TDR Targets

Basic information

Technical information

TDR Targets ID: 147241
Name: (3S,6R,7S)-3-N-[2-(3,3-dimethylpiperidin-1-yl )-2-oxoethyl]-7-N-hydroxy-6-(2-methylpropyl)- 5-oxo-11-oxa-4-azabicyclo[10.2.2]hexadeca-1(1 5),12(16),13-triene-3,7-dicarboxamide
MW: 544.683 | Formula: C29H44N4O6
H donors: 4 H acceptors: 5 LogP: 2.99 Rotable bonds: 9
Rule of 5 violations (Lipinski): 2
SMILES: ONC(=O)[C@H]1CCCOc2ccc(C[C@H](NC(=O)[C@@H]1CC(C)C)C(=O)NCC(=O)N1CCCC(C1)(C)C)cc2
InChi: 1S/C29H44N4O6/c1-19(2)15-23-22(27(36)32-38)7-5-14-39-21-10-8-20(9-11-21)16-24(31-26(23)35)28(37)30-17-25(34)33-13-6-12-29(3,4)18-33/h8-11,19,22-24,38H,5-7,12-18H2,1-4H3,(H,30,37)(H,31,35)(H,32,36)/t22-,23+,24-/m0/s1
InChiKey: CLTUQMSYJMRYDK-VXNXHJTFSA-N

Network

Hover on a compound node to display the structore

Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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

Clustering layers

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

Synonyms

(3S,6R,7S)-N-[2-(3,3-dimethyl-1-piperidyl)-2-oxo-ethyl]-7-(hydroxycarbamoyl)-6-isobutyl-5-oxo-11-oxa-4-azabicyclo[10.2.2]hexadeca-1(15),12(16),13-triene-3-carboxamide
(3S,6R,7S)-N-[2-(3,3-dimethyl-1-piperidinyl)-2-oxoethyl]-7-[(hydroxyamino)-oxomethyl]-6-isobutyl-5-oxo-11-oxa-4-azabicyclo[10.2.2]hexadeca-1(15),12(16),13-triene-3-carboxamide
(3S,6R,7S)-N3-[2-(3,3-dimethylpiperidin-1-yl)-2-oxo-ethyl]-N7-hydroxy-6-(2-methylpropyl)-5-oxo-11-oxa-4-azabicyclo[10.2.2]hexadeca-1(15),12(16),13-triene-3,7-dicarboxamide
(3S,6R,7S)-N-[2-(3,3-dimethylpiperidino)-2-keto-ethyl]-7-(hydroxycarbamoyl)-6-isobutyl-5-keto-11-oxa-4-azabicyclo[10.2.2]hexadeca-1(15),12(16),13-triene-3-carboxamide
(3S,6R,7S)-N-[2-(3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-N'-hydroxy-6-(2-methylpropyl)-5-oxo-11-oxa-4-azabicyclo[10.2.2]hexadeca-1(15),12(16),13-triene-3,7-dicarboxamide
(3S,6R,7S)-N-[2-(3,3-dimethyl-1-piperidyl)-2-keto-ethyl]-7-(hydroxycarbamoyl)-6-isobutyl-5-keto-11-oxa-4-azabicyclo[10.2.2]hexadeca-1(15),12(16),13-triene-3-carboxamide
(3S,6R,7S)-N-[2-(3,3-dimethylpiperidin-1-yl)-2-oxo-ethyl]-N'-hydroxy-6-(2-methylpropyl)-5-oxo-11-oxa-4-azabicyclo[10.2.2]hexadeca-1(15),12(16),13-triene-3,7-dicarboxamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	ADAM metallopeptidase domain 17	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	ADAM17 peptidase (M12 family)	Get druggable targets OG5_132656	All targets in OG5_132656
Echinococcus multilocularis	adam 17 protease	Get druggable targets OG5_132656	All targets in OG5_132656
Echinococcus granulosus	adam 17 protease	Get druggable targets OG5_132656	All targets in OG5_132656
Echinococcus multilocularis	Blood coagulation inhibitor, Disintegrin	Get druggable targets OG5_132656	All targets in OG5_132656
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132656	All targets in OG5_132656
Echinococcus granulosus	Blood coagulation inhibitor Disintegrin	Get druggable targets OG5_132656	All targets in OG5_132656
Schistosoma japonicum	ko:K06059 a disintegrin and metalloproteinase domain 17, putative	Get druggable targets OG5_132656	All targets in OG5_132656

