TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 469.451 | Formula: C21H23N7O6
H donors: 6 H acceptors: 5 LogP: -0.8 Rotable bonds: 8
Rule of 5 violations (Lipinski): 2
SMILES: O=C(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(N)[nH]c2=O)NCCc1c[nH]c2c1cccc2
InChi: 1S/C21H23N7O6/c22-20-26-17-14(18(31)27-20)25-9-28(17)19-16(30)15(29)13(34-19)8-33-21(32)23-6-5-10-7-24-12-4-2-1-3-11(10)12/h1-4,7,9,13,15-16,19,24,29-30H,5-6,8H2,(H,23,32)(H3,22,26,27,31)/t13-,15-,16-,19-/m1/s1
InChiKey: WKHCFGWBMMFLHU-NVQRDWNXSA-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
Onchocerca volvulus		0.0097	0.0066	0.0731
Leishmania major	cathepsin L-like protease	0.0097	0.0066	0.0456
Onchocerca volvulus		0.0097	0.0066	0.0731
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0332	0.0411	0.146
Leishmania major	cathepsin L-like protease	0.0097	0.0066	0.0456
Mycobacterium ulcerans	protoporphyrinogen oxidase	0.0482	0.0632	0.0414
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0079	0.0038	0.0936
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0332	0.0411	0.146
Brugia malayi	Cathepsin L-like precursor	0.0067	0.0021	0.0074
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0067	0.0021	0.0074
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0097	0.0066	0.1594
Trypanosoma cruzi	cysteine peptidase, putative	0.0097	0.0066	0.1037
Plasmodium falciparum	protoporphyrinogen oxidase	0.0482	0.0632	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0097	0.0066	0.1594
Plasmodium falciparum	lysine-specific histone demethylase 1, putative	0.0482	0.0632	1
Giardia lamblia	Cathepsin B precursor	0.0079	0.0038	0.5
Onchocerca volvulus	Cathepsin F homolog	0.0097	0.0066	0.0731
Entamoeba histolytica	cysteine proteinase, putative	0.0067	0.0021	0.3182
Echinococcus multilocularis	carboxylesterase 5A	0.1966	0.2816	1
Onchocerca volvulus		0.0097	0.0066	0.0731
Brugia malayi	Carboxylesterase family protein	0.0332	0.0411	0.146
Loa Loa (eye worm)	hypothetical protein	0.0482	0.0632	0.2185
Echinococcus multilocularis	cathepsin L cysteine protease	0.0097	0.0066	0.0233
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0332	0.0411	0.0203
Mycobacterium ulcerans	monoamine oxidase	0.0482	0.0632	0.0414
Echinococcus multilocularis	acetylcholinesterase	0.1966	0.2816	1
Plasmodium vivax	hypothetical protein, conserved	0.0482	0.0632	1
Loa Loa (eye worm)	hypothetical protein	0.0332	0.0411	0.1396
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0067	0.0021	0.0507
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0097	0.0066	0.1594
Trypanosoma cruzi	cysteine peptidase, putative	0.0097	0.0066	0.1037
Schistosoma mansoni	amine oxidase	0.0482	0.0632	0.2243
Onchocerca volvulus		0.0332	0.0411	0.6388
Loa Loa (eye worm)	hypothetical protein	0.0205	0.0224	0.0727
Schistosoma mansoni	amine oxidase	0.0482	0.0632	0.2243
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0332	0.0411	0.146
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0097	0.0066	0.1037
Entamoeba histolytica	cysteine proteinase, putative	0.0097	0.0066	1
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0482	0.0632	1
Toxoplasma gondii	cathepsin CPL	0.0097	0.0066	0.0456
Echinococcus granulosus	BC026374 protein S09 family	0.0332	0.0411	0.146
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0205	0.0224	0.0796
Plasmodium vivax	hypothetical protein, conserved	0.0482	0.0632	1
Leishmania major	UDP-galactopyranose mutase	0.0482	0.0632	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0097	0.0066	0.1037
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0097	0.0066	0.1594
Toxoplasma gondii	histone lysine-specific demethylase LSD1/BHC110/KDMA1A	0.0482	0.0632	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0097	0.0066	0.2882
Brugia malayi	Cathepsin L-like precursor	0.0097	0.0066	0.0233
Echinococcus multilocularis	cysteine protease	0.0097	0.0066	0.0233
Schistosoma mansoni	BC026374 protein (S09 family)	0.0332	0.0411	0.146
