TDR Targets

Basic information

Technical information

TDR Targets ID: 1327666
Name: methyl 5-[(3aS,6R,6aS)-6a-hydroxy-2-oxo-3,3a, 4,6-tetrahydro-1H-thieno[3,4-d]imidazol-6-yl] pentanoate
MW: 274.337 | Formula: C11H18N2O4S
H donors: 3 H acceptors: 3 LogP: -0.11 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)CCCC[C@H]1SC[C@@H]2[C@@]1(O)NC(=O)N2
InChi: 1S/C11H18N2O4S/c1-17-9(14)5-3-2-4-8-11(16)7(6-18-8)12-10(15)13-11/h7-8,16H,2-6H2,1H3,(H2,12,13,15)/t7-,8-,11+/m1/s1
InChiKey: IPJBYSCSCXDDEE-XLDPMVHQSA-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

5-[(3aS,6R,6aS)-6a-hydroxy-2-oxo-3,3a,4,6-tetrahydro-1H-thieno[3,4-d]imidazol-6-yl]pentanoic acid methyl ester
5-[(3aS,6R,6aS)-6a-hydroxy-2-keto-3,3a,4,6-tetrahydro-1H-thieno[3,4-d]imidazol-6-yl]valeric acid methyl ester
ZINC04270574
MLS000085614
SMR000020549

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	euchromatic histone-lysine N-methyltransferase 2	Starlite/ChEMBL	No references
Homo sapiens	nuclear receptor subfamily 2, group E, member 3	Starlite/ChEMBL	No references
Homo sapiens	bromodomain adjacent to zinc finger domain, 2B	Starlite/ChEMBL	No references
Homo sapiens	tyrosyl-DNA phosphodiesterase 1	Starlite/ChEMBL	No references
Homo sapiens	muscleblind-like splicing regulator 1	Starlite/ChEMBL	No references
Escherichia coli	penicillin-binding protein	Starlite/ChEMBL	No references
Homo sapiens	nuclear receptor corepressor 2	Starlite/ChEMBL	No references
Homo sapiens	peroxisome proliferator-activated receptor gamma		No references
Homo sapiens	l(3)mbt-like 1 (Drosophila)	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	muscleblind protein	Get druggable targets OG5_132352	All targets in OG5_132352
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	Get druggable targets OG5_129037	All targets in OG5_129037
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus multilocularis	transcription factor Dp 1	Get druggable targets OG5_129037	All targets in OG5_129037
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	Get druggable targets OG5_129037	All targets in OG5_129037
Echinococcus multilocularis	nuclear receptor co repressor related (ncor)	Get druggable targets OG5_131772	All targets in OG5_131772
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Leishmania donovani	tyrosyl-DNA phosphodiesterase-like protein	Get druggable targets OG5_129037	All targets in OG5_129037
Leishmania major	tyrosyl-DNA phosphodiesterase 1	Get druggable targets OG5_129037	All targets in OG5_129037
Schistosoma japonicum	Lethal(3)malignant brain tumor-like 4 protein, putative	Get druggable targets OG5_130415	All targets in OG5_130415
Cryptosporidium parvum	tyrosyl-DNA phodphodiesterase 1 (tdp1)	Get druggable targets OG5_129037	All targets in OG5_129037
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	Get druggable targets OG5_129037	All targets in OG5_129037
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	Get druggable targets OG5_131470	All targets in OG5_131470
Echinococcus granulosus	nuclear receptor co repressor related ncor	Get druggable targets OG5_131772	All targets in OG5_131772
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	expressed protein	Get druggable targets OG5_131570	All targets in OG5_131570
Brugia malayi	Pre-SET motif family protein	Get druggable targets OG5_131470	All targets in OG5_131470
Echinococcus multilocularis	muscleblind protein 1	Get druggable targets OG5_132352	All targets in OG5_132352
Schistosoma japonicum	ko:K01549 ATP synthase [EC3.6.3.14], putative	Get druggable targets OG5_131570	All targets in OG5_131570
Brugia malayi	Bromodomain containing protein	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	Get druggable targets OG5_131570	All targets in OG5_131570
Trichomonas vaginalis	set domain proteins, putative	Get druggable targets OG5_131470	All targets in OG5_131470
Cryptosporidium hominis	hypothetical protein	Get druggable targets OG5_129037	All targets in OG5_129037
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	Get druggable targets OG5_129037	All targets in OG5_129037
Trypanosoma brucei gambiense	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	Get druggable targets OG5_129037	All targets in OG5_129037