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	Disintegrin family protein	ADAM metallopeptidase domain 17	824 aa	724 aa	27.4 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	adam 17 protease	0.0223	0.4575	0.9478
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0018	0.0056	0.0116
Brugia malayi	N-terminal motif family protein	0.018	0.3616	0.7492
Schistosoma mansoni	ADAM17 peptidase (M12 family)	0.0223	0.4575	0.9478
Echinococcus granulosus	adam	0.0039	0.0505	0.0996
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0234	0.4826	1
Loa Loa (eye worm)	DR-78	0.0111	0.2091	0.2091
Mycobacterium ulcerans	lipase LipD	0.0036	0.044	0.9774
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0032	0.0365	0.0665
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0018	0.0056	0.5
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0234	0.4826	1
Loa Loa (eye worm)	hypothetical protein	0.0124	0.2384	0.2384
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0234	0.4826	1
Brugia malayi	photoreceptor-specific nuclear receptor	0.0234	0.4826	1
Brugia malayi	ecdysteroid receptor	0.0234	0.4826	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0234	0.4826	1
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0234	0.4826	1
Mycobacterium leprae	Probable lipase LipE	0.0036	0.044	1
Loa Loa (eye worm)	hypothetical protein	0.0111	0.2091	0.2091
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0111	0.2091	0.3764
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0036	0.0449	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.044	0.044
Echinococcus multilocularis	disintegrin and metalloproteinase	0.0022	0.014	0.0289
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.076	0.076
Loa Loa (eye worm)	hypothetical protein	0.0036	0.044	0.044
Schistosoma mansoni	thyroid hormone receptor	0.0234	0.4826	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0234	0.4826	1
Echinococcus multilocularis	nuclear receptor nhr 48	0.0111	0.2091	0.4332
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.009	0.1644	0.3405
Loa Loa (eye worm)	hypothetical protein	0.018	0.3616	0.3616
Loa Loa (eye worm)	hypothetical protein	0.0111	0.2091	0.2091
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.044	1
Echinococcus granulosus	ecdysone induced protein 78C	0.0234	0.4826	0.9528
Onchocerca volvulus		0.0111	0.2091	0.3764
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.044	0.0911
Echinococcus granulosus	subfamily M12B unassigned peptidase	0.0022	0.014	0.0275
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0014	0.0014
Echinococcus granulosus	adam 17 protease	0.0245	0.5066	1
Brugia malayi	hypothetical protein	0.0111	0.2091	0.4332
Brugia malayi	beta-lactamase family protein	0.0036	0.044	0.0911
Mycobacterium ulcerans	esterase/lipase LipP	0.0036	0.044	0.9774
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0111	0.2091	0.2091
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0036	0.044	0.0826
Schistosoma mansoni	nuclear hormone receptor	0.0234	0.4826	1
Loa Loa (eye worm)	hypothetical protein	0.0234	0.4826	0.4826
Brugia malayi	nuclear receptor RXR	0.0111	0.2091	0.4332
Echinococcus multilocularis	muscleblind protein	0.0149	0.2931	0.6074
Toxoplasma gondii	ABC1 family protein	0.0036	0.044	0.9774
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.044	0.9774
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0036	0.044	0.0826
Echinococcus granulosus	thyroid hormone receptor alpha	0.0111	0.2091	0.4128
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0234	0.4826	1
Schistosoma mansoni	nuclear receptor nhr-48	0.0111	0.2091	0.4332
Brugia malayi	beta-lactamase	0.0036	0.044	0.0911
Loa Loa (eye worm)	hypothetical protein	0.0234	0.4826	0.4826
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.009	0.1644	0.3405
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0234	0.4826	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.044	0.9774
Schistosoma mansoni	inositol monophosphatase	0.0036	0.0449	0.0929
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0124	0.2384	0.4706
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0234	0.4826	1
Loa Loa (eye worm)	inositol-1	0.0036	0.0449	0.0449
Brugia malayi	ecdysone receptor	0.0111	0.2091	0.4332
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.076	0.1574
Schistosoma mansoni	hypothetical protein	0.0034	0.0408	0.0845
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0234	0.4826	0.9528
