TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 418.53 | Formula: C20H22N2O4S2
H donors: 0 H acceptors: 3 LogP: 3.49 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCOc1cccc2c1n(CC)/c(=N\C(=O)CCS(=O)(=O)c1ccccc1)/s2
InChi: 1S/C20H22N2O4S2/c1-3-22-19-16(26-4-2)11-8-12-17(19)27-20(22)21-18(23)13-14-28(24,25)15-9-6-5-7-10-15/h5-12H,3-4,13-14H2,1-2H3/b21-20+
InChiKey: MRRXXRRDMOCGEQ-QZQOTICOSA-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
Homo sapiens	peptidylprolyl cis/trans isomerase, NIMA-interacting 1	Starlite/ChEMBL	No references
Homo sapiens	nuclear factor, erythroid 2-like 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Neospora caninum	peptidyl-prolyl cis-trans isomerase NIMA- interacting 1, putative	Get druggable targets OG5_128367	All targets in OG5_128367
Leishmania donovani	peptidyl-prolyl cis-trans isomerase/rotamase, putative	Get druggable targets OG5_128367	All targets in OG5_128367
Toxoplasma gondii	peptidylprolyl isomerase	Get druggable targets OG5_128367	All targets in OG5_128367
Schistosoma mansoni	rotamase	Get druggable targets OG5_128367	All targets in OG5_128367
Leishmania infantum	peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative	Get druggable targets OG5_128367	All targets in OG5_128367
Trichomonas vaginalis	rotamase, putative	Get druggable targets OG5_128367	All targets in OG5_128367
Leishmania major	peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative	Get druggable targets OG5_128367	All targets in OG5_128367
Leishmania mexicana	peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative	Get druggable targets OG5_128367	All targets in OG5_128367
Echinococcus multilocularis	expressed protein	Get druggable targets OG5_128367	All targets in OG5_128367
Brugia malayi	Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1	Get druggable targets OG5_128367	All targets in OG5_128367
Trypanosoma brucei gambiense	peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative	Get druggable targets OG5_128367	All targets in OG5_128367
Candida albicans	peptidylprolyl cis/trans isomerase isolated by functional complementation of S. cerevisiae ESS1 (YJR017C) which interacts with t	Get druggable targets OG5_128367	All targets in OG5_128367
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	Get druggable targets OG5_128367	All targets in OG5_128367
Babesia bovis	peptidyl-prolyl cis-trans isomerase, putative	Get druggable targets OG5_128367	All targets in OG5_128367
Trypanosoma brucei	peptidyl-prolyl cis-trans isomerase/rotamase, putative	Get druggable targets OG5_128367	All targets in OG5_128367
Echinococcus granulosus	expressed protein	Get druggable targets OG5_128367	All targets in OG5_128367
Leishmania braziliensis	peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative	Get druggable targets OG5_128367	All targets in OG5_128367
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	Get druggable targets OG5_128367	All targets in OG5_128367
Schistosoma japonicum	ko:K09578 peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, putative	Get druggable targets OG5_128367	All targets in OG5_128367
Candida albicans	peptidylprolyl cis/trans isomerase isolated by functional complementation of S. cerevisiae ESS1 (YJR017C) which interacts with t	Get druggable targets OG5_128367	All targets in OG5_128367
Trichomonas vaginalis	rotamase, putative	Get druggable targets OG5_128367	All targets in OG5_128367
Trypanosoma congolense	peptidyl-prolyl cis-trans isomerase/rotamase, putative	Get druggable targets OG5_128367	All targets in OG5_128367
Theileria parva	peptidyl-prolyl cis-trans isomerase, putative	Get druggable targets OG5_128367	All targets in OG5_128367
Loa Loa (eye worm)	Pin1-type peptidyl-prolyl cis-trans isomerase	Get druggable targets OG5_128367	All targets in OG5_128367
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, putative	Get druggable targets OG5_128367	All targets in OG5_128367
Trichomonas vaginalis	conserved hypothetical protein	Get druggable targets OG5_128367	All targets in OG5_128367

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Leishmania major	peptidyl-prolyl cis-trans isomerase, putative	peptidylprolyl cis/trans isomerase, NIMA-interacting 1	163 aa	133 aa	27.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	Cathepsin L-like precursor	0.008	0.3159	0.3108
Echinococcus granulosus	cathepsin L cysteine proteinase	0.008	0.3159	0.3108
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.008	0.3159	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0169	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.008	0.3159	0.3159
Entamoeba histolytica	cysteine proteinase, putative	0.0044	0.0332	0.1051
Entamoeba histolytica	cysteine proteinase, putative	0.008	0.3159	1
Leishmania major	cathepsin L-like protease	0.008	0.3159	1
Entamoeba histolytica	cysteine proteinase, putative	0.0055	0.1231	0.3898
Entamoeba histolytica	cysteine protease, putative	0.0044	0.0332	0.1051
Entamoeba histolytica	cysteine protease, putative	0.0044	0.0332	0.1051
Entamoeba histolytica	hypothetical protein	0.0043	0.0312	0.0989
Entamoeba histolytica	cysteine protease, putative	0.0044	0.0332	0.1051
Schistosoma mansoni	cathepsin F (C01 family)	0.0055	0.1231	0.1167
Giardia lamblia	Cathepsin B precursor	0.0065	0.1991	0.5
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0055	0.1231	0.1167
