TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 344.406 | Formula: C22H20N2O2
H donors: 1 H acceptors: 1 LogP: 4.39 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CCOc1ccccc1/C=N/c1ccccc1C(=O)Nc1ccccc1
InChi: 1S/C22H20N2O2/c1-2-26-21-15-9-6-10-17(21)16-23-20-14-8-7-13-19(20)22(25)24-18-11-4-3-5-12-18/h3-16H,2H2,1H3,(H,24,25)/b23-16+
InChiKey: NWVFFHZQABIZMB-XQNSMLJCSA-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

Species	Target name	Source	Bibliographic reference
Equus caballus	Ferritin light chain	Starlite/ChEMBL	No references
Homo sapiens	hydroxyprostaglandin dehydrogenase 15-(NAD)	Starlite/ChEMBL	No references
Homo sapiens	lysine (K)-specific demethylase 4E	Starlite/ChEMBL	No references
Homo sapiens	glucosidase, beta, acid	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Onchocerca volvulus	Glucosylceramidase homolog	Get druggable targets OG5_129423	All targets in OG5_129423
Brugia malayi	O-Glycosyl hydrolase family 30 protein	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus multilocularis	expressed protein	Ferritin light chain	175 aa	146 aa	30.1 %
Schistosoma mansoni	apoferritin-2	Ferritin light chain	175 aa	142 aa	29.6 %
Schistosoma mansoni	ferritin	Ferritin light chain	175 aa	171 aa	43.9 %
Plasmodium falciparum	steroid dehydrogenase, putative	hydroxyprostaglandin dehydrogenase 15-(NAD)	266 aa	216 aa	22.2 %
Schistosoma mansoni	ferritin	Ferritin light chain	175 aa	171 aa	44.4 %
Schistosoma mansoni	apoferritin-2	Ferritin light chain	175 aa	146 aa	28.8 %
Schistosoma japonicum	Ferritin, putative	Ferritin light chain	175 aa	144 aa	24.3 %
Echinococcus granulosus	expressed protein	Ferritin light chain	175 aa	146 aa	28.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0815	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0815	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.042	0.4054	0.4054
Giardia lamblia	Cathepsin B precursor	0.015	0	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.042	0.4054	0.4054
Giardia lamblia	Cathepsin L-like protease	0.015	0	0.5
Plasmodium vivax	vivapain-2	0.0815	1	1
Giardia lamblia	Cathepsin L precursor	0.015	0	0.5
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0546	0.5946	0.5946
Entamoeba histolytica	cysteine protease, putative	0.042	0.4054	0.4054
Schistosoma mansoni	cathepsin F (C01 family)	0.0815	1	1
Schistosoma mansoni	cathepsin s	0.027	0.1791	0.1791
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0815	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0815	1	1
Leishmania major	cathepsin L-like protease	0.0815	1	1
Echinococcus granulosus	cathepsin l1	0.0815	1	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0815	1	1
Onchocerca volvulus		0.0815	1	1
Onchocerca volvulus	Cathepsin L homolog	0.0815	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0815	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0815	1	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.2428	0.2428
Loa Loa (eye worm)	hypothetical protein	0.027	0.1791	0.1791
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0815	1	1
Brugia malayi	Papain family cysteine protease containing protein	0.042	0.4054	0.4054
Brugia malayi	Cathepsin L-like precursor	0.0815	1	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0546	0.5946	0.5946
Giardia lamblia	Cathepsin L precursor	0.015	0	0.5
Onchocerca volvulus		0.0815	1	1
Entamoeba histolytica	cysteine protease, putative	0.042	0.4054	0.4054
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0312	0.2428	0.2428
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0815	1	1
Leishmania major	cysteine peptidase A (CPA)	0.0815	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0815	1	1
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.015	0	0.5
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0815	1	1
Loa Loa (eye worm)	ctsf protein	0.0815	1	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.027	0.1791	0.1791
Loa Loa (eye worm)	cysteine protease	0.0815	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0815	1	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.2428	0.2428
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0815	1	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.042	0.4054	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0815	1	1
Brugia malayi	Cathepsin L-like precursor	0.0546	0.5946	0.5946
Echinococcus multilocularis	cathepsin L cysteine protease	0.0815	1	1
Entamoeba histolytica	cysteine protease, putative	0.042	0.4054	0.4054
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.2428	0.2428
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.2428	0.2428
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0815	1	1
Giardia lamblia	Cathepsin B precursor	0.015	0	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0815	1	1
Giardia lamblia	Hypothetical protein	0.015	0	0.5
Brugia malayi	Papain family cysteine protease containing protein	0.042	0.4054	0.4054