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0036	0.044	0.9774
Loa Loa (eye worm)	hypothetical protein	0.0149	0.2931	0.2931
Brugia malayi	tailless protein	0.0111	0.2091	0.4332
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0014	0.0014
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0234	0.4826	0.9528
Brugia malayi	beta-lactamase family protein	0.0036	0.044	0.0911
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0229	0.4704	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.009	0.1644	0.3405
Schistosoma mansoni	RAR-like nuclear receptor	0.0234	0.4826	1
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0234	0.4826	1
Brugia malayi	follicle stimulating hormone receptor	0.0227	0.4666	0.9667
Trichomonas vaginalis	inositol monophosphatase, putative	0.0036	0.0449	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0234	0.4826	1
Brugia malayi	Nuclear hormone receptor E75	0.0111	0.2091	0.4332
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0234	0.4826	1
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0036	0.0449	1
Loa Loa (eye worm)	hypothetical protein	0.0124	0.2384	0.2384
Brugia malayi	metalloprotease disintegrin 16 with thrombospondin type I motif	0.0105	0.1975	0.4091
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0036	0.0449	1
Onchocerca volvulus	Protein ultraspiracle homolog	0.0234	0.4826	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0124	0.2384	0.4939
Brugia malayi	Disintegrin family protein	0.0022	0.014	0.0289
Mycobacterium tuberculosis	Probable hydrolase	0.0036	0.044	0.0826
Loa Loa (eye worm)	hypothetical protein	0.005	0.076	0.076
Loa Loa (eye worm)	hypothetical protein	0.0124	0.2384	0.2384
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0234	0.4826	1
Mycobacterium leprae	conserved hypothetical protein	0.0036	0.044	1
Loa Loa (eye worm)	hypothetical protein	0.0111	0.2091	0.2091
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0124	0.2384	0.4939
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0234	0.4826	1
Echinococcus granulosus	muscleblind protein	0.0149	0.2931	0.5787
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0018	0.0056	0.5
Brugia malayi	nuclear hormone receptor	0.0111	0.2091	0.4332
Schistosoma mansoni	coup transcription factor	0.0234	0.4826	1
Schistosoma mansoni	thyroid hormone receptor	0.0234	0.4826	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0111	0.2091	0.4128
Schistosoma mansoni	ap endonuclease	0.0018	0.0056	0.0116
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0234	0.4826	1
Schistosoma mansoni	nuclear hormone receptor	0.0111	0.2091	0.4332
Mycobacterium tuberculosis	Probable lipase LipE	0.0036	0.044	0.0826
Schistosoma mansoni	ap endonuclease	0.0018	0.0056	0.0116
Schistosoma mansoni	subfamily M12B unassigned peptidase (M12 family)	0.0022	0.014	0.0289
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0018	0.0056	0.0056
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.044	0.9774
Brugia malayi	nuclear receptor NHR-88	0.0111	0.2091	0.4332
Brugia malayi	steroid hormone receptor	0.0234	0.4826	1
Schistosoma mansoni	nuclear hormone receptor	0.0111	0.2091	0.4332
Echinococcus granulosus	disintegrin and metalloproteinase	0.0022	0.014	0.0275
Leishmania major	hypothetical protein, conserved	0.0036	0.044	0.9774
Echinococcus multilocularis	subfamily M12B unassigned peptidase	0.0022	0.014	0.0289
Loa Loa (eye worm)	hypothetical protein	0.0111	0.2091	0.2091
Loa Loa (eye worm)	hypothetical protein	0.0234	0.4826	0.4826
Trypanosoma brucei	hypothetical protein, conserved	0.0036	0.044	0.9774
Brugia malayi	Nuclear hormone receptor-like 1	0.0124	0.2384	0.4939
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0111	0.2091	0.4128
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0234	0.4826	1
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0234	0.4826	0.4826
Brugia malayi	Steroid receptor seven-up type 2	0.0234	0.4826	1
Loa Loa (eye worm)	beta-lactamase	0.0036	0.044	0.044
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.009	0.1644	0.1644
Echinococcus multilocularis	muscleblind protein 1	0.0149	0.2931	0.6074
Onchocerca volvulus		0.0234	0.4826	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.076	0.1574
Brugia malayi	ADAMTS-like protease	0.0017	0.0014	0.0028
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0408	0.0845
Brugia malayi	nuclear receptor NHR-88	0.0234	0.4826	1
Brugia malayi	MH2 domain containing protein	0.0118	0.2264	0.4691