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	Get druggable targets OG5_129037	All targets in OG5_129037
Schistosoma japonicum	Cleft lip and palate transmembrane protein 1-like protein, putative	Get druggable targets OG5_131570	All targets in OG5_131570
Leishmania braziliensis	tyrosyl-DNA phosphodiesterase, putative;with=GeneDB:LinJ33_V3.3210	Get druggable targets OG5_129037	All targets in OG5_129037
Schistosoma mansoni	bromodomain containing protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	Conserved hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus granulosus	transcription factor Dp 1	Get druggable targets OG5_129037	All targets in OG5_129037
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	Get druggable targets OG5_129037	All targets in OG5_129037
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	Get druggable targets OG5_129037	All targets in OG5_129037
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	Get druggable targets OG5_129037	All targets in OG5_129037
Echinococcus multilocularis	endonuclease exonuclease phosphatase	Get druggable targets OG5_130415	All targets in OG5_130415
Brugia malayi	photoreceptor-specific nuclear receptor	Get druggable targets OG5_135311	All targets in OG5_135311
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	Get druggable targets OG5_129037	All targets in OG5_129037
Onchocerca volvulus		Get druggable targets OG5_131470	All targets in OG5_131470
Schistosoma japonicum	ko:K01113 phosphodiesterase/alkaline phosphatase D [EC3.1.4.1], putative	Get druggable targets OG5_129037	All targets in OG5_129037
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_135311	All targets in OG5_135311
Echinococcus granulosus	endonuclease exonuclease phosphatase	Get druggable targets OG5_130415	All targets in OG5_130415
Mycobacterium tuberculosis	Possible penicillin-binding protein	Get druggable targets OG5_149948	All targets in OG5_149948
Brugia malayi	Muscleblind-like protein	Get druggable targets OG5_132352	All targets in OG5_132352
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	Lethal(3)malignant brain tumor-like 3 protein, putative	Get druggable targets OG5_130415	All targets in OG5_130415
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132352	All targets in OG5_132352
Leishmania mexicana	tyrosyl-DNA phosphodiesterase-like protein	Get druggable targets OG5_129037	All targets in OG5_129037
Echinococcus multilocularis	muscleblind protein	Get druggable targets OG5_132352	All targets in OG5_132352
Leishmania infantum	tyrosyl-DNA phosphodiesterase 1	Get druggable targets OG5_129037	All targets in OG5_129037
Trypanosoma congolense	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	Get druggable targets OG5_129037	All targets in OG5_129037
Schistosoma mansoni	hypothetical protein	Get druggable targets OG5_130415	All targets in OG5_130415
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132352	All targets in OG5_132352

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus granulosus	ecdysone induced protein 78C	peroxisome proliferator-activated receptor gamma	477 aa	447 aa	28.2 %
Brugia malayi	Nuclear hormone receptor family member nhr-49	nuclear receptor subfamily 2, group E, member 3	410 aa	384 aa	28.1 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0045	0.0867	0.0797
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0021	0.0162	0.0024
Brugia malayi	mbt repeat family protein	0.0058	0.1247	0.1435
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.008	0.1908	0.1894
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0021	0.0162	0.0024
Mycobacterium tuberculosis	Probable hydrolase	0.0043	0.0824	0.0848
Onchocerca volvulus		0.0043	0.0824	0.0836
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0021	0.0162	0.0024
Loa Loa (eye worm)	hypothetical protein	0.0306	0.8691	1
Trypanosoma brucei	DNA polymerase eta, putative	0.0022	0.0175	0.0538
Loa Loa (eye worm)	hypothetical protein	0.0092	0.2266	0.2607
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0824	0.4083
Echinococcus granulosus	histone acetyltransferase MYST2	0.0066	0.1485	0.1441
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0162	0.0187