Giardia lamblia	Cathepsin L-like protease	0.015	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0546	0.5946	0.5946
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0815	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0815	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0815	1	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0815	1	1
Loa Loa (eye worm)	hypothetical protein	0.0546	0.5946	0.5946
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0815	1	1
Onchocerca volvulus		0.0815	1	1
Loa Loa (eye worm)	fibroinase	0.0815	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0815	1	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0815	1	1
Brugia malayi	Cathepsin L-like precursor	0.0815	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.042	0.4054	0.4054
Entamoeba histolytica	cysteine protease, putative	0.042	0.4054	0.4054
Onchocerca volvulus		0.0815	1	1
Brugia malayi	Cathepsin L-like precursor	0.0815	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0546	0.5946	0.5946
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0815	1	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.2428	0.2428
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0815	1	1
Echinococcus granulosus	cathepsin l1	0.0546	0.5946	0.5946
Giardia lamblia	Cysteine protease	0.015	0	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0815	1	1
Leishmania major	cathepsin L-like protease	0.0815	1	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.0815	0.0815
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.0815	0.0815
Plasmodium vivax	unspecified product	0.042	0.4054	0.4054
Brugia malayi	cathepsin L-like precursor	0.0546	0.5946	0.5946
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.042	0.4054	0.4054
Entamoeba histolytica	cysteine protease, putative	0.042	0.4054	0.4054
Onchocerca volvulus	Cathepsin L homolog	0.0815	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0546	0.5946	0.5946
Echinococcus granulosus	cathepsin L	0.042	0.4054	0.4054
Brugia malayi	cathepsin F-like cysteine proteinase	0.027	0.1791	0.1791
Leishmania major	cathepsin L-like protease	0.0815	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0815	1	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.0815	0.0815
Loa Loa (eye worm)	hypothetical protein	0.0546	0.5946	0.5946
Entamoeba histolytica	cysteine protease, putative	0.042	0.4054	0.4054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0815	1	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0216	0.0981	0.0981
Trypanosoma cruzi	cruzipain precursor, putative	0.027	0.1791	0.1791
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0312	0.2428	0.2428
Giardia lamblia	Cathepsin B precursor	0.015	0	0.5
Giardia lamblia	Cysteine protease	0.015	0	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0815	1	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0815	1	1
Brugia malayi	Cathepsin L-like precursor	0.027	0.1791	0.1791
Giardia lamblia	Cathepsin B-like cysteine proteinase 3 precursor	0.015	0	0.5
Entamoeba histolytica	cysteine protease, putative	0.0815	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.027	0.1791	0.1791
Brugia malayi	Cathepsin L-like precursor	0.0546	0.5946	0.5946
Giardia lamblia	Cysteine protease	0.015	0	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0815	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0815	1	1
Loa Loa (eye worm)	hypothetical protein	0.0815	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0815	1	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.2428	0.2428
Giardia lamblia	Cathepsin B precursor	0.015	0	0.5
Onchocerca volvulus		0.0815	1	1
Leishmania major	cathepsin L-like protease	0.0815	1	1
Echinococcus multilocularis	cysteine protease	0.0815	1	1
Giardia lamblia	Encystation-specific protease	0.015	0	0.5
Entamoeba histolytica	cysteine proteinase, putative	0.042	0.4054	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0815	1	1
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.015	0	0.5
Brugia malayi	Cathepsin L-like precursor	0.0815	1	1
Giardia lamblia	Cathepsin L precursor	0.015	0	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0815	1	1
Giardia lamblia	Hypothetical protein	0.015	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.027	0.1791	0.1791
Plasmodium vivax	vivapain-2	0.0815	1	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0216	0.0981	0.0981
Giardia lamblia	Cathepsin L precursor	0.015	0	0.5
Schistosoma mansoni	cathepsin F (C01 family)	0.0546	0.5946	0.5946
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0546	0.5946	0.5946
Leishmania major	cathepsin L-like protease	0.0815	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0815	1	1
Loa Loa (eye worm)	hypothetical protein	0.027	0.1791	0.1791
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.0815	0.0815
Onchocerca volvulus	Glucosylceramidase homolog	0.0205	0.0815	0.0815
Trypanosoma cruzi	cysteine peptidase, putative	0.0815	1	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.0815	0.0815
