TDR Targets

Basic information

Technical information

TDR Targets ID: 1241967
Name: 6-[6-(2-amino-2-oxoethyl)sulfanyl-8-oxo-[1,3] dioxolo[4,5-g]quinazolin-7-yl]-N-[2-(3,4-dime thoxyphenyl)ethyl]hexanamide
MW: 556.631 | Formula: C27H32N4O7S
H donors: 2 H acceptors: 3 LogP: 2.8 Rotable bonds: 15
Rule of 5 violations (Lipinski): 2
SMILES: COc1cc(CCNC(=O)CCCCCn2c(SCC(=O)N)nc3c(c2=O)cc2c(c3)OCO2)ccc1OC
InChi: 1S/C27H32N4O7S/c1-35-20-8-7-17(12-21(20)36-2)9-10-29-25(33)6-4-3-5-11-31-26(34)18-13-22-23(38-16-37-22)14-19(18)30-27(31)39-15-24(28)32/h7-8,12-14H,3-6,9-11,15-16H2,1-2H3,(H2,28,32)(H,29,33)
InChiKey: WPXJTKDGWUMGST-UHFFFAOYSA-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

6-[6-(2-amino-2-oxo-ethyl)sulfanyl-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide
6-[6-[(2-amino-2-oxoethyl)thio]-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide
6-[6-[(2-amino-2-keto-ethyl)thio]-8-keto-[1,3]dioxolo[4,5-g]quinazolin-7-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide
NCGC00138709-01
SMR000310773
UNM000000866601
K284-5819
6-[6-[(2-amino-2-oxoethyl)thio]-8-oxo[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide
MLS000621846

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	SMAD family member 2	Starlite/ChEMBL	No references
Homo sapiens	lamin A/C	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	Intermediate filament protein ifa-1, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	lamin dm0	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	ko:K07611 lamin, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	MH2 domain-containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Loa Loa (eye worm)	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Onchocerca volvulus		Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	transcription factor SMAD2	Get druggable targets OG5_131716	All targets in OG5_131716
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	musashi	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	cytoplasmic intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128723	All targets in OG5_128723
Brugia malayi	MH2 domain containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Schistosoma mansoni	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Brugia malayi	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	Lamin-C, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	lamin dm0	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Brugia malayi	Intermediate filament tail domain containing protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	cytoplasmic intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	intermediate filament proteins	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Onchocerca volvulus		Get druggable targets OG5_128723	All targets in OG5_128723