Loa Loa (eye worm)	steroid hormone receptor	0.0234	0.4826	0.4826
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.044	0.0911
Loa Loa (eye worm)	hypothetical protein	0.0234	0.4826	0.4826
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0124	0.2384	0.2384
Loa Loa (eye worm)	hypothetical protein	0.0036	0.044	0.044
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0111	0.2091	0.4332
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0111	0.2091	0.3764
Echinococcus granulosus	FTZ F1 alpha	0.0234	0.4826	0.9528
Brugia malayi	nuclear receptor NHR-67	0.0111	0.2091	0.4332
Schistosoma mansoni	nuclear receptor	0.0111	0.2091	0.4332
Trichomonas vaginalis	esterase, putative	0.0036	0.044	0.9774
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0234	0.4826	1
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0449	1
Schistosoma mansoni	subfamily M12B unassigned peptidase (M12 family)	0.0022	0.014	0.0289
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.044	0.9774
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0234	0.4826	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.044	0.0868
Mycobacterium tuberculosis	Probable esterase LipL	0.0036	0.044	0.0826
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0234	0.4826	1
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0111	0.2091	0.4332
Loa Loa (eye worm)	hypothetical protein	0.0111	0.2091	0.2091
Echinococcus multilocularis	inositol monophosphatase 1	0.0036	0.0449	0.0929
Onchocerca volvulus		0.0111	0.2091	0.3764
Loa Loa (eye worm)	hypothetical protein	0.0036	0.044	0.044
Schistosoma mansoni	inositol monophosphatase	0.0036	0.0449	0.0929
Loa Loa (eye worm)	hypothetical protein	0.0149	0.2931	0.2931
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0234	0.4826	0.9528
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0014	0.0014
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0234	0.4826	0.4826
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.009	0.1644	0.3405
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0111	0.2091	0.4332
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.009	0.1644	0.3405
Mycobacterium tuberculosis	Conserved protein	0.0036	0.044	0.0826
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0234	0.4826	1
Loa Loa (eye worm)	hypothetical protein	0.0124	0.2384	0.2384
Brugia malayi	nuclear hormone receptor family member odr-7	0.0111	0.2091	0.4332
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.044	0.9774
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0408	0.0408
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0111	0.2091	0.4332
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0018	0.0056	0.5
Schistosoma mansoni	adam (A disintegrin and metalloprotease	0.0039	0.0505	0.1046
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.044	0.9774
Loa Loa (eye worm)	hypothetical protein	0.0111	0.2091	0.2091
Brugia malayi	nuclear receptor RXR	0.0124	0.2384	0.4939
Echinococcus granulosus	inositol monophosphatase 1	0.0036	0.0449	0.0885
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0234	0.4826	0.4826
Loa Loa (eye worm)	hypothetical protein	0.0111	0.2091	0.2091
Loa Loa (eye worm)	hypothetical protein	0.0124	0.2384	0.2384
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.009	0.1644	0.3245
Onchocerca volvulus	Bile acid receptor homolog	0.0234	0.4826	1
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0111	0.2091	0.4128
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0234	0.4826	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0234	0.4826	1
Brugia malayi	exodeoxyribonuclease III family protein	0.0018	0.0056	0.0116
Echinococcus multilocularis	Blood coagulation inhibitor, Disintegrin	0.014	0.2739	0.5676
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0234	0.4826	1
Loa Loa (eye worm)	hypothetical protein	0.0111	0.2091	0.2091
Loa Loa (eye worm)	hypothetical protein	0.0234	0.4826	0.4826
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0036	0.044	0.0826
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0234	0.4826	0.4826
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0111	0.2091	0.4332
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0449	1
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0449	1
Mycobacterium tuberculosis	Conserved protein	0.0036	0.044	0.0826
Brugia malayi	orphan nuclear receptor NR2E1	0.0111	0.2091	0.4332
Loa Loa (eye worm)	hypothetical protein	0.0036	0.044	0.044