Onchocerca volvulus		0.0332	0.0411	0.6388
Onchocerca volvulus		0.0097	0.0066	0.0731
Echinococcus multilocularis	cathepsin b	0.0205	0.0224	0.0796
Leishmania major	cathepsin L-like protease	0.0097	0.0066	0.0456
Brugia malayi	hypothetical protein	0.0482	0.0632	0.2243
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0097	0.0066	0.1594
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.1966	0.2816	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0097	0.0066	0.2882
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0097	0.0066	0.1594
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0332	0.0411	0.0203
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0097	0.0066	0.1594
Echinococcus multilocularis	lysine specific histone demethylase 1A	0.0482	0.0632	0.2243
Mycobacterium ulcerans	oxidoreductase	0.0482	0.0632	0.0414
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0097	0.0066	0.1594
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0097	0.0066	0.0233
Brugia malayi	Carboxylesterase family protein	0.1966	0.2816	1
Echinococcus multilocularis	cysteine protease	0.0097	0.0066	0.0233
Brugia malayi	Cathepsin L-like precursor	0.0097	0.0066	0.0233
Echinococcus multilocularis	cathepsin L cysteine protease	0.0097	0.0066	0.0233
Echinococcus granulosus	acetylcholinesterase	0.1966	0.2816	1
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0332	0.0411	1
Trichomonas vaginalis	spcc417.12 protein, putative	0.0332	0.0411	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0097	0.0066	0.1037
Loa Loa (eye worm)	hypothetical protein	0.0332	0.0411	0.1396
Toxoplasma gondii	histone lysine-specific demethylase	0.0482	0.0632	1
Brugia malayi	Cathepsin L-like precursor	0.0097	0.0066	0.0233
Loa Loa (eye worm)	hypothetical protein	0.0482	0.0632	0.2185
Leishmania major	cathepsin L-like protease	0.0097	0.0066	0.0456
Brugia malayi	amine oxidase, flavin-containing family protein	0.0482	0.0632	0.2243
Loa Loa (eye worm)	carboxylesterase	0.0332	0.0411	0.1396
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0097	0.0066	0.1594
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0097	0.0066	0.1594
Onchocerca volvulus		0.0097	0.0066	0.0731
Echinococcus granulosus	cathepsin l1	0.0067	0.0021	0.0074
Loa Loa (eye worm)	ctsf protein	0.0097	0.0066	0.016
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0482	0.0632	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0097	0.0066	0.0233
Loa Loa (eye worm)	carboxylesterase	0.1966	0.2816	1
Brugia malayi	Carboxylesterase family protein	0.0332	0.0411	0.146
Loa Loa (eye worm)	hypothetical protein	0.0097	0.0066	0.016
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0205	0.0224	0.0796
Schistosoma mansoni	Lysine-specific histone demethylase 1	0.0482	0.0632	0.2243
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0097	0.0066	0.2882
Onchocerca volvulus		0.0332	0.0411	0.6388
Echinococcus multilocularis	para nitrobenzyl esterase	0.0332	0.0411	0.146
Onchocerca volvulus		0.0482	0.0632	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0097	0.0066	0.016
Echinococcus multilocularis		0.0482	0.0632	0.2243
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0332	0.0411	0.146
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0097	0.0066	0.2882
Loa Loa (eye worm)	hypothetical protein	0.0482	0.0632	0.2185
Brugia malayi	Cathepsin L-like precursor	0.0097	0.0066	0.0233
Echinococcus granulosus	cathepsin b	0.0205	0.0224	0.0796
Loa Loa (eye worm)	carboxylesterase	0.0332	0.0411	0.1396
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0205	0.0224	0.3548
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0097	0.0066	0.1594
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0482	0.0632	0.2243
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0097	0.0066	0.1594
Onchocerca volvulus		0.0332	0.0411	0.6388
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0332	0.0411	0.0203