Schistosoma mansoni	coup transcription factor	0.0021	0.0162	0.0087
Brugia malayi	PHD-finger family protein	0.003	0.0423	0.0487
Echinococcus granulosus	jumonji domain containing protein	0.0049	0.0989	0.091
Brugia malayi	Pre-SET motif family protein	0.0036	0.0602	0.0693
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0021	0.0162	0.0087
Loa Loa (eye worm)	hypothetical protein	0.003	0.0413	0.0475
Brugia malayi	nuclear receptor NHR-88	0.0021	0.0162	0.0187
Echinococcus multilocularis	musashi	0.003	0.0413	0.0293
Onchocerca volvulus		0.0058	0.1247	0.1369
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.008	0.1908	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0021	0.0162	0.0087
Brugia malayi	Bromodomain containing protein	0.0038	0.0662	0.0762
Trypanosoma cruzi	DNA polymerase eta, putative	0.0022	0.0175	0.0538
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.008	0.1908	1
Mycobacterium tuberculosis	Probable esterase LipL	0.0043	0.0824	0.0848
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0021	0.0162	0.0187
Echinococcus granulosus	lysine specific demethylase 5A	0.0045	0.0867	0.0779
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0824	0.0948
Plasmodium falciparum	phd finger protein, putative	0.0035	0.0577	1
Schistosoma mansoni	retinoic acid receptor RXR	0.0021	0.0162	0.0087
Trypanosoma brucei	DNA polymerase IV, putative	0.0022	0.0175	0.0538
Loa Loa (eye worm)	MBCTL1	0.0066	0.1485	0.1709
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0162	0.0187
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0278	0.7834	1
Echinococcus multilocularis	muscleblind protein	0.018	0.492	0.512
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0022	0.0175	0.0538
Loa Loa (eye worm)	bromodomain containing protein	0.0021	0.0162	0.0186
Brugia malayi	PHD-finger family protein	0.0035	0.0577	0.0664
Plasmodium vivax	SET domain protein, putative	0.0036	0.0602	0.5801
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0066	0.1485	0.1709
Echinococcus granulosus	ecdysone induced protein 78C	0.0021	0.0162	0.0024
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0036	0.0602	0.0495
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0043	0.0824	0.0848
Echinococcus multilocularis	geminin	0.0187	0.5114	0.5326
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0027	0.0338	0.0212
Echinococcus multilocularis	lysine specific demethylase 5A	0.0043	0.0798	0.0705
Schistosoma mansoni	lamin	0.003	0.0413	0.034
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0175	0.0538
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0021	0.0162	0.0187
Onchocerca volvulus		0.0043	0.0824	0.0836
Loa Loa (eye worm)	intermediate filament protein	0.003	0.0413	0.0475
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0162	0.0187
Echinococcus granulosus	L aminoadipate semialdehyde	0.0092	0.2266	0.2277
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0066	0.1485	0.1441
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0022	0.0175	0.0538
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0175	0.0538
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0072	0.168	0.165
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0824	0.0821
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0021	0.0162	0.0024
Echinococcus multilocularis	FTZ F1 alpha	0.0021	0.0162	0.0024
Brugia malayi	jmjC domain containing protein	0.0045	0.0867	0.0998
Giardia lamblia	PHD finger protein 15	0.0035	0.0577	1
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0022	0.0175	0.0538
Brugia malayi	mbt repeat family protein	0.0058	0.1247	0.1435
Brugia malayi	Pre-SET motif family protein	0.0251	0.7043	0.8103
Loa Loa (eye worm)	hypothetical protein	0.0057	0.1218	0.1401
Echinococcus granulosus	fetal alzheimer antigen falz	0.0027	0.0338	0.0212
Schistosoma mansoni	thyroid hormone receptor	0.0021	0.0162	0.0087
Brugia malayi	ImpB/MucB/SamB family protein	0.0022	0.0175	0.0201
Echinococcus multilocularis	L aminoadipate semialdehyde	0.0092	0.2266	0.2277
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0021	0.0162	0.0087
Entamoeba histolytica	hypothetical protein	0.0026	0.0295	0.0693
Brugia malayi	Intermediate filament tail domain containing protein	0.003	0.0413	0.0475
