trypanosoma cruzi	hexose transporter	0.0032	0.0493	0.8107
Brugia malayi	exodeoxyribonuclease III family protein	0.002	0.0203	0.0576
Brugia malayi	Calcium/calmodulin-dependent protein kinase type II alpha chain	0.0032	0.0484	0.1927
Brugia malayi	Latrophilin receptor protein 2	0.0017	0.0129	0.022
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0493	0.8107
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0084	0.0199
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0105	0.216	0.5465
Schistosoma mansoni	lysyl-tRNA synthetase	0.0023	0.0283	0.0525
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0037	0.0589	1
Plasmodium falciparum	calcium-dependent protein kinase 5	0.0032	0.0484	0.0404
Leishmania major	glucose transporter/membrane transporter D2, putative	0.0032	0.0493	0.8107
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0037	0.0589	1
Entamoeba histolytica	prolyl-tRNA synthetase, putative	0.0031	0.0469	0.9466
Entamoeba histolytica	protein kinase, putative	0.0032	0.0484	1
Trichomonas vaginalis	sugar transporter, putative	0.0032	0.0493	0.1973
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0023	0.0283	0.0961
Echinococcus granulosus	calcium dependent protein kinase	0.003	0.0438	0.0933
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0053	0.0962	0.4229
Mycobacterium leprae	Probable prolyl tRNA synthetase ProS	0.0031	0.0469	1
Trichomonas vaginalis	sugar transporter, putative	0.0032	0.0493	0.1973
Schistosoma mansoni	serine/threonine protein kinase	0.0032	0.0484	0.1053
Loa Loa (eye worm)	CAMK/CAMK2 protein kinase	0.0032	0.0484	0.2088
Echinococcus multilocularis	GPCR, family 2	0.0017	0.0129	0.012
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.002	0.0203	0.0315
Plasmodium vivax	calcium-dependent protein kinase 4, putative	0.0032	0.0484	0.0404
Schistosoma mansoni	hypothetical protein	0.0179	0.3884	1
Schistosoma mansoni	hypothetical protein	0.0036	0.0576	0.1297
Schistosoma mansoni	glucose transport protein	0.0105	0.216	0.5465
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0032	0.0484	0.1053
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.002	0.0217	0.0641
Brugia malayi	bifunctional aminoacyl-tRNA synthetase	0.0031	0.0469	0.1855
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0037	0.0589	1
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0493	0.8107
Brugia malayi	Cam kinase protein 1	0.0032	0.0484	0.1927
Mycobacterium ulcerans	integral membrane transport protein	0.0015	0.0084	0.2954
Brugia malayi	Sugar transporter family protein	0.0105	0.216	1
Echinococcus granulosus	geminin	0.0179	0.3884	1
Trichomonas vaginalis	conserved hypothetical protein	0.0105	0.216	1
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0017	0.0129	0.012
Onchocerca volvulus		0.0015	0.0084	0.5
Leishmania major	glucose transporter, lmgt1	0.0032	0.0493	0.8107
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0333	0.1375
Trichomonas vaginalis	prolyl-tRNA synthetase, putative	0.0031	0.0469	0.1855
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0023	0.0283	1
Toxoplasma gondii	lysine-tRNA ligase	0.0023	0.0283	0.0308
Onchocerca volvulus	Putative transporter	0.0015	0.0084	0.5
Loa Loa (eye worm)	calcium/calmodulin-dependent protein kinase ID	0.0032	0.0484	0.2088
Trichomonas vaginalis	glucose transporter, putative	0.0032	0.0493	0.1973
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0017	0.0129	0.012
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.002	0.0203	0.0764
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0105	0.216	0.5465
Treponema pallidum	exodeoxyribonuclease (exoA)	0.002	0.0203	1
Plasmodium vivax	calcium-dependent protein kinase 3, putative	0.0032	0.0484	0.0404
Plasmodium falciparum	calcium-dependent protein kinase 2	0.0032	0.0484	0.0404
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0.0493	0.1973
Trypanosoma brucei	calcium/calmodulin-dependent protein kinase, putative	0.0032	0.0484	0.7919
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0105	0.216	0.5465
Plasmodium falciparum	protein kinase 7	0.0295	0.6571	0.6542
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0.0493	0.1973
Onchocerca volvulus		0.0015	0.0084	0.5
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0031	0.0469	0.1014
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.002	0.0203	0.3108
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.002	0.0203	0.718
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.002	0.0203	1
Loa Loa (eye worm)	sugar transporter	0.0015	0.0084	0.0199
Toxoplasma gondii	prolyl-tRNA synthetase (ProRS)	0.0037	0.0589	0.0779
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type 1	0.0032	0.0484	0.1053
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0037	0.0589	1
Onchocerca volvulus		0.0015	0.0084	0.5
