TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 314.336 | Formula: C17H18N2O4
H donors: 2 H acceptors: 2 LogP: 2.76 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCO/C(=C(/C(=O)c1ccccc1)\C(=N)NCc1ccco1)/O
InChi: 1S/C17H18N2O4/c1-2-22-17(21)14(15(20)12-7-4-3-5-8-12)16(18)19-11-13-9-6-10-23-13/h3-10,21H,2,11H2,1H3,(H2,18,19)/b17-14-
InChiKey: JHJSSMGEQVNEKL-VKAVYKQESA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	SMAD family member 2	Starlite/ChEMBL	No references
Homo sapiens	tumor protein p53	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Homo sapiens	ATPase family, AAA domain containing 5	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	transcription factor SMAD2	Get druggable targets OG5_131716	All targets in OG5_131716
Echinococcus granulosus	tumor protein p63	Get druggable targets OG5_140038	All targets in OG5_140038
Brugia malayi	MH2 domain containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Loa Loa (eye worm)	MH2 domain-containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Echinococcus multilocularis	tumor protein p63	Get druggable targets OG5_140038	All targets in OG5_140038
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	Get druggable targets OG5_139225	All targets in OG5_139225

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %
Brugia malayi	MH2 domain containing protein	SMAD family member 2	467 aa	405 aa	31.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Entamoeba histolytica	cysteine protease, putative	0.0614	0.2968	0.4054
Plasmodium vivax	vivapain-2	0.1144	0.5801	1
Loa Loa (eye worm)	hypothetical protein	0.1144	0.5801	0.5801
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.1144	0.5801	1
Loa Loa (eye worm)	hypothetical protein	0.006	0.0003	0.0003
Entamoeba histolytica	cysteine protease, putative	0.0614	0.2968	0.4054
Loa Loa (eye worm)	hypothetical protein	0.0783	0.387	0.387
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.1144	0.5801	1
Loa Loa (eye worm)	hypothetical protein	0.0253	0.1036	0.1036
Brugia malayi	cathepsin L precursor	0.0253	0.1036	0.1034
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.1144	0.5801	1
Giardia lamblia	Cathepsin B precursor	0.0771	0.3808	1
Brugia malayi	Cathepsin L-like precursor	0.1144	0.5801	0.58
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0783	0.387	0.5946
Trypanosoma cruzi	cysteine peptidase, putative	0.0614	0.2968	0.2155
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1144	0.5801	1
Schistosoma mansoni	cathepsin B (C01 family)	0.0253	0.1036	0.1036
Entamoeba histolytica	cysteine proteinase 1, putative	0.0614	0.2968	0.4054
Leishmania major	cathepsin L-like protease	0.1144	0.5801	1
Entamoeba histolytica	cysteine proteinase, putative	0.1144	0.5801	1
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0253	0.1036	0.1034
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.1144	0.5801	1
Brugia malayi	cahepsin L-like non-peptiedase homolog	0.0253	0.1036	0.1034
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.1929	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.1144	0.5801	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1144	0.5801	1
Echinococcus multilocularis	cathepsin b	0.1929	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1144	0.5801	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.1929	1	1
Leishmania major	cathepsin L-like protease	0.1144	0.5801	1
Loa Loa (eye worm)	hypothetical protein	0.0253	0.1036	0.1036
Entamoeba histolytica	cysteine protease, putative	0.0614	0.2968	0.4054
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.1144	0.5801	1
Loa Loa (eye worm)	hypothetical protein	0.0253	0.1036	0.1036
Brugia malayi	Cathepsin L-like precursor	0.1144	0.5801	0.58
Entamoeba histolytica	cysteine protease, putative	0.0614	0.2968	0.4054
Entamoeba histolytica	cysteine proteinase, putative	0.0614	0.2968	0.4054
Brugia malayi	Cathepsin L-like precursor	0.1144	0.5801	0.58
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1144	0.5801	1
Brugia malayi	Papain family cysteine protease containing protein	0.0614	0.2968	0.2966