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0043	0.0824	1
Echinococcus granulosus	lamin	0.003	0.0413	0.0293
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.008	0.1908	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0021	0.0162	0.0087
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0824	0.0821
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0021	0.0162	0.0187
Onchocerca volvulus		0.003	0.0413	0.0317
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0824	0.0848
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0057	0.1218	0.1151
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0058	0.1247	0.1369
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0162	0.0187
Schistosoma mansoni	jumonji domain containing protein	0.0092	0.2264	0.2205
Mycobacterium leprae	Probable lipase LipE	0.0043	0.0824	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0824	0.0821
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0824	0.0948
Schistosoma mansoni	hypothetical protein	0.0025	0.0269	0.0194
Echinococcus granulosus	muscleblind protein	0.018	0.492	0.512
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0021	0.0162	0.0187
Echinococcus multilocularis	dna polymerase eta	0.0022	0.0175	0.0038
Schistosoma mansoni	nuclear hormone receptor	0.0021	0.0162	0.0087
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0021	0.0162	0.0187
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0162	0.0187
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0824	0.0848
Wolbachia endosymbiont of Brugia malayi	4'-phosphopantetheinyl transferase	0.0026	0.0295	0.5
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0824	0.0948
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0021	0.0162	0.0024
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0021	0.0162	0.0187
Echinococcus granulosus	peregrin	0.0038	0.0662	0.056
Echinococcus multilocularis	nuclear receptor co repressor related (ncor)	0.0333	0.9478	1
Mycobacterium ulcerans	esterase/lipase LipP	0.0043	0.0824	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0175	0.0538
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0021	0.0162	0.0087
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0021	0.0162	0.0024
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0021	0.0162	0.0024
Loa Loa (eye worm)	hypothetical protein	0.018	0.492	0.5661
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0035	0.0577	0.0504
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0175	0.0538
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0115	0.2973	0.3034
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0227	0.6315	0.6613
Onchocerca volvulus		0.0092	0.2266	0.2657
Loa Loa (eye worm)	hypothetical protein	0.0052	0.1064	0.1224
Loa Loa (eye worm)	PHD-finger family protein	0.0025	0.0269	0.0309
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0035	0.0562	0.0453
Chlamydia trachomatis	holo [acyl-carrier protein] synthase	0.0026	0.0295	0.5
Echinococcus granulosus	geminin	0.0187	0.5114	0.5326
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0175	0.0538
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0066	0.1485	0.1441
Echinococcus multilocularis	peregrin	0.0038	0.0662	0.056
Trypanosoma brucei	hypothetical protein, conserved	0.0026	0.0295	0.1194
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0057	0.1218	0.1155
Brugia malayi	ImpB/MucB/SamB family protein	0.0022	0.0175	0.0201
Trichomonas vaginalis	set domain proteins, putative	0.0286	0.8082	1
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0043	0.0822	0.073
Mycobacterium tuberculosis	Probable lipase LipD	0.0043	0.0824	0.0848
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0043	0.0824	0.0733
Brugia malayi	ecdysteroid receptor	0.0021	0.0162	0.0187
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0021	0.0162	0.0024
Loa Loa (eye worm)	PHD-finger family protein	0.0035	0.0577	0.0664
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0577	0.5325
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0021	0.0162	0.0024
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0175	0.0538
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0043	0.0824	0.0948
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0043	0.0824	0.0948