Entamoeba histolytica	cysteine protease, putative	0.042	0.4054	0.4054
Echinococcus multilocularis	cathepsin L cysteine protease	0.0815	1	1
Onchocerca volvulus		0.0815	1	1
Echinococcus multilocularis	cysteine protease	0.0815	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0815	1	1
Plasmodium vivax	unspecified product	0.027	0.1791	0.1791
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0815	1	1
Entamoeba histolytica	cysteine protease, putative	0.042	0.4054	0.4054
Giardia lamblia	Cathepsin L precursor	0.015	0	0.5
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0815	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0815	1	1
Plasmodium vivax	vivapain-1	0.042	0.4054	0.4054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0815	1	1
Entamoeba histolytica	cysteine protease, putative	0.042	0.4054	0.4054
Leishmania major	cathepsin L-like protease	0.0815	1	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0815	1	1
Leishmania major	cathepsin L-like protease	0.0815	1	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0815	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0815	1	1
Trypanosoma cruzi	cysteine protease, putative	0.042	0.4054	0.4054
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.042	0.4054	0.4054
Trypanosoma cruzi	cysteine peptidase, putative	0.042	0.4054	0.4054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.042	0.4054	0.4054
Entamoeba histolytica	cysteine proteinase 2	0.042	0.4054	0.4054
Giardia lamblia	Cathepsin B precursor	0.015	0	0.5
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.0815	0.0815
Plasmodium vivax	vivapain-3	0.042	0.4054	0.4054
Entamoeba histolytica	cysteine protease, putative	0.042	0.4054	0.4054
Entamoeba histolytica	cysteine proteinase, putative	0.042	0.4054	0.4054
Entamoeba histolytica	cysteine protease, putative	0.042	0.4054	0.4054
Echinococcus multilocularis	cathepsin L	0.042	0.4054	0.4054
Onchocerca volvulus	Cathepsin F homolog	0.0815	1	1
Leishmania major	cathepsin L-like protease	0.0815	1	1
Brugia malayi	Papain family cysteine protease containing protein	0.0815	1	1
Brugia malayi	Cathepsin L-like precursor	0.0815	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0815	1	1
Onchocerca volvulus		0.0546	0.5946	0.5946
Giardia lamblia	Cysteine protease	0.015	0	0.5
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0815	1	1
Giardia lamblia	Cathepsin B precursor	0.015	0	0.5
Entamoeba histolytica	cysteine proteinase, putative	0.042	0.4054	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0815	1	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.0815	0.0815
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0815	1	1
Echinococcus granulosus	cathepsin L cysteine protease	0.042	0.4054	0.4054
Giardia lamblia	Cathepsin L precursor	0.015	0	0.5
Plasmodium falciparum	cysteine proteinase falcipain 1	0.042	0.4054	0.4054
Entamoeba histolytica	cysteine protease, putative	0.042	0.4054	0.4054
Trypanosoma cruzi	cysteine proteinase, putative	0.042	0.4054	0.4054
Entamoeba histolytica	cysteine proteinase, putative	0.042	0.4054	0.4054
Echinococcus granulosus	cysteine protease	0.042	0.4054	0.4054
Toxoplasma gondii	cathepsin CPL	0.0815	1	1
Giardia lamblia	Cathepsin B precursor	0.015	0	0.5
Trypanosoma cruzi	cysteine proteinase, putative	0.042	0.4054	0.4054
Schistosoma mansoni	cathepsin F (C01 family)	0.0815	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0815	1	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.042	0.4054	0.4054
Entamoeba histolytica	cysteine protease, putative	0.042	0.4054	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0815	1	1
Entamoeba histolytica	cysteine proteinase 1, putative	0.042	0.4054	0.4054
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.027	0.1791	0.1791
Giardia lamblia	Cathepsin B precursor	0.015	0	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0815	1	1
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.015	0	0.5
Onchocerca volvulus		0.0815	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	3.1623 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845]	ChEMBL.	No reference
Potency (functional)	4.1475 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	= 12.5893 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (binding)	= 15.8489 um	PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)]	ChEMBL.	No reference
Potency (functional)	= 15.8489 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))]	ChEMBL.	No reference
Potency (functional)	25.1189 uM	PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855]	ChEMBL.	No reference
Potency (functional)	= 28.1838 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))]	ChEMBL.	No reference
Potency (functional)	32.6427 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	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.

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External resources for this compound

ChEMBL: CHEMBL3211972

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1886547