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0253	0.1036	0.1036
Brugia malayi	fibroinase precursor	0.0253	0.1036	0.1034
Trypanosoma cruzi	cysteine peptidase, putative	0.1144	0.5801	0.5316
Brugia malayi	cathepsin L-like cysteine proteinase	0.0253	0.1036	0.1034
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.1144	0.5801	1
Trypanosoma cruzi	cysteine proteinase, putative	0.0614	0.2968	0.2155
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.1144	0.5801	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0253	0.1036	0.1036
Entamoeba histolytica	cysteine protease, putative	0.0614	0.2968	0.4054
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.1144	0.5801	0.5316
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.1144	0.5801	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0361	0.1612	0.0643
Giardia lamblia	Cathepsin B precursor	0.0771	0.3808	1
Onchocerca volvulus		0.1144	0.5801	1
Loa Loa (eye worm)	hypothetical protein	0.0253	0.1036	0.1036
Echinococcus multilocularis	cathepsin L	0.0614	0.2968	0.2155
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0614	0.2968	0.4054
Trypanosoma cruzi	cysteine peptidase, putative	0.1144	0.5801	0.5316
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.1144	0.5801	1
Brugia malayi	cathepsin L-like precursor	0.0783	0.387	0.3868
Echinococcus granulosus	cathepsin L cysteine protease	0.0614	0.2968	0.2155
Leishmania major	cathepsin L-like protease	0.1144	0.5801	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0361	0.1612	0.1612
Brugia malayi	Cathepsin L-like precursor	0.1144	0.5801	0.58
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1144	0.5801	1
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0771	0.3808	0.2966
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0614	0.2968	0.2968
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.1144	0.5801	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.1144	0.5801	0.5316
Echinococcus granulosus	cathepsin l cysteine peptidase	0.1144	0.5801	0.5316
Entamoeba histolytica	cysteine proteinase, putative	0.0614	0.2968	0.4054
Onchocerca volvulus	Cathepsin L homolog	0.1144	0.5801	1
Onchocerca volvulus		0.1144	0.5801	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.1144	0.5801	1
Schistosoma mansoni	cathepsin S (C01 family)	0.0253	0.1036	0.1036
Trypanosoma cruzi	cruzipain precursor, putative	0.0361	0.1612	0.0643
Leishmania major	cathepsin L-like protease	0.1144	0.5801	1
Onchocerca volvulus		0.1144	0.5801	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.1144	0.5801	1
Trypanosoma cruzi	cysteine peptidase, putative	0.1144	0.5801	0.5316
Leishmania major	cysteine peptidase A (CPA)	0.1144	0.5801	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1144	0.5801	1
Onchocerca volvulus		0.1144	0.5801	1
Onchocerca volvulus		0.1144	0.5801	1
Echinococcus granulosus	cathepsin l1	0.1144	0.5801	0.5316
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.1144	0.5801	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1929	1	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.0452	0.0452
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1929	1	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.1144	0.5801	0.5316
Echinococcus multilocularis	cathepsin b	0.1929	1	1
Echinococcus multilocularis	cysteine protease	0.1144	0.5801	0.5316
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.1144	0.5801	0.5801
Entamoeba histolytica	cysteine protease, putative	0.0614	0.2968	0.4054
Entamoeba histolytica	cysteine protease, putative	0.0614	0.2968	0.4054
Toxoplasma gondii	cathepsin B	0.0771	0.3808	0.5818
Loa Loa (eye worm)	cysteine proteinase cathepsin Z	0.0253	0.1036	0.1036
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1144	0.5801	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0253	0.1036	0.1036
Brugia malayi	Papain family cysteine protease containing protein	0.0253	0.1036	0.1034
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0614	0.2968	0.4054
Entamoeba histolytica	cysteine protease, putative	0.0614	0.2968	0.4054
Loa Loa (eye worm)	ctsf protein	0.1144	0.5801	0.5801