Loa Loa (eye worm)	hypothetical protein	0.0085	0.2079	0.2392
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.008	0.1908	0.2196
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0021	0.0162	0.0187
Echinococcus multilocularis	transcription factor Dp 1	0.0046	0.0904	0.0819
Brugia malayi	Bromodomain containing protein	0.0046	0.0907	0.1044
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0021	0.0162	0.0187
Echinococcus granulosus	transcription factor Dp 1	0.0046	0.0904	0.0819
Schistosoma mansoni	sex comb on midleg homolog	0.0058	0.1247	0.118
Brugia malayi	beta-lactamase	0.0043	0.0824	0.0948
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0021	0.0162	0.0187
Trypanosoma brucei	hypothetical protein, conserved	0.0043	0.0824	0.4083
Plasmodium vivax	hypothetical protein, conserved	0.0043	0.0824	1
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.0092	0.2266	0.2607
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0021	0.0162	0.0187
Mycobacterium ulcerans	4'-phosphopantetheinyl transferase	0.0026	0.0295	0.185
Echinococcus multilocularis	lamin	0.003	0.0413	0.0293
Echinococcus granulosus	intermediate filament protein	0.003	0.0413	0.0293
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0021	0.0162	0.0187
Echinococcus multilocularis	lamin dm0	0.003	0.0413	0.0293
Echinococcus granulosus	beta LACTamase domain containing family member	0.0043	0.0824	0.0733
Brugia malayi	photoreceptor-specific nuclear receptor	0.0306	0.8691	1
Brugia malayi	beta-lactamase family protein	0.0043	0.0824	0.0948
Schistosoma mansoni	lamin	0.003	0.0413	0.034
Onchocerca volvulus		0.003	0.0413	0.0317
Loa Loa (eye worm)	mbt repeat family protein	0.0058	0.1247	0.1435
Echinococcus granulosus	lamin dm0	0.003	0.0413	0.0293
Schistosoma mansoni	bromodomain containing protein	0.0076	0.181	0.1747
Loa Loa (eye worm)	hypothetical protein	0.0058	0.1247	0.1435
Trypanosoma brucei	unspecified product	0.0022	0.0175	0.0538
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0995	0.1145
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0824	0.0848
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0022	0.0175	0.0099
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0021	0.0162	0.0024
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0021	0.0162	0.0187
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0021	0.0162	0.0024
Loa Loa (eye worm)	jmjC domain-containing protein	0.0073	0.1698	0.1954
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0227	0.6315	0.6613
Toxoplasma gondii	PHD-finger domain-containing protein	0.0035	0.0577	0.5325
Toxoplasma gondii	PHD-finger domain-containing protein	0.0035	0.0577	0.5325
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0251	0.7043	0.8103
Onchocerca volvulus		0.0043	0.0824	0.0836
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0022	0.0175	0.0538
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0162	0.0187
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0027	0.0338	0.0264
Mycobacterium tuberculosis	holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie	0.0026	0.0295	0.0157
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0021	0.0162	0.0187
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0036	0.0602	0.053
Loa Loa (eye worm)	beta-lactamase	0.0043	0.0824	0.0948
Leishmania major	DNA polymerase kappa, putative	0.0022	0.0175	0.0538
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0824	0.0754
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0022	0.0175	0.0538
Trichomonas vaginalis	esterase, putative	0.0043	0.0824	0.0821
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0043	0.0824	0.0848
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0021	0.014	0.0064
Mycobacterium ulcerans	beta-lactamase	0.0043	0.0824	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0045	0.0867	0.0998
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0021	0.0162	0.0187
Echinococcus multilocularis	jumonji domain containing protein	0.0049	0.0989	0.091
Echinococcus multilocularis	ecdysone induced protein 78C	0.0021	0.0162	0.0024
Toxoplasma gondii	ABC1 family protein	0.0043	0.0824	1
Schistosoma mansoni	intermediate filament proteins	0.003	0.0413	0.034
Echinococcus granulosus	SAM and MBT domain containing protein	0.0058	0.1247	0.1186
