TDR Targets

Basic information

Technical information

TDR Targets ID: 1415230
Name: 2-methoxyethyl 5-(dimethylcarbamoyloxy)-2-met hyl-1-benzofuran-3-carboxylate
MW: 321.325 | Formula: C16H19NO6
H donors: 0 H acceptors: 2 LogP: 2.19 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: COCCOC(=O)c1c(C)oc2c1cc(cc2)OC(=O)N(C)C
InChi: 1S/C16H19NO6/c1-10-14(15(18)21-8-7-20-4)12-9-11(5-6-13(12)22-10)23-16(19)17(2)3/h5-6,9H,7-8H2,1-4H3
InChiKey: OUDGGVPSPDDAIX-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

2-methoxyethyl 5-(dimethylcarbamoyloxy)-2-methyl-benzofuran-3-carboxylate
5-(dimethylamino-oxomethoxy)-2-methyl-3-benzofurancarboxylic acid 2-methoxyethyl ester
5-(dimethylcarbamoyloxy)-2-methyl-benzofuran-3-carboxylic acid 2-methoxyethyl ester
MLS000042676
SMR000047979
ZINC02236672

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	lamin A/C	Starlite/ChEMBL	No references
Homo sapiens	TAR DNA binding protein	Starlite/ChEMBL	No references
Influenza A virus	Nonstructural protein 1	Starlite/ChEMBL	No references
Homo sapiens	ataxin 2	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)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus granulosus	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	lamin dm0	Get druggable targets OG5_128723	All targets in OG5_128723
Onchocerca volvulus		Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA recognition motif domain containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus multilocularis	musashi	Get druggable targets OG5_128723	All targets in OG5_128723
Brugia malayi	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus granulosus	lamin dm0	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	Intermediate filament protein ifa-1, putative	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
Schistosoma japonicum	expressed 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
Loa Loa (eye worm)	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
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus multilocularis	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	Intermediate filament tail domain containing protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	ko:K07611 lamin, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Onchocerca volvulus		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
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus multilocularis	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	intermediate filament proteins	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	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	lamin	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 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	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Mycobacterium tuberculosis	Hypothetical protein	Nonstructural protein 1	230 aa	202 aa	23.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	voltage-gated potassium channel	0.0041	0.0353	0.0511
Echinococcus multilocularis	peptidyl prolyl cis trans isomerase FKBP4	0.0212	0.2716	0.4091
Loa Loa (eye worm)	beta-lactamase	0.0078	0.0866	0.0866
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0017	0.0032	0.0032
Echinococcus multilocularis	nicalin	0.0037	0.0305	0.0448
Giardia lamblia	70 kDa peptidylprolyl isomerase, putative	0.0212	0.2716	1
Entamoeba histolytica	hypothetical protein	0.0037	0.0305	0.1071
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0015	0.0015
Trichomonas vaginalis	fk506-binding protein, putative	0.0029	0.0194	0.0661
Echinococcus granulosus	beta LACTamase domain containing family member	0.0078	0.0866	0.1296
Schistosoma mansoni	hypothetical protein	0.0101	0.1189	0.1775
Brugia malayi	hypothetical protein	0.0073	0.0795	0.0781
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0416	0.0616
Trichomonas vaginalis	conserved hypothetical protein	0.0029	0.0194	0.0661
Trichomonas vaginalis	esterase, putative	0.0078	0.0866	0.3149
Trypanosoma cruzi	PAB1-binding protein , putative	0.003	0.0212	0.0727
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, FKBP-type , putative	0.0029	0.0194	0.0661
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0033	0.0241	0.0241
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase, putative	0.0212	0.2716	1
Trichomonas vaginalis	peptidylprolyl isomerase, putative	0.0212	0.2716	1
Brugia malayi	RNA binding protein	0.0076	0.0848	0.0834
Mycobacterium ulcerans	lipase LipD	0.0078	0.0866	0.2665
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0848	0.1259