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
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
Loa Loa (eye worm)	hypothetical protein	0.0097	0.2332	0.2332
Loa Loa (eye worm)	transcription factor SMAD2	0.0238	0.6996	0.6996
Onchocerca volvulus	Matrilysin homolog	0.006	0.1091	0.1091
Onchocerca volvulus		0.0033	0.0196	0.0196
Loa Loa (eye worm)	intermediate filament protein	0.0033	0.0196	0.0196
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0206	0.593	0.593
Loa Loa (eye worm)	hypothetical protein	0.0109	0.2717	0.2717
Brugia malayi	ecdysteroid receptor	0.0206	0.593	0.593
Loa Loa (eye worm)	hypothetical protein	0.0097	0.2332	0.2332
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0027	0	0.5
Plasmodium falciparum	metacaspase 1	0.0027	0	0.5
Schistosoma mansoni	hypothetical protein	0.0085	0.1915	0.1915
Schistosoma mansoni	thyroid hormone receptor	0.0206	0.593	0.593
Loa Loa (eye worm)	hypothetical protein	0.0329	1	1
Onchocerca volvulus	Bile acid receptor homolog	0.0206	0.593	0.593
Loa Loa (eye worm)	hypothetical protein	0.0109	0.2717	0.2717
Onchocerca volvulus		0.0329	1	1
Loa Loa (eye worm)	hypothetical protein	0.006	0.1091	0.1091
Plasmodium falciparum	metacaspase-like protein	0.0027	0	0.5
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0097	0.2332	0.2332
Echinococcus multilocularis	lamin dm0	0.0033	0.0196	0.0196
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0097	0.2332	0.2332
Schistosoma mansoni	nuclear receptor nhr-48	0.0097	0.2332	0.2332
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0206	0.593	0.593
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0206	0.593	0.593
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0097	0.2332	0.2332
Schistosoma mansoni	nuclear hormone receptor	0.0097	0.2332	0.2332
Onchocerca volvulus		0.006	0.1091	0.1091
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0206	0.593	0.593
Loa Loa (eye worm)	hypothetical protein	0.0097	0.2332	0.2332
Onchocerca volvulus		0.0085	0.1915	0.1915
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0206	0.593	0.593
Onchocerca volvulus	Protein ultraspiracle homolog	0.0206	0.593	0.593
Loa Loa (eye worm)	hypothetical protein	0.0206	0.593	0.593
Loa Loa (eye worm)	hypothetical protein	0.0206	0.593	0.593
Brugia malayi	hypothetical protein	0.0097	0.2332	0.2332
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0097	0.2332	0.2332
Loa Loa (eye worm)	matrixin family protein	0.0132	0.3492	0.3492
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0206	0.593	0.593
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0206	0.593	0.593
Brugia malayi	nuclear receptor NHR-88	0.0206	0.593	0.593
Brugia malayi	Nuclear hormone receptor-like 1	0.0109	0.2717	0.2717
Onchocerca volvulus		0.0033	0.0196	0.0196
Onchocerca volvulus		0.0206	0.593	0.593
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0206	0.593	0.593
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0097	0.2332	0.2332
Schistosoma mansoni	hypothetical protein	0.0329	1	1
Brugia malayi	MH2 domain containing protein	0.0238	0.6996	0.6996
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0027	0	0.5
Brugia malayi	Nuclear hormone receptor E75	0.0097	0.2332	0.2332
Leishmania major	metacaspase, putative	0.0027	0	0.5
Echinococcus granulosus	thyroid hormone receptor alpha	0.0097	0.2332	0.2332
Trichomonas vaginalis	conserved hypothetical protein	0.0027	0	0.5
Plasmodium vivax	metacaspase 1, putative	0.0027	0	0.5
Brugia malayi	Nuclear hormone receptor E75	0.0097	0.2332	0.2332
Brugia malayi	Inhibitor of Apoptosis domain containing protein	0.0329	1	1
Loa Loa (eye worm)	hypothetical protein	0.0206	0.593	0.593
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0097	0.2332	0.2332
Brugia malayi	Nuclear hormone receptor-like 1	0.0206	0.593	0.593
Loa Loa (eye worm)	hypothetical protein	0.0206	0.593	0.593
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0196	0.0196
Echinococcus multilocularis	baculoviral IAP repeat containing protein	0.0329	1	1
Loa Loa (eye worm)	hypothetical protein	0.0097	0.2332	0.2332
Trypanosoma cruzi	metacaspase 5, putative	0.0027	0	0.5
Brugia malayi	hypothetical protein	0.0097	0.2332	0.2332
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0206	0.593	0.593
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0206	0.593	0.593
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0206	0.593	0.593
Brugia malayi	Matrixin family protein	0.0144	0.3887	0.3887
Echinococcus granulosus	FTZ F1 alpha	0.0206	0.593	0.593
Echinococcus multilocularis	matrix metallopeptidase 7 (M10 family)	0.0217	0.6288	0.6288
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0206	0.593	0.593
Brugia malayi	Matrix metalloprotease, N-terminal domain containing protein	0.0073	0.152	0.152
Loa Loa (eye worm)	hypothetical protein	0.0097	0.2332	0.2332
Loa Loa (eye worm)	hypothetical protein	0.0097	0.2332	0.2332
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0109	0.2717	0.2717
Brugia malayi	photoreceptor-specific nuclear receptor	0.0206	0.593	0.593
Schistosoma mansoni	RAR-like nuclear receptor	0.0206	0.593	0.593
Echinococcus granulosus	intermediate filament protein	0.0033	0.0196	0.0196
Trypanosoma brucei	metacaspase MCA2	0.0027	0	0.5
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0097	0.2332	0.2332
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0097	0.2332	0.2332