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0066	0.1485	0.142
Echinococcus granulosus	nuclear receptor co repressor related ncor	0.0333	0.9478	1
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0022	0.0175	0.0038
Schistosoma mansoni	sex comb on midleg homolog	0.0058	0.1247	0.118
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0175	0.0538
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0043	0.0822	0.073
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0602	0.053
Leishmania major	DNA polymerase eta, putative	0.0022	0.0175	0.0538
Leishmania major	phosphopantetheinyl transferase-like protein	0.0026	0.0295	0.1194
Echinococcus multilocularis	polycomb protein SCMH1	0.0058	0.1247	0.1186
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0072	0.168	0.165
Loa Loa (eye worm)	hypothetical protein	0.018	0.492	0.5661
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0021	0.0162	0.0024
Loa Loa (eye worm)	hypothetical protein	0.0046	0.091	0.1047
Brugia malayi	jmjC domain containing protein	0.0115	0.2973	0.3421
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0022	0.0175	0.0038
Echinococcus granulosus	dna polymerase eta	0.0022	0.0175	0.0038
Schistosoma mansoni	thyroid hormone receptor	0.0021	0.0162	0.0087
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0021	0.0162	0.0187
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0577	0.0664
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0175	0.0538
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0824	0.0948
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0162	0.0187
Mycobacterium leprae	conserved hypothetical protein	0.0043	0.0824	1
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0115	0.2973	0.3034
Brugia malayi	beta-lactamase family protein	0.0043	0.0824	0.0948
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0175	0.0201
Schistosoma mansoni	hypothetical protein	0.0187	0.5114	0.5076
Echinococcus granulosus	histone lysine methyltransferase setb	0.0057	0.1218	0.1155
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.008	0.1908	0.1894
Brugia malayi	steroid hormone receptor	0.0021	0.0162	0.0187
Loa Loa (eye worm)	steroid hormone receptor	0.0021	0.0162	0.0187
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0824	0.0754
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0057	0.1218	0.1151
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0021	0.0162	0.0187
Trypanosoma brucei	DNA polymerase IV, putative	0.0022	0.0175	0.0538
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0824	0.0821
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0021	0.0162	0.0187
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0022	0.0175	0.0201
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0036	0.0602	0.5801
Mycobacterium ulcerans	lipase LipD	0.0043	0.0824	1
Echinococcus granulosus	zinc finger protein	0.0024	0.0231	0.0098
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0043	0.0824	0.0848
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0021	0.0162	0.0024
Mycobacterium tuberculosis	Probable lipase LipE	0.0043	0.0824	0.0848
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0058	0.1247	0.118
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0175	0.0538
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0397	0.0457
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.008	0.1908	1
Onchocerca volvulus	Alhambra homolog	0.0035	0.0577	0.0523
Echinococcus granulosus	dna polymerase kappa	0.0022	0.0175	0.0038
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0021	0.0162	0.0187
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0824	0.0821
Schistosoma mansoni	DNA polymerase eta	0.0022	0.0175	0.0099
Loa Loa (eye worm)	hypothetical protein	0.0066	0.1485	0.1709
Mycobacterium ulcerans	hypothetical protein	0.0043	0.0824	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0824	0.4083
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.008	0.1908	0.2196
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0022	0.0175	0.0099
Echinococcus multilocularis	zinc finger protein	0.0024	0.0231	0.0098
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.0092	0.2266	0.2207