Onchocerca volvulus		0.008	0.3159	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.008	0.3159	1
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0065	0.1991	0.6302
Brugia malayi	Papain family cysteine protease containing protein	0.0044	0.0332	0.0261
Brugia malayi	Cathepsin L-like precursor	0.0055	0.1231	0.1167
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.008	0.3159	1
Toxoplasma gondii	cathepsin B	0.0065	0.1991	0.6302
Toxoplasma gondii	cathepsin CPL	0.008	0.3159	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.008	0.3159	1
Entamoeba histolytica	cysteine protease, putative	0.0044	0.0332	0.1051
Entamoeba histolytica	cysteine proteinase, putative	0.008	0.3159	1
Leishmania major	cathepsin L-like protease	0.008	0.3159	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.008	0.3159	1
Echinococcus granulosus	cathepsin b	0.0169	1	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.008	0.3159	0.3108
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0044	0.0332	0.1051
Entamoeba histolytica	cysteine protease, putative	0.0044	0.0332	0.1051
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.008	0.3159	1
Loa Loa (eye worm)	cathepsin B	0.0065	0.1991	0.1932
Entamoeba histolytica	hypothetical protein	0.0043	0.0312	0.0989
Entamoeba histolytica	cysteine protease, putative	0.008	0.3159	1
Leishmania major	cathepsin L-like protease	0.008	0.3159	1
Echinococcus multilocularis	cathepsin L	0.0044	0.0332	0.0261
Onchocerca volvulus		0.008	0.3159	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0043	0.0312	0.0241
Trypanosoma cruzi	cruzipain precursor, putative	0.008	0.3159	0.3159
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.008	0.3159	1
Leishmania major	cathepsin L-like protease	0.008	0.3159	1
Trypanosoma cruzi	cysteine peptidase, putative	0.008	0.3159	0.3159
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.008	0.3159	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.008	0.3159	1
Giardia lamblia	Cathepsin B precursor	0.0065	0.1991	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0044	0.0332	0.1051
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.008	0.3159	0.3108
Loa Loa (eye worm)	hypothetical protein	0.0055	0.1231	0.1167
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.008	0.3159	1
Brugia malayi	Cathepsin L-like precursor	0.008	0.3159	0.3108
Brugia malayi	Papain family cysteine protease containing protein	0.008	0.3159	0.3108
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.008	0.3159	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.008	0.3159	0.3108
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.008	0.3159	1
Plasmodium vivax	vivapain-2	0.008	0.3159	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.008	0.3159	1
Loa Loa (eye worm)	hypothetical protein	0.0055	0.1231	0.1167
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.008	0.3159	1
Entamoeba histolytica	cysteine protease, putative	0.0044	0.0332	0.1051
Trichomonas vaginalis	rotamase, putative	0.004	0.0073	0.0231
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.008	0.3159	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0044	0.0332	0.0261
Plasmodium falciparum	cysteine proteinase falcipain 3	0.008	0.3159	1
Schistosoma mansoni	cathepsin F (C01 family)	0.008	0.3159	0.3108
Entamoeba histolytica	cysteine proteinase 2	0.0044	0.0332	0.1051
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0065	0.1991	0.6302
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0169	1	1
Brugia malayi	Papain family cysteine protease containing protein	0.0044	0.0332	0.0261
Echinococcus granulosus	cysteine protease	0.0044	0.0332	0.0261
Onchocerca volvulus	Cathepsin L homolog	0.008	0.3159	1
Leishmania major	cathepsin L-like protease	0.008	0.3159	1
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0044	0.0332	0.0332
Echinococcus granulosus	cathepsin L	0.0044	0.0332	0.0261
Entamoeba histolytica	cysteine protease, putative	0.0044	0.0332	0.1051
Entamoeba histolytica	cysteine protease, putative	0.0044	0.0332	0.1051
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.008	0.3159	1
Leishmania major	cathepsin L-like protease	0.008	0.3159	1
Onchocerca volvulus		0.008	0.3159	1
Loa Loa (eye worm)	cysteine protease	0.008	0.3159	0.3108
Onchocerca volvulus		0.008	0.3159	1
Schistosoma mansoni	hypothetical protein	0.0043	0.0312	0.0241
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.008	0.3159	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.008	0.3159	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0065	0.1991	0.1991
Schistosoma mansoni	transcription factor LCR-F1	0.0043	0.0312	0.0241
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0169	1	1
Brugia malayi	Cathepsin L-like precursor	0.008	0.3159	0.3108
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0065	0.1991	0.6302
Trypanosoma cruzi	cysteine protease, putative	0.0044	0.0332	0.0332
Loa Loa (eye worm)	ctsf protein	0.008	0.3159	0.3108
Trichomonas vaginalis	conserved hypothetical protein	0.004	0.0073	0.0231
Brugia malayi	cathepsin L-like precursor	0.0055	0.1231	0.1167
Echinococcus granulosus	cathepsin l cysteine peptidase	0.008	0.3159	0.3108
Leishmania major	cathepsin L-like protease	0.008	0.3159	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0169	1	1
Echinococcus multilocularis	cysteine protease	0.008	0.3159	0.3108
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.008	0.3159	1