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0206	0.593	0.593
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0033	0.0196	0.0196
Trypanosoma brucei	metacaspase MCA3	0.0027	0	0.5
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0109	0.2717	0.2717
Toxoplasma gondii	ICE family protease (caspase) p20 domain-containing protein	0.0027	0	0.5
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0206	0.593	0.593
Brugia malayi	hypothetical protein	0.0109	0.2717	0.2717
Toxoplasma gondii	ICE family protease (caspase) p20 domain-containing protein	0.0027	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0206	0.593	0.593
Brugia malayi	Matrixin family protein	0.006	0.1091	0.1091
Loa Loa (eye worm)	hypothetical protein	0.0097	0.2332	0.2332
Loa Loa (eye worm)	DR-78	0.0097	0.2332	0.2332
Loa Loa (eye worm)	hypothetical protein	0.0206	0.593	0.593
Echinococcus granulosus	lamin dm0	0.0033	0.0196	0.0196
Schistosoma mansoni	matrix metallopeptidase-7 (M10 family)	0.006	0.1091	0.1091
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0206	0.593	0.593
Mycobacterium tuberculosis	Probable peptidoglycan hydrolase	0.0073	0.152	0.5
Brugia malayi	Hemopexin family protein	0.0085	0.1915	0.1915
Schistosoma mansoni	inhibitor of apoptosis (iap) domain family member	0.0329	1	1
Echinococcus multilocularis	ecdysone induced protein 78C	0.0206	0.593	0.593
Brugia malayi	nuclear receptor RXR	0.0109	0.2717	0.2717
Echinococcus granulosus	matrix metallopeptidase 7 M10 family	0.0217	0.6288	0.6288
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0206	0.593	0.593
Loa Loa (eye worm)	hypothetical protein	0.0073	0.152	0.152
Loa Loa (eye worm)	hypothetical protein	0.0109	0.2717	0.2717
Brugia malayi	Matrixin family protein	0.006	0.1091	0.1091
Brugia malayi	steroid hormone receptor	0.0206	0.593	0.593
Trichomonas vaginalis	conserved hypothetical protein	0.0027	0	0.5
Brugia malayi	Matrixin family protein	0.006	0.1091	0.1091
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0206	0.593	0.593
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0206	0.593	0.593
Echinococcus multilocularis	inhibitor of apoptosis protein	0.0329	1	1
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0206	0.593	0.593
Trichomonas vaginalis	conserved hypothetical protein	0.0027	0	0.5
Schistosoma mansoni	zinc finger protein	0.0097	0.2332	0.2332
Trichomonas vaginalis	conserved hypothetical protein	0.0027	0	0.5
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0097	0.2332	0.2332
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0206	0.593	0.593
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0206	0.593	0.593
Schistosoma mansoni	inhibitor of apoptosis protein	0.0329	1	1
Brugia malayi	ecdysone receptor	0.0097	0.2332	0.2332
Loa Loa (eye worm)	matrixin family protein	0.0144	0.3887	0.3887
Brugia malayi	intermediate filament protein	0.0033	0.0196	0.0196
Echinococcus granulosus	ecdysone induced protein 78C	0.0206	0.593	0.593
Brugia malayi	nuclear hormone receptor	0.0097	0.2332	0.2332
Trypanosoma brucei	metacaspase	0.0027	0	0.5
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0097	0.2332	0.2332
Mycobacterium leprae	PROBABLE HYDROLASE	0.0073	0.152	0.5
Loa Loa (eye worm)	steroid hormone receptor	0.0206	0.593	0.593
Loa Loa (eye worm)	hypothetical protein	0.0097	0.2332	0.2332
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0206	0.593	0.593
Trypanosoma brucei	Metacaspase-4	0.0027	0	0.5
Echinococcus multilocularis	nuclear receptor nhr 48	0.0097	0.2332	0.2332
Echinococcus multilocularis	FTZ F1 alpha	0.0206	0.593	0.593
Brugia malayi	tailless protein	0.0097	0.2332	0.2332
Brugia malayi	nuclear hormone receptor family member odr-7	0.0097	0.2332	0.2332
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0027	0	0.5
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0206	0.593	0.593
Brugia malayi	nuclear receptor RXR	0.0097	0.2332	0.2332
Schistosoma mansoni	lamin	0.0033	0.0196	0.0196
Loa Loa (eye worm)	hypothetical protein	0.0097	0.2332	0.2332
Brugia malayi	nuclear hormone receptor	0.0206	0.593	0.593
Loa Loa (eye worm)	hypothetical protein	0.0097	0.2332	0.2332
Trichomonas vaginalis	conserved hypothetical protein	0.0027	0	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0206	0.593	0.593
Loa Loa (eye worm)	hypothetical protein	0.0109	0.2717	0.2717
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0206	0.593	0.593
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0206	0.593	0.593
Loa Loa (eye worm)	MH2 domain-containing protein	0.0238	0.6996	0.6996
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0206	0.593	0.593
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0027	0	0.5
Brugia malayi	Intermediate filament tail domain containing protein	0.0033	0.0196	0.0196
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0206	0.593	0.593
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0206	0.593	0.593
Loa Loa (eye worm)	hypothetical protein	0.0097	0.2332	0.2332
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0109	0.2717	0.2717
Loa Loa (eye worm)	hypothetical protein	0.0206	0.593	0.593
Brugia malayi	Matrixin family protein	0.006	0.1091	0.1091
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0176	0.0176
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0206	0.593	0.593
Onchocerca volvulus		0.0097	0.2332	0.2332
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0206	0.593	0.593