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0824	0.0948
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0021	0.014	0.0064
Echinococcus granulosus	PHD finger protein rhinoceros	0.0035	0.0577	0.0468
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0066	0.1485	0.1441
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0175	0.0538
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0045	0.0867	0.0797
Schistosoma mansoni	RAR-like nuclear receptor	0.0021	0.0162	0.0087
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0021	0.0162	0.0087
Brugia malayi	Steroid receptor seven-up type 2	0.0021	0.0162	0.0187
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0021	0.0162	0.0087
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.003	0.0413	0.0475
Treponema pallidum	4'-phosphopantetheinyl transferase	0.0026	0.0295	0.5
Mycobacterium ulcerans	phosphopantetheinyl transferase, PptII	0.0026	0.0295	0.185
Brugia malayi	Bromodomain containing protein	0.0091	0.2233	0.2569
Trypanosoma brucei	DNA polymerase IV, putative	0.0022	0.0175	0.0538
Schistosoma mansoni	zinc finger protein	0.0024	0.0231	0.0156
Schistosoma mansoni	hypothetical protein	0.0035	0.0577	0.0504
Schistosoma mansoni	hypothetical protein	0.0187	0.5114	0.5076
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.008	0.1908	1
Onchocerca volvulus		0.0286	0.8082	1
Echinococcus multilocularis	muscleblind protein 1	0.018	0.492	0.512
Echinococcus multilocularis	dna polymerase kappa	0.0022	0.0175	0.0038
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0021	0.0162	0.0187
Echinococcus granulosus	FTZ F1 alpha	0.0021	0.0162	0.0024
Echinococcus granulosus	polycomb protein SCMH1	0.0058	0.1247	0.1186
Onchocerca volvulus		0.0036	0.0602	0.0555
Leishmania major	hypothetical protein, conserved	0.0043	0.0824	0.4083
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.008	0.1908	0.1846
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0021	0.0162	0.0187
Brugia malayi	intermediate filament protein	0.003	0.0413	0.0475
Brugia malayi	Muscleblind-like protein	0.018	0.492	0.5661
Brugia malayi	nuclear hormone receptor	0.0021	0.0162	0.0187
Loa Loa (eye worm)	hypothetical protein	0.006	0.1329	0.1529
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0824	0.0948
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0058	0.1247	0.1186
Brugia malayi	Nuclear hormone receptor-like 1	0.0021	0.0162	0.0187
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0021	0.0162	0.0024
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0035	0.0577	0.0468

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 0.38938 um	PUBCHEM_BIOASSAY: TR-FRET-based biochemical high throughput dose response assay for agonists of nuclear receptor subfamily 2, group E, member 3 (NR2E3). (Class of assay: confirmatory) [Related pubchem assays: 2379 (Screening (NR2E3 agonists, 3X)), 2325 (Summary), 2300 (Screening (NR2E3 agonists, 1X))]	ChEMBL.	No reference
IC50 (functional)	= 1.924 um	PUBCHEM_BIOASSAY: Counterscreen for agonists of nuclear receptor subfamily 2, group E, member 3 (NR2E3): TR-FRET-based biochemical high throughput dose response assay to identify agonists of the interaction between peroxisome proliferator-activated receptor gamma (PPARg) and nuclear receptor co-repressor 2 (NCOR2). (Class of assay: confirmatory) [Related pubchem assays: 2379 (Screening (NR2E3 agonists, 3X)), 2325 (Summary), 2300 (Screening (NR2E3 agonists, 1X))]	ChEMBL.	No reference
Potency (binding)	0.3162 uM	PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (binding)	= 0.3981 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	0.8913 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference
Potency (functional)	= 2.2387 um	PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)]	ChEMBL.	No reference
Potency (functional)	2.2387 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference
Potency (functional)	= 3.5481 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
Potency (binding)	= 28.1838 um	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 44.6684 um	PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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: CHEMBL1454198

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1327666