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0097	0.0066	0.1594
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0097	0.0066	0.2882
Echinococcus granulosus	carboxylesterase 5A	0.1966	0.2816	1
Loa Loa (eye worm)	hypothetical protein	0.1966	0.2816	1
Echinococcus multilocularis	protoporphyrinogen oxidase	0.0482	0.0632	0.2243
Brugia malayi	Carboxylesterase family protein	0.0332	0.0411	0.146
Loa Loa (eye worm)	hypothetical protein	0.0482	0.0632	0.2185
Brugia malayi	cathepsin B-like cysteine proteinase	0.0205	0.0224	0.0796
Loa Loa (eye worm)	hypothetical protein	0.0332	0.0411	0.1396
Onchocerca volvulus		0.0097	0.0066	0.0731
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0097	0.0066	0.2882
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0097	0.0066	0.1594
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0079	0.0038	0.0137
Plasmodium vivax	vivapain-2	0.0097	0.0066	0.1037
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.6845	1	1
Loa Loa (eye worm)	cysteine protease	0.0097	0.0066	0.016
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0207	0.0227	0.3599
Schistosoma mansoni	gliotactin	0.0332	0.0411	0.146
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0097	0.0066	0.1594
Echinococcus granulosus	acetylcholinesterase	0.1966	0.2816	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0097	0.0066	0.1037
Loa Loa (eye worm)	hypothetical protein	0.0332	0.0411	0.1396
Onchocerca volvulus	Cathepsin L homolog	0.0097	0.0066	0.0731
Loa Loa (eye worm)	fibroinase	0.0097	0.0066	0.016
Loa Loa (eye worm)	hypothetical protein	0.0482	0.0632	0.2185
Schistosoma mansoni	cathepsin F (C01 family)	0.0097	0.0066	0.0233
Brugia malayi	hypothetical protein	0.0332	0.0411	0.146
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0097	0.0066	0.2882
Mycobacterium tuberculosis	Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO)	0.6363	0.929	1
Schistosoma mansoni	acetylcholinesterase	0.0332	0.0411	0.146
Brugia malayi	Carboxylesterase family protein	0.0332	0.0411	0.146
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0205	0.0224	0.0796
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0097	0.0066	0.1594
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0097	0.0066	0.1594
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0207	0.0227	0.3599
Echinococcus granulosus	cathepsin l1	0.0097	0.0066	0.0233
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0067	0.0021	0.033
Echinococcus multilocularis	cathepsin b	0.0205	0.0224	0.0796
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0097	0.0066	0.1037
Onchocerca volvulus	Cathepsin L homolog	0.0097	0.0066	0.0731
Chlamydia trachomatis	protoporphyrinogen oxidase	0.0482	0.0632	0.5
Giardia lamblia	Cathepsin B precursor	0.0079	0.0038	0.5
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0079	0.0038	0.0609
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0067	0.0021	0.0507
Loa Loa (eye worm)	cathepsin B	0.0079	0.0038	0.0063
Brugia malayi	cathepsin L-like precursor	0.0067	0.0021	0.0074
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0097	0.0066	0.1594
Loa Loa (eye worm)	hypothetical protein	0.0332	0.0411	0.1396
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0097	0.0066	0.2882
Schistosoma mansoni	Protoporphyrinogen oxidase chloroplast/mitochondrial precursor	0.0482	0.0632	0.2243
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0482	0.0632	0.2243
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0097	0.0066	0.1594
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0097	0.0066	0.1594
Loa Loa (eye worm)	hypothetical protein	0.1966	0.2816	1
Echinococcus granulosus	cathepsin b	0.0205	0.0224	0.0796
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0097	0.0066	0.2882
Mycobacterium ulcerans	dehydrogenase	0.0482	0.0632	0.0414
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0097	0.0066	0.1594
Onchocerca volvulus		0.0332	0.0411	0.6388
Mycobacterium tuberculosis	Possible oxidoreductase	0.0482	0.0632	0.0446