Entamoeba histolytica	cysteine proteinase, putative	0.1144	0.5801	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1144	0.5801	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0771	0.3808	0.3093
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0253	0.1036	0.1036
Echinococcus granulosus	cathepsin b	0.1929	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.1144	0.5801	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.1144	0.5801	1
Loa Loa (eye worm)	hypothetical protein	0.0253	0.1036	0.1036
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0783	0.387	0.3161
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.1144	0.5801	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0003	0.0003
Leishmania major	cathepsin L-like protease	0.1144	0.5801	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0771	0.3808	0.3808
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.1144	0.5801	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.1144	0.5801	1
Leishmania major	cathepsin L-like protease	0.1144	0.5801	1
Plasmodium vivax	vivapain-2	0.1144	0.5801	1
Brugia malayi	Papain family cysteine protease containing protein	0.0614	0.2968	0.2966
Echinococcus granulosus	cysteine protease	0.0614	0.2968	0.2155
Giardia lamblia	Cathepsin B precursor	0.0771	0.3808	1
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0614	0.2968	0.2155
Brugia malayi	cathepsin F-like cysteine proteinase	0.0253	0.1036	0.1034
Entamoeba histolytica	cysteine protease, putative	0.1144	0.5801	1
Plasmodium vivax	unspecified product	0.0361	0.1612	0.1209
Entamoeba histolytica	cysteine proteinase 2	0.0614	0.2968	0.4054
Echinococcus granulosus	tumor protein p63	0.0408	0.1864	0.0923
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0361	0.1612	0.161
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.1144	0.5801	0.5801
Plasmodium falciparum	cysteine proteinase falcipain 3	0.1144	0.5801	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.1144	0.5801	0.5316
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0979	0.492	0.4333
Brugia malayi	Cathepsin L-like precursor	0.0361	0.1612	0.161
Entamoeba histolytica	cysteine protease, putative	0.0614	0.2968	0.4054
Onchocerca volvulus	Cathepsin L homolog	0.1144	0.5801	1
Loa Loa (eye worm)	hypothetical protein	0.0361	0.1612	0.1612
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0614	0.2968	0.2968
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1929	1	1
Loa Loa (eye worm)	hypothetical protein	0.0361	0.1612	0.1612
Onchocerca volvulus	Cathepsin F homolog	0.1144	0.5801	1
Loa Loa (eye worm)	cysteine protease	0.1144	0.5801	0.5801
Entamoeba histolytica	cysteine protease, putative	0.0614	0.2968	0.4054
Toxoplasma gondii	cathepsin CPL	0.1144	0.5801	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0253	0.1036	0.1036
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.1144	0.5801	1
Schistosoma mansoni	subfamily C1A non-peptidase homologue (C01 family)	0.0253	0.1036	0.1036
Loa Loa (eye worm)	hypothetical protein	0.0783	0.387	0.387
Echinococcus granulosus	cathepsin L	0.0614	0.2968	0.2155
Brugia malayi	Cathepsin L-like precursor	0.1144	0.5801	0.58
Loa Loa (eye worm)	fibroinase	0.1144	0.5801	0.5801
Entamoeba histolytica	cysteine protease, putative	0.0614	0.2968	0.4054
Echinococcus granulosus	cathepsin L cysteine proteinase	0.1144	0.5801	0.5316
Brugia malayi	Papain family cysteine protease containing protein	0.0253	0.1036	0.1034
Plasmodium vivax	vivapain-3	0.0614	0.2968	0.4054
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0253	0.1036	0.1036
Brugia malayi	Cathepsin L-like precursor	0.1144	0.5801	0.58
Onchocerca volvulus		0.1144	0.5801	1
Loa Loa (eye worm)	hypothetical protein	0.1929	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1144	0.5801	1
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0253	0.1036	0.1036
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1144	0.5801	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.0452	0.0452
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0783	0.387	0.5946
Echinococcus multilocularis	cysteine protease	0.1144	0.5801	0.5316
Trypanosoma cruzi	cruzipain precursor, putative	0.1144	0.5801	0.5316