Leishmania major	peptidyl-prolyl cis-trans isomerase, putative	0.0029	0.0194	0.0661
Trichomonas vaginalis	immunophilin, putative	0.0212	0.2716	1
Schistosoma mansoni	intermediate filament proteins	0.0033	0.0241	0.0341
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0866	0.0866
Loa Loa (eye worm)	angiotensin-converting enzyme family protein	0.0739	1	1
Trichomonas vaginalis	fk506 binding protein, putative	0.0029	0.0194	0.0661
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-30, BmFKBP-30	0.0029	0.0194	0.0179
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase, putative	0.0029	0.0194	0.0661
Brugia malayi	Presenilin spe-4	0.0073	0.0795	0.0781
Brugia malayi	hypothetical protein	0.0073	0.0795	0.0781
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0035	0.0272	0.0951
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0078	0.0866	0.1296
Schistosoma mansoni	lamin	0.0033	0.0241	0.0341
Loa Loa (eye worm)	gamma-secretase subunit pen-2	0.0195	0.2482	0.2482
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0241	0.0241
Brugia malayi	hypothetical protein	0.0073	0.0795	0.0781
Mycobacterium leprae	conserved hypothetical protein	0.0078	0.0866	1
Schistosoma mansoni	hypothetical protein	0.0029	0.0194	0.027
Brugia malayi	gamma-secretase subunit aph-1	0.0495	0.6627	0.6622
Onchocerca volvulus		0.0033	0.0241	0.2653
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59	0.0212	0.2716	0.2705
Schistosoma mansoni	immunophilin FK506 binding protein FKBP12	0.0212	0.2716	0.4085
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, FKBP-type , putative	0.0212	0.2716	1
Loa Loa (eye worm)	intermediate filament protein	0.0033	0.0241	0.0241
Brugia malayi	beta-lactamase family protein	0.0078	0.0866	0.0852
Toxoplasma gondii	hypothetical protein	0.0059	0.0601	0.6885
Trypanosoma cruzi	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0212	0.2716	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0645	0.1789
Wolbachia endosymbiont of Brugia malayi	FKBP-type peptidylprolyl isomerase	0.0029	0.0194	0.5
Loa Loa (eye worm)	cysteine protease	0.0016	0.0015	0.0015
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0645	0.1789
Leishmania major	hypothetical protein, conserved	0.0059	0.0601	0.2168
Mycobacterium ulcerans	esterase/lipase LipP	0.0078	0.0866	0.2665
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0078	0.0866	0.104
Trypanosoma cruzi	hypothetical protein, conserved	0.0078	0.0866	0.3149
Loa Loa (eye worm)	RNA binding protein	0.0076	0.0848	0.0848
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0848	0.1259
Giardia lamblia	FKBP-type peptidyl-prolyl cis-trans isomerase	0.0212	0.2716	1
Trypanosoma brucei	hypothetical protein, conserved	0.0078	0.0866	0.2665
Echinococcus multilocularis	cysteine protease	0.0016	0.0015	0.0011
Trichomonas vaginalis	Nicastrin precursor, putative	0.0101	0.1189	0.4344
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0078	0.0866	0.2665
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0848	0.1259
Mycobacterium leprae	Probable lipase LipE	0.0078	0.0866	1
Toxoplasma gondii	peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein	0.0029	0.0194	0.2098
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0194	0.0194
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0078	0.0866	0.104
Treponema pallidum	peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB)	0.0212	0.2716	1
Echinococcus granulosus	tar DNA binding protein	0.0076	0.0848	0.1268
Plasmodium falciparum	peptidyl-prolyl cis-trans isomerase FKBP35	0.0212	0.2716	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0416	0.0616
Brugia malayi	RNA recognition motif domain containing protein	0.0076	0.0848	0.0834
Echinococcus multilocularis	gamma secretase subunit aph 1	0.0495	0.6627	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0416	0.0616
Echinococcus granulosus	Nicastrin	0.0101	0.1189	0.1783
Trypanosoma cruzi	Nicastrin, putative	0.0037	0.0305	0.1071
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0078	0.0866	0.0866
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0037	0.0306	0.045
Trypanosoma cruzi	Nicastrin, putative	0.0037	0.0305	0.1071
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0416	0.0402
Echinococcus multilocularis	musashi	0.0033	0.0241	0.0352
Trichomonas vaginalis	D-aminoacylase, putative	0.0078	0.0866	0.3149
Schistosoma mansoni	fk506 binding protein	0.0029	0.0194	0.027
Schistosoma mansoni	gamma-secretase subunit aph-1	0.0495	0.6627	1
Brugia malayi	hypothetical protein	0.003	0.0212	0.0197
Echinococcus multilocularis	Nicastrin	0.0101	0.1189	0.1783