Leishmania major	cathepsin L-like protease	0.0097	0.0066	0.0456
Brugia malayi	Cathepsin L-like precursor	0.0097	0.0066	0.0233
Schistosoma mansoni	cathepsin F (C01 family)	0.0097	0.0066	0.0233
Plasmodium vivax	lysine-specific histone demethylase 1, putative	0.0482	0.0632	1
Leishmania major	lanosterol 14-alpha-demethylase, putative	0.0207	0.0227	0.3184
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0332	0.0411	0.146
Leishmania major	cysteine peptidase A (CPA)	0.0097	0.0066	0.0456
Echinococcus multilocularis	neuroligin	0.0332	0.0411	0.146
Giardia lamblia	Cathepsin B precursor	0.0079	0.0038	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0097	0.0066	0.1594
Loa Loa (eye worm)	hypothetical protein	0.0482	0.0632	0.2185
Brugia malayi	Carboxylesterase family protein	0.1966	0.2816	1
Brugia malayi	Cathepsin L-like precursor	0.0067	0.0021	0.0074
Schistosoma mansoni	cathepsin F (C01 family)	0.0067	0.0021	0.0074
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0097	0.0066	0.1594
Mycobacterium ulcerans	carboxylesterase, LipT	0.0332	0.0411	0.0188
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0332	0.0411	0.146
Brugia malayi	SWIRM domain containing protein	0.0482	0.0632	0.2243
Brugia malayi	Cathepsin L-like precursor	0.0097	0.0066	0.0233
Entamoeba histolytica	cysteine proteinase, putative	0.0097	0.0066	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0097	0.0066	0.2882
Onchocerca volvulus		0.0097	0.0066	0.0731
Echinococcus granulosus	neuroligin	0.0332	0.0411	0.146
Leishmania major	cathepsin L-like protease	0.0097	0.0066	0.0456
Echinococcus granulosus	para nitrobenzyl esterase	0.0332	0.0411	0.146
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0205	0.0224	0.0796
Mycobacterium leprae	PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO)	0.0482	0.0632	0.5
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0332	0.0411	0.146
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0097	0.0066	0.1037
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0097	0.0066	0.1594
Loa Loa (eye worm)	hypothetical protein	0.0332	0.0411	0.1396
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0097	0.0066	0.0233
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0097	0.0066	0.0233
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0097	0.0066	0.1594
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0097	0.0066	0.2882
Trypanosoma brucei	Lanosterol 14-alpha demethylase	0.0207	0.0227	1
Plasmodium vivax	protoporphyrinogen oxidase, putative	0.0482	0.0632	1
Brugia malayi	Papain family cysteine protease containing protein	0.0097	0.0066	0.0233
Leishmania major	cathepsin L-like protease	0.0097	0.0066	0.0456
Entamoeba histolytica	cysteine protease, putative	0.0097	0.0066	1
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0079	0.0038	0.1691
Echinococcus multilocularis	acetylcholinesterase	0.1966	0.2816	1
Plasmodium vivax	vivapain-2	0.0097	0.0066	0.1037
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0097	0.0066	0.016
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0482	0.0632	0.0446
Leishmania major	cathepsin L-like protease	0.0097	0.0066	0.0456
Loa Loa (eye worm)	acetylcholinesterase 1	0.1966	0.2816	1
Loa Loa (eye worm)	hypothetical protein	0.0332	0.0411	0.1396
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0482	0.0632	1

Activities

Activity type	Activity value	Assay description	Source	Reference
GI (functional)		Growth inhibition of Escherichia coli BW25113 at 100 uM after 40 hrs in presence of glucose as sole carbon source	ChEMBL.	22104145
Ki (binding)	= 34 uM	Non-competitive inhibition of human HinT1 using tryptamine 5'-adenosine phosphoramidate as substrate compound pre-incubated for 30 secs prior substrate addition measured for 2 mins by Dixon plot analysis	ChEMBL.	22104145

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: CHEMBL1934757

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 1594096