Echinococcus multilocularis	tumor protein p63	0.0408	0.1864	0.0923
Loa Loa (eye worm)	hypothetical protein	0.0253	0.1036	0.1036
Entamoeba histolytica	cysteine protease, putative	0.0614	0.2968	0.4054
Entamoeba histolytica	cysteine protease, putative	0.0614	0.2968	0.4054
Schistosoma mansoni	cathepsin C	0.0253	0.1036	0.1036
Schistosoma mansoni	cathepsin F (C01 family)	0.1144	0.5801	0.5801
Entamoeba histolytica	cysteine proteinase, putative	0.0783	0.387	0.5946
Loa Loa (eye worm)	cathepsin B	0.0771	0.3808	0.3808
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0253	0.1036	0.1034
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.1144	0.5801	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.1144	0.5801	1
Entamoeba histolytica	cysteine proteinase, putative	0.0614	0.2968	0.4054
Trypanosoma cruzi	cysteine proteinase, putative	0.0614	0.2968	0.2155
Schistosoma mansoni	dipeptidyl-peptidase I (C01 family)	0.0253	0.1036	0.1036
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1144	0.5801	1
Brugia malayi	MH2 domain containing protein	0.0144	0.0452	0.0449
Onchocerca volvulus		0.0253	0.1036	0.1786
Schistosoma mansoni	cathepsin F (C01 family)	0.1144	0.5801	0.5801
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0783	0.387	0.3868
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0614	0.2968	0.2968
Echinococcus granulosus	cathepsin l1	0.0783	0.387	0.3161
Plasmodium vivax	vivapain-1	0.0614	0.2968	0.4054
Loa Loa (eye worm)	hypothetical protein	0.0783	0.387	0.387
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0253	0.1036	0.1036
Brugia malayi	Cathepsin L-like precursor	0.0783	0.387	0.3868
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0771	0.3808	0.5818
Echinococcus granulosus	cathepsin b	0.1929	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1144	0.5801	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1144	0.5801	1
Onchocerca volvulus		0.1144	0.5801	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.1144	0.5801	1
Schistosoma mansoni	cathepsin s	0.0361	0.1612	0.1612
Trypanosoma cruzi	cysteine peptidase, putative	0.1144	0.5801	0.5316
Brugia malayi	Papain family cysteine protease containing protein	0.1144	0.5801	0.58
Onchocerca volvulus	Cathepsin L homolog	0.0253	0.1036	0.1786
Schistosoma mansoni	cathepsin F (C01 family)	0.0783	0.387	0.387
Loa Loa (eye worm)	hypothetical protein	0.0361	0.1612	0.1612
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1144	0.5801	1
Onchocerca volvulus		0.0783	0.387	0.667
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0253	0.1036	0.1036
Entamoeba histolytica	cysteine proteinase, putative	0.0614	0.2968	0.4054
Brugia malayi	cathepsin F-like cysteine proteinase	0.0361	0.1612	0.161
Brugia malayi	Cathepsin L-like precursor	0.0783	0.387	0.3868
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0614	0.2968	0.4054
Trypanosoma cruzi	cysteine protease, putative	0.0614	0.2968	0.2155
Plasmodium vivax	unspecified product	0.0614	0.2968	0.4054
Leishmania major	cathepsin L-like protease	0.1144	0.5801	1
Brugia malayi	Papain family cysteine protease containing protein	0.0253	0.1036	0.1034
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.1144	0.5801	1
Leishmania major	cathepsin L-like protease	0.1144	0.5801	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.1122 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (functional)	7.9433 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	10 uM	PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709]	ChEMBL.	No reference
Potency (functional)	10.4179 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	16.3601 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)	= 22.3872 um	PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (binding)	= 25.1189 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)	28.1838 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402]	ChEMBL.	No reference
Potency (functional)	100 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.

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: CHEMBL3214397

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 1882581