Schistosoma mansoni	nuclear receptor	0.0097	0.2332	0.2332
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0109	0.2717	0.2717
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0206	0.593	0.593
Brugia malayi	Nuclear hormone receptor-like 1	0.0109	0.2717	0.2717
Schistosoma mansoni	nuclear hormone receptor	0.0097	0.2332	0.2332
Onchocerca volvulus	Matrilysin homolog	0.0132	0.3492	0.3492
Trypanosoma brucei	metacaspase 5, putative	0.0027	0	0.5
Schistosoma mansoni	coup transcription factor	0.0206	0.593	0.593
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0206	0.593	0.593
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0097	0.2332	0.2332
Trypanosoma cruzi	metacaspase, putative	0.0027	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0109	0.2717	0.2717
Onchocerca volvulus	Deterin homolog	0.0329	1	1
Trypanosoma cruzi	metacaspase, putative	0.0027	0	0.5
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0027	0	0.5
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0097	0.2332	0.2332
Loa Loa (eye worm)	hypothetical protein	0.0097	0.2332	0.2332
Schistosoma mansoni	intermediate filament proteins	0.0033	0.0196	0.0196
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0097	0.2332	0.2332
Echinococcus multilocularis	lamin	0.0033	0.0196	0.0196
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0206	0.593	0.593
Onchocerca volvulus		0.0097	0.2332	0.2332
Schistosoma mansoni	nuclear hormone receptor	0.0206	0.593	0.593
Schistosoma mansoni	lamin	0.0033	0.0196	0.0196
Loa Loa (eye worm)	hypothetical protein	0.0206	0.593	0.593
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0027	0	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0206	0.593	0.593
Onchocerca volvulus	Matrix metalloproteinase homolog	0.0132	0.3492	0.3492
Echinococcus granulosus	baculoviral IAP repeat containing protein	0.0329	1	1
Toxoplasma gondii	ICE family protease (caspase) p20 domain-containing protein	0.0027	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.006	0.1091	0.1091
Trichomonas vaginalis	conserved hypothetical protein	0.0027	0	0.5
Loa Loa (eye worm)	matrix metalloproteinase	0.006	0.1091	0.1091
Echinococcus granulosus	lamin	0.0033	0.0196	0.0196
Schistosoma mansoni	matrix metallopeptidase-9 (M10 family)	0.004	0.0457	0.0457
Echinococcus granulosus	nuclear receptor nhr 48	0.0097	0.2332	0.2332
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0027	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.006	0.1091	0.1091
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0027	0	0.5
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0097	0.2332	0.2332
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0206	0.593	0.593
Loa Loa (eye worm)	nuclear hormone receptor	0.0097	0.2332	0.2332
Schistosoma mansoni	nuclear receptor	0.0097	0.2332	0.2332
Brugia malayi	Steroid receptor seven-up type 2	0.0206	0.593	0.593
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0206	0.593	0.593
Brugia malayi	orphan nuclear receptor NR2E1	0.0097	0.2332	0.2332
Trypanosoma cruzi	metacaspase 5, putative	0.0027	0	0.5
Echinococcus multilocularis	musashi	0.0033	0.0196	0.0196
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0206	0.593	0.593
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0097	0.2332	0.2332
Mycobacterium ulcerans	hydrolase	0.0073	0.152	0.5
Plasmodium vivax	hypothetical protein, conserved	0.0027	0	0.5
Brugia malayi	conserved hypotetical protein	0.0097	0.2332	0.2332
Brugia malayi	hypothetical protein	0.0109	0.2717	0.2717
Echinococcus granulosus	inhibitor of apoptosis protein	0.0329	1	1
Loa Loa (eye worm)	hypothetical protein	0.0329	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0206	0.593	0.593
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0206	0.593	0.593
Trypanosoma cruzi	metacaspase, putative	0.0027	0	0.5
Schistosoma mansoni	retinoic acid receptor RXR	0.0206	0.593	0.593
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0206	0.593	0.593
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0027	0	0.5
Schistosoma mansoni	thyroid hormone receptor	0.0206	0.593	0.593
Brugia malayi	nuclear receptor NHR-67	0.0097	0.2332	0.2332
Loa Loa (eye worm)	hypothetical protein	0.0097	0.2332	0.2332
Brugia malayi	nuclear receptor NHR-88	0.0097	0.2332	0.2332
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0097	0.2332	0.2332
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0206	0.593	0.593
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0109	0.2717	0.2717
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0097	0.2332	0.2332
Trypanosoma cruzi	metacaspase, putative	0.0027	0	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	3.1623 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)	5.6234 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (functional)	10.4179 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)	= 11.2202 um	PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	89.1251 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: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference
Potency (functional)	100 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference
Potency (functional)	100 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23
Homo sapiens	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: CHEMBL1330159

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1241967