Trichomonas vaginalis	Clan AD, family A22, presenilin-like aspartic peptidase	0.0208	0.2658	0.9786
Loa Loa (eye worm)	ctsf protein	0.0016	0.0015	0.0015
Mycobacterium tuberculosis	Probable lipase LipD	0.0078	0.0866	0.104
Leishmania major	hypothetical protein, conserved	0.0078	0.0866	0.3149
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0016	0.0015	0.0011
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0016	0.0015	0.0015
Trypanosoma cruzi	presenilin-like aspartic peptidase, putative	0.0208	0.2658	0.9786
Trichomonas vaginalis	fk506-binding protein, putative	0.0212	0.2716	1
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0848	0.1259
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0416	0.0606
Loa Loa (eye worm)	hypothetical protein	0.0101	0.1189	0.1189
Brugia malayi	hypothetical protein	0.002	0.0063	0.0047
Trypanosoma cruzi	major cysteine proteinase, putative	0.0049	0.0462	0.1655
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0078	0.0866	0.1286
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0645	0.1789
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0037	0.0306	0.0306
Trypanosoma cruzi	FKBP-type peptidylprolyl cis-trans isomerase, putative	0.0029	0.0194	0.0661
Echinococcus granulosus	lamin dm0	0.0033	0.0241	0.0352
Onchocerca volvulus		0.0078	0.0866	1
Mycobacterium ulcerans	hypothetical protein	0.0078	0.0866	0.2665
Trypanosoma cruzi	cysteine peptidase, putative	0.0062	0.0645	0.2331
Loa Loa (eye worm)	FKBP-type peptidyl-prolyl cis-trans isomerase-13	0.0029	0.0194	0.0194
Loa Loa (eye worm)	FKBP-type peptidyl-prolyl cis-trans isomerase-12	0.0212	0.2716	0.2716
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0866	0.0866
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0645	0.1789
Trypanosoma cruzi	presenilin-like aspartic peptidase, putative	0.0208	0.2658	0.9786
Chlamydia trachomatis	peptidyl-prolyl cis-trans isomerase	0.0029	0.0194	0.5
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0056	0.0571	0.2057
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0645	0.1789
Trichomonas vaginalis	Clan AD, family A22, presenilin-like aspartic peptidase	0.0208	0.2658	0.9786
Leishmania major	hypothetical protein, conserved	0.003	0.0212	0.0727
Echinococcus granulosus	gamma secretase subunit aph 1	0.0495	0.6627	1
Echinococcus multilocularis	fk506 binding protein	0.0212	0.2716	0.4091
Trypanosoma brucei	Aph-1 protein, putative	0.0193	0.2455	0.8964
Echinococcus granulosus	cathepsin l1	0.0016	0.0015	0.0011
Mycobacterium ulcerans	beta-lactamase	0.0078	0.0866	0.2665
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0416	0.0416
Plasmodium falciparum	ataxin-2 like protein, putative	0.003	0.0212	0.0727
Brugia malayi	Presenilin spe-4	0.0073	0.0795	0.0781
Schistosoma mansoni	immunophilin	0.0212	0.2716	0.4085
Mycobacterium tuberculosis	Conserved protein	0.0078	0.0866	0.104
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0037	0.0306	0.045
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase, putative	0.0029	0.0194	0.0661
Leishmania major	cathepsin L-like protease	0.0062	0.0645	0.2331
Toxoplasma gondii	LsmAD domain-containing protein	0.003	0.0212	0.2308
Entamoeba histolytica	presenilin 1 peptidase, putative	0.0208	0.2658	0.9786
Brugia malayi	beta-lactamase family protein	0.0078	0.0866	0.0852
Echinococcus multilocularis	cathepsin L cysteine protease	0.0016	0.0015	0.0011
Brugia malayi	gamma-secretase subunit pen-2	0.0195	0.2482	0.2471
Echinococcus multilocularis	FK506 binding protein 8, 38 kDa	0.0029	0.0194	0.028
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0016	0.0015	0.0011
Mycobacterium ulcerans	FK-506 binding protein, peptidyl-prolyl cis-trans isomerase	0.0212	0.2716	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0416	0.0606
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12	0.0212	0.2716	0.2705
Trichomonas vaginalis	penicillin-binding protein, putative	0.0078	0.0866	0.3149
Echinococcus granulosus	nicalin	0.0037	0.0305	0.0448
Plasmodium vivax	ataxin-2 like protein, putative	0.003	0.0212	0.0727
Echinococcus multilocularis	peptidyl prolyl cis trans isomerase FKBP4	0.0183	0.2314	0.3483
Leishmania major	cathepsin L-like protease	0.0062	0.0645	0.2331
Trypanosoma cruzi	FKBP-type peptidylprolyl cis-trans isomerase, putative	0.0029	0.0194	0.0661
Mycobacterium tuberculosis	Conserved protein	0.0078	0.0866	0.104
Plasmodium vivax	peptidyl-prolyl cis-trans isomerase, putative	0.0029	0.0194	0.0661
Mycobacterium tuberculosis	Probable esterase LipL	0.0078	0.0866	0.104