Onchocerca volvulus		0.0015	0.0084	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0032	0.0493	0.1973
Trypanosoma brucei	bifunctional aminoacyl-tRNA synthetase, putative	0.0037	0.0589	1
Plasmodium falciparum	mitogen-activated protein kinase 2	0.0169	0.3649	0.3595
Plasmodium vivax	mitogen-activated protein kinase 2, putative	0.0169	0.3649	0.3595
Schistosoma mansoni	glucose transport protein	0.0105	0.216	0.5465
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0105	0.216	0.5465
Schistosoma mansoni	ap endonuclease	0.002	0.0203	0.0315
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 2 LysX	0.002	0.0202	0.9883
Onchocerca volvulus		0.0015	0.0084	0.5
Schistosoma mansoni	protein kinase	0.0032	0.0484	0.1053
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0032	0.0484	0.1053
Toxoplasma gondii	cell-cycle-associated protein kinase MAPK, putative	0.0169	0.3649	0.5495
Toxoplasma gondii	protein kinase, putative	0.0295	0.6571	1
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0493	0.8107
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0015	0.0084	0.0199
Leishmania major	protein kinase, putative	0.0032	0.0484	0.7919
Echinococcus multilocularis	General substrate transporter	0.009	0.1821	0.4571
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0084	0.0199
Schistosoma mansoni	hypothetical protein	0.0179	0.3884	1
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0032	0.0484	0.1053
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0105	0.216	0.5465
Giardia lamblia	Prolyl-tRNA synthetase	0.0031	0.0469	1
Trichomonas vaginalis	CAMK family protein kinase	0.0032	0.0484	0.1927
Schistosoma mansoni	hypothetical protein	0.0105	0.216	0.5465
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0084	0.0199
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.002	0.0203	0.2369
Plasmodium falciparum	lysine--tRNA ligase	0.0023	0.0283	0.0201
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0084	0.0199
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0023	0.0283	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0053	0.0962	0.4344
Onchocerca volvulus		0.0015	0.0084	0.5
Toxoplasma gondii	exonuclease III APE	0.002	0.0203	0.0185
Trypanosoma cruzi	lysyl-tRNA synthetase, putative	0.0023	0.0283	0.395
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0032	0.0484	0.1053
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.002	0.0203	0.2369
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.002	0.0202	0.9883
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0084	0.0199
Onchocerca volvulus		0.0015	0.0084	0.5
Mycobacterium leprae	Possible lysyl-tRNA synthetase 2 LysX	0.0023	0.0283	0.3046
Schistosoma mansoni	hypothetical protein	0.0017	0.0129	0.012
Onchocerca volvulus		0.0015	0.0084	0.5
Plasmodium falciparum	calcium-dependent protein kinase 1	0.0032	0.0484	0.0404
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0493	0.8107
Brugia malayi	Bifunctional aminoacyl-tRNA synthetase	0.0031	0.0469	0.1855
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0032	0.0493	0.8107
Toxoplasma gondii	facilitative glucose transporter GT1	0.0105	0.216	0.3201
Schistosoma mansoni	protein kinase	0.0032	0.0484	0.1053
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.002	0.0203	0.0315
Schistosoma mansoni	hypothetical protein	0.0017	0.0129	0.012
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0576	0.2525
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0015	0.0084	0.0199
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0469	0.2017
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.002	0.0203	0.2369
Entamoeba histolytica	hypothetical protein	0.0023	0.0283	0.2849
Trichomonas vaginalis	glucose transporter, putative	0.0032	0.0493	0.1973
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0493	0.8107
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0032	0.0484	0.1053
Schistosoma mansoni	hypothetical protein	0.0017	0.0129	0.012
Plasmodium falciparum	calcium-dependent protein kinase 3	0.0032	0.0484	0.0404
Onchocerca volvulus		0.0015	0.0084	0.5
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0084	0.0199
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.002	0.0203	1
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0484	0.2088
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0084	0.0199
Onchocerca volvulus		0.0015	0.0084	0.5
Echinococcus granulosus	lysyl tRNA synthetase	0.0023	0.0283	0.0525
Leishmania major	lysyl-tRNA synthetase, putative	0.0023	0.0283	0.395
Brugia malayi	lysyl-tRNA synthetase	0.0023	0.0283	0.0961
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0105	0.216	0.5465
Plasmodium vivax	calcium-dependent protein kinase 1, putative	0.0032	0.0484	0.0404
Onchocerca volvulus		0.0015	0.0084	0.5
Schistosoma mansoni	hypothetical protein	0.0017	0.0129	0.012