Onchocerca volvulus		0.008	0.3159	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.008	0.3159	1
Brugia malayi	hypothetical protein	0.0043	0.0312	0.0241
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.008	0.3159	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.008	0.3159	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0055	0.1231	0.3898
Entamoeba histolytica	cysteine proteinase, putative	0.0044	0.0332	0.1051
Onchocerca volvulus		0.008	0.3159	1
Trypanosoma cruzi	cysteine proteinase, putative	0.0044	0.0332	0.0332
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0044	0.0332	0.0261
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0044	0.0332	0.0261
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.008	0.3159	0.3108
Echinococcus multilocularis	cathepsin b	0.0169	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.008	0.3159	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.008	0.3159	1
Loa Loa (eye worm)	fibroinase	0.008	0.3159	0.3108
Trypanosoma cruzi	cysteine peptidase, putative	0.0044	0.0332	0.0332
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.008	0.3159	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.008	0.3159	1
Entamoeba histolytica	hypothetical protein	0.0043	0.0312	0.0989
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.008	0.3159	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0065	0.1991	0.1932
Echinococcus multilocularis	cathepsin L cysteine protease	0.008	0.3159	0.3108
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0044	0.0332	0.1051
Echinococcus granulosus	cathepsin L cysteine protease	0.0044	0.0332	0.0261
Brugia malayi	Cathepsin L-like precursor	0.008	0.3159	0.3108
Trypanosoma cruzi	cysteine peptidase, putative	0.008	0.3159	0.3159
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0043	0.0312	0.0241
Echinococcus multilocularis	cathepsin b	0.0169	1	1
Brugia malayi	Cathepsin L-like precursor	0.0055	0.1231	0.1167
Entamoeba histolytica	cysteine protease, putative	0.0044	0.0332	0.1051
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.008	0.3159	1
Echinococcus granulosus	cathepsin b	0.0169	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.008	0.3159	1
Echinococcus multilocularis	cysteine protease	0.008	0.3159	0.3108
Entamoeba histolytica	cysteine protease, putative	0.0044	0.0332	0.1051
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.008	0.3159	1
Entamoeba histolytica	cysteine proteinase, putative	0.0044	0.0332	0.1051
Leishmania major	cysteine peptidase A (CPA)	0.008	0.3159	1
Entamoeba histolytica	cysteine protease, putative	0.0044	0.0332	0.1051
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0169	1	1
Brugia malayi	Cathepsin L-like precursor	0.008	0.3159	0.3108
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.008	0.3159	1
Entamoeba histolytica	cysteine protease, putative	0.0044	0.0332	0.1051
Entamoeba histolytica	cysteine proteinase 1, putative	0.0044	0.0332	0.1051
Entamoeba histolytica	cysteine protease, putative	0.0044	0.0332	0.1051
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.008	0.3159	1
Echinococcus granulosus	cathepsin l1	0.008	0.3159	0.3108
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.008	0.3159	1
Brugia malayi	Cathepsin L-like precursor	0.008	0.3159	0.3108
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0044	0.0332	0.1051
Leishmania major	cathepsin L-like protease	0.008	0.3159	1
Giardia lamblia	Cathepsin B precursor	0.0065	0.1991	0.5
Trypanosoma cruzi	cysteine peptidase, putative	0.008	0.3159	0.3159
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.008	0.3159	1
Onchocerca volvulus	Cathepsin L homolog	0.008	0.3159	1
Plasmodium vivax	vivapain-2	0.008	0.3159	1
Onchocerca volvulus		0.008	0.3159	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.008	0.3159	0.3108
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.008	0.3159	1
Entamoeba histolytica	hypothetical protein	0.0043	0.0312	0.0989
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0055	0.1231	0.3898
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0055	0.1231	0.1231
Entamoeba histolytica	cysteine proteinase, putative	0.0044	0.0332	0.1051
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.008	0.3159	1
Schistosoma mansoni	cathepsin F (C01 family)	0.008	0.3159	0.3108
Loa Loa (eye worm)	hypothetical protein	0.0169	1	1
Loa Loa (eye worm)	hypothetical protein	0.0055	0.1231	0.1167
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.008	0.3159	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.008	0.3159	1
Loa Loa (eye worm)	hypothetical protein	0.008	0.3159	0.3108
Trypanosoma cruzi	cysteine proteinase, putative	0.0044	0.0332	0.0332
Onchocerca volvulus	Cathepsin F homolog	0.008	0.3159	1
Echinococcus granulosus	cathepsin l1	0.0055	0.1231	0.1167

Activities

Activity type	Activity value	Assay description	Source	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)	14.7157 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)	18.3564 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference
Potency (functional)	19.9526 uM	PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	31.6228 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)	79.4328 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)	89.1251 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273]	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: CHEMBL3211811

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1886858