Toxoplasma gondii	ABC1 family protein	0.0078	0.0866	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0078	0.0866	0.1286
Schistosoma mansoni	immunophilin	0.0183	0.2314	0.3476
Loa Loa (eye worm)	hypothetical protein	0.003	0.0212	0.0212
Loa Loa (eye worm)	FKBP-type peptidyl-prolyl cis-trans isomerase-33	0.0029	0.0194	0.0194
Brugia malayi	Presenilin-like protein At2g29900	0.0073	0.0795	0.0781
Toxoplasma gondii	hypothetical protein	0.0073	0.0795	0.917
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0645	0.1789
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0866	0.0866
Echinococcus multilocularis	lamin	0.0033	0.0241	0.0352
Plasmodium falciparum	peptidyl-prolyl cis-trans isomerase, putative	0.0029	0.0194	0.0661
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0016	0.0015	0.0011
Brugia malayi	Presenilin family protein	0.0208	0.2658	0.2647
Trypanosoma brucei	Nicastrin, putative	0.0037	0.0305	0.044
Trypanosoma cruzi	cysteine peptidase, putative	0.0062	0.0645	0.2331
Wolbachia endosymbiont of Brugia malayi	FKBP-type peptidylprolyl isomerase	0.0029	0.0194	0.5
Loa Loa (eye worm)	FKBP5 protein	0.0212	0.2716	0.2716
Toxoplasma gondii	peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein	0.0029	0.0194	0.2098
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0076	0.0848	0.0848
Trypanosoma cruzi	hypothetical protein, conserved	0.0078	0.0866	0.3149
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0866	0.0866
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-33, BmFKBP-33	0.0029	0.0194	0.0179
Leishmania major	presenilin-like aspartic peptidase, putative,presenilin-like aspartic peptidase, clan AD, family A22A, putative	0.0208	0.2658	0.9786
Echinococcus granulosus	presenilin enhancer 2	0.0195	0.2482	0.3738
Echinococcus multilocularis		0.0029	0.0194	0.028
Plasmodium vivax	hypothetical protein, conserved	0.0078	0.0866	0.3149
Trichomonas vaginalis	fk506-binding protein, putative	0.0029	0.0194	0.0661
Leishmania major	cathepsin L-like protease	0.0062	0.0645	0.2331
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-13, BmFKBP-13	0.0029	0.0194	0.0179
Onchocerca volvulus		0.0078	0.0866	1
Trichomonas vaginalis	peptidylprolyl isomerase, putative	0.0212	0.2716	1
Schistosoma mansoni	lamin	0.0033	0.0241	0.0341
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, FKBP-type, putative	0.0212	0.2716	1
Echinococcus multilocularis	lamin dm0	0.0033	0.0241	0.0352
Onchocerca volvulus		0.0033	0.0241	0.2653
Loa Loa (eye worm)	fibroinase	0.0016	0.0015	0.0015
Echinococcus multilocularis	cathepsin L cysteine protease	0.0016	0.0015	0.0011
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0416	0.0606
Trichomonas vaginalis	conserved hypothetical protein	0.0029	0.0194	0.0661
Brugia malayi	TAR-binding protein	0.0076	0.0848	0.0834
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0645	0.1789
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0008	0.0008
Loa Loa (eye worm)	hypothetical protein	0.0183	0.2314	0.2314
Onchocerca volvulus		0.0029	0.0194	0.2098
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0233	0.0233
Trypanosoma brucei	Presenilin enhancer-2 subunit of gamma secretase, putative	0.0059	0.0601	0.1614
Schistosoma mansoni	immunophilin	0.0212	0.2716	0.4085
Brugia malayi	intermediate filament protein	0.0033	0.0241	0.0226
Echinococcus multilocularis	presenilin	0.0208	0.2658	0.4004
Loa Loa (eye worm)	gamma-secretase subunit aph-1	0.0495	0.6627	0.6627
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP1A	0.0212	0.2716	0.4091
Echinococcus multilocularis	Nicastrin	0.0101	0.1189	0.1783
Leishmania major	peptidyl-prolyl cis-trans isomerase, macrophage infectivity potentiator precursor, putative	0.0029	0.0194	0.0661
Trypanosoma cruzi	cysteine peptidase, putative	0.0062	0.0645	0.2331
Trypanosoma cruzi	Aph-1 protein, putative	0.0193	0.2455	0.9033
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0866	0.0866
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0416	0.0616
Leishmania major	peptidylprolyl isomerase-like protein	0.0212	0.2716	1
Trichomonas vaginalis	Clan AD, family A22, presenilin-like aspartic peptidase	0.0208	0.2658	0.9786
Echinococcus granulosus	presenilin	0.0208	0.2658	0.4004
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase, putative	0.0212	0.2716	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0016	0.0015	0.0015
Echinococcus multilocularis	cysteine protease	0.0016	0.0015	0.0011
Leishmania major	FKBP-type peptidyl-prolyl cis-trans isomerase, putative	0.0029	0.0194	0.0661
Trypanosoma cruzi	macrophage infectivity potentiator, precursor, putative	0.0029	0.0194	0.0661