Toxoplasma gondii	calcium-dependent protein kinase CDPK2A	0.0032	0.0484	0.0617
Trypanosoma cruzi	hexose transporter, putative	0.0032	0.0493	0.8107
Onchocerca volvulus		0.0015	0.0084	0.5
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0084	0.0199
Loa Loa (eye worm)	sugar transporter	0.0105	0.216	1
Echinococcus multilocularis	lysyl tRNA synthetase	0.0023	0.0283	0.0525
Leishmania major	glucose transporter, lmgt2	0.0032	0.0493	0.8107
Trypanosoma cruzi	hexose transporter, putative	0.0032	0.0493	0.8107
Echinococcus granulosus	glutamyl tRNA synthetase cytoplasmic	0.0031	0.0469	0.1014
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0017	0.0129	0.022
Giardia lamblia	Lysyl-tRNA synthetase	0.0023	0.0283	0.5182
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0469	0.2017
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0084	0.0199
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0493	0.8107
Toxoplasma gondii	calcium-dependent protein kinase CDPK2B	0.0032	0.0484	0.0617
Toxoplasma gondii	calcium-dependent protein kinase CDPK3	0.0032	0.0484	0.0617
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0017	0.0129	0.0414
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0105	0.216	0.5465
Trichomonas vaginalis	ap endonuclease, putative	0.002	0.0203	0.0576
Trypanosoma brucei	lysyl-tRNA synthetase, putative	0.0023	0.0283	0.395
Plasmodium falciparum	calcium-dependent protein kinase 4	0.0032	0.0484	0.0404
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0129	0.0414
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.002	0.0203	0.0121
Onchocerca volvulus		0.0015	0.0084	0.5
Mycobacterium ulcerans	sugar-transport integral membrane protein SugI	0.0015	0.0084	0.2954
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0031	0.0469	0.1014
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0032	0.0484	0.1053
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0032	0.0484	0.1053
Onchocerca volvulus		0.0015	0.0084	0.5
Trypanosoma brucei	glucose transporter 1E	0.0032	0.0493	0.8107
Trypanosoma cruzi	hexose transporter, putative	0.0018	0.0154	0.1383
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0493	0.8107
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	0.0105	0.216	0.5465
Leishmania major	glucose transporter, lmgt3	0.0032	0.0493	0.8107
Brugia malayi	latrophilin 2 splice variant baaae	0.0036	0.0576	0.2373
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0032	0.0493	0.8107
Mycobacterium ulcerans	fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT	0.0015	0.0084	0.2954
Echinococcus multilocularis	geminin	0.0179	0.3884	1
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.002	0.0203	0.0121
Schistosoma mansoni	protein kinase	0.0032	0.0484	0.1053
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0017	0.0129	0.012
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0032	0.0493	0.8107
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0084	0.0199
Echinococcus granulosus	GPCR family 2	0.0017	0.0129	0.012
Plasmodium vivax	lysine--tRNA ligase, putative	0.0023	0.0283	0.0201
Schistosoma mansoni	ap endonuclease	0.002	0.0203	0.0315
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.002	0.0203	0.2369
Schistosoma mansoni	lysyl-tRNA synthetase	0.0023	0.0283	0.0525
Chlamydia trachomatis	lysine--tRNA ligase	0.0023	0.0283	1
Plasmodium vivax	calcium-dependent protein kinase, putative	0.0032	0.0484	0.0404
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0283	0.1141
Schistosoma mansoni	glucose transport protein	0.0105	0.216	0.5465
Plasmodium falciparum	proline--tRNA ligase	0.0037	0.0589	0.051
Mycobacterium ulcerans	sugar transporter	0.0015	0.0084	0.2954
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0084	0.0199
Echinococcus multilocularis	calcium dependent protein kinase	0.003	0.0438	0.0933
Plasmodium vivax	proline--tRNA ligase, putative	0.0037	0.0589	0.051
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0084	0.0199
Onchocerca volvulus		0.0015	0.0084	0.5
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0493	0.8107
Plasmodium falciparum	hexose transporter	0.0105	0.216	0.2094
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0084	0.0199
Trypanosoma brucei	glucose transporter 2A	0.0032	0.0493	0.8107
Plasmodium vivax	hexose transporter	0.0105	0.216	0.2094
Entamoeba histolytica	protein kinase, putative	0.0032	0.0484	1
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0017	0.0129	0.012
Plasmodium vivax	CDK-related protein kinase 6, putative	0.0444	1	1
Echinococcus multilocularis	glutamyl tRNA synthetase cytoplasmic	0.0031	0.0469	0.1014
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0084	0.0199
Echinococcus granulosus	General substrate transporter	0.009	0.1821	0.4571

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 784822