Brugia malayi	hypothetical protein	0.0101	0.1189	0.1175
Echinococcus granulosus	FK506 binding protein 8 38 kDa	0.0029	0.0194	0.028
Trypanosoma brucei	presenilin-like aspartic peptidase, putative	0.0208	0.2658	0.9771
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0078	0.0866	0.104
Mycobacterium tuberculosis	Probable hydrolase	0.0078	0.0866	0.104
Echinococcus granulosus	lamin	0.0033	0.0241	0.0352
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0645	0.1789
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0037	0.0306	0.0291
Brugia malayi	Intermediate filament tail domain containing protein	0.0033	0.0241	0.0226
Trypanosoma cruzi	cruzipain precursor, putative	0.0062	0.0645	0.2331
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0645	0.1789
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP4	0.0212	0.2716	0.4091
Onchocerca volvulus		0.0078	0.0866	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0078	0.0866	0.3149
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, putative	0.0029	0.0194	0.0661
Mycobacterium tuberculosis	Probable lipase LipE	0.0078	0.0866	0.104
Onchocerca volvulus		0.0029	0.0194	0.2098
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0078	0.0866	0.0852
Loa Loa (eye worm)	presenilin spe-4	0.0073	0.0795	0.0795
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0866	0.0866
Trypanosoma cruzi	PAB1-binding protein , putative	0.003	0.0212	0.0727
Loa Loa (eye worm)	TAR-binding protein	0.0076	0.0848	0.0848
Schistosoma mansoni	voltage-gated potassium channel	0.0041	0.0353	0.0511
Trypanosoma cruzi	Aph-1 protein, putative	0.0193	0.2455	0.9033
Echinococcus multilocularis	presenilin enhancer 2	0.0195	0.2482	0.3738
Mycobacterium tuberculosis	Conserved protein	0.0078	0.0866	0.104
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0848	0.1259
Trichomonas vaginalis	D-aminoacylase, putative	0.0078	0.0866	0.3149
Plasmodium falciparum	ataxin-2 like protein, putative	0.003	0.0212	0.0727
Loa Loa (eye worm)	FKBP-type peptidyl-prolyl cis-trans isomerase-30	0.0029	0.0194	0.0194
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP4	0.0183	0.2314	0.3483
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0497	0.6658	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0078	0.0866	0.3149
Plasmodium vivax	70 kDa peptidylprolyl isomerase, putative	0.0212	0.2716	1
Toxoplasma gondii	peptidyl-prolyl isomerase FKBP12, putative	0.0029	0.0194	0.2098
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0645	0.1789
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0238	0.0238
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0035	0.0272	0.0951
Brugia malayi	hypothetical protein	0.0101	0.1189	0.1175
Schistosoma mansoni	subfamily A22A unassigned peptidase (A22 family)	0.0208	0.2658	0.3997
Trypanosoma brucei	PAB1-binding protein , putative	0.003	0.0212	0.0071
Echinococcus granulosus	FK506 binding protein 2	0.0029	0.0194	0.028
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0016	0.0015	0.0011
Brugia malayi	cytoplasmic intermediate filament protein	0.0017	0.0032	0.0017
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0645	0.1789
Trypanosoma brucei	peptidyl-prolyl cis-trans isomerase, putative	0.0212	0.2716	1
Toxoplasma gondii	peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein	0.0029	0.0194	0.2098
Trichomonas vaginalis	Nicastrin precursor, putative	0.0101	0.1189	0.4344
Trypanosoma brucei	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0212	0.2716	1
Brugia malayi	Presenilin spe-4	0.0073	0.0795	0.0781
Leishmania major	fk506-binding protein 1-like protein	0.0212	0.2716	1
Echinococcus granulosus	intermediate filament protein	0.0033	0.0241	0.0352
Brugia malayi	beta-lactamase	0.0078	0.0866	0.0852
Echinococcus multilocularis	tar DNA binding protein	0.0076	0.0848	0.1268
Trypanosoma cruzi	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0212	0.2716	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 0.1413 um	PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	0.2512 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	0.7079 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)	= 11.2202 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	19.9526 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	26.8545 uM	PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411]	ChEMBL.	No reference
Potency (functional)	= 44.6684 um	PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
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: CHEMBL1546650

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1415230