Mycobacterium tuberculosis	Probable lipase LipD	0.0036	0.044	0.0826
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0111	0.2091	0.4332
Mycobacterium tuberculosis	Conserved protein	0.0036	0.044	0.0826
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0124	0.2384	0.4939
Loa Loa (eye worm)	hypothetical protein	0.0234	0.4826	0.4826
Loa Loa (eye worm)	transcription factor SMAD2	0.0118	0.2264	0.2264
Brugia malayi	hypothetical protein	0.0124	0.2384	0.4939
Brugia malayi	ADAM-TS Spacer 1 family protein	0.0017	0.0014	0.0028
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0234	0.4826	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.009	0.1644	0.3245
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0234	0.4826	0.9528
Loa Loa (eye worm)	hypothetical protein	0.0111	0.2091	0.2091
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0234	0.4826	1
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0227	0.4666	0.4666
Schistosoma mansoni	nuclear receptor	0.0111	0.2091	0.4332
Echinococcus multilocularis	adam	0.0039	0.0505	0.1046
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.044	0.0911
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0036	0.0449	1
Brugia malayi	Nuclear hormone receptor E75	0.0111	0.2091	0.4332
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0234	0.4826	0.9528
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.044	0.044
Echinococcus multilocularis	a disintegrin and metalloproteinase with	0.0105	0.1975	0.4091
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0234	0.4826	0.9528
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0111	0.2091	0.2091
Loa Loa (eye worm)	hypothetical protein	0.0234	0.4826	0.4826
Schistosoma mansoni	retinoic acid receptor RXR	0.0234	0.4826	1
Brugia malayi	conserved hypotetical protein	0.0111	0.2091	0.4332
Mycobacterium ulcerans	beta-lactamase	0.0036	0.044	0.9774
Schistosoma mansoni	zinc finger protein	0.0111	0.2091	0.4332
Brugia malayi	nuclear hormone receptor	0.0234	0.4826	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0234	0.4826	0.4826
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0234	0.4826	0.9528
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0234	0.4826	1
Loa Loa (eye worm)	nuclear hormone receptor	0.0111	0.2091	0.2091
Brugia malayi	Muscleblind-like protein	0.0149	0.2931	0.6074
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0234	0.4826	1
Loa Loa (eye worm)	hypothetical protein	0.0111	0.2091	0.2091
Loa Loa (eye worm)	MH2 domain-containing protein	0.0118	0.2264	0.2264
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0018	0.0056	0.011
Brugia malayi	angiogenesis inhibito	0.0017	0.0014	0.0028
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.044	0.0911
Mycobacterium ulcerans	hypothetical protein	0.0036	0.044	0.9774
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0111	0.2091	0.4332
Echinococcus granulosus	Blood coagulation inhibitor Disintegrin	0.014	0.2739	0.5408
Brugia malayi	Inositol-1	0.0036	0.0449	0.0929
Loa Loa (eye worm)	hypothetical protein	0.0036	0.044	0.044
Brugia malayi	hypothetical protein	0.0039	0.0505	0.1046
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.044	0.9774
Schistosoma mansoni	ADAMTS5 peptidase (M12 family)	0.0105	0.1975	0.4091
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0234	0.4826	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0124	0.2384	0.4939
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0449	1
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0036	0.0449	1
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0111	0.2091	0.4332
Loa Loa (eye worm)	hypothetical protein	0.0111	0.2091	0.2091
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0111	0.2091	0.4128
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0036	0.0449	1
Echinococcus granulosus	nuclear receptor nhr 48	0.0111	0.2091	0.4128
Echinococcus granulosus	a disintegrin and metalloproteinase with	0.0105	0.1975	0.3898
Brugia malayi	hypothetical protein	0.0111	0.2091	0.4332
Loa Loa (eye worm)	hypothetical protein	0.0022	0.014	0.014
Brugia malayi	hypothetical protein	0.0124	0.2384	0.4939
Loa Loa (eye worm)	hypothetical protein	0.0234	0.4826	0.4826
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0111	0.2091	0.4332
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.018	0.3616	0.7241
Schistosoma mansoni	dihydroceramide desaturase	0.0022	0.014	0.0289
Loa Loa (eye worm)	reprolysin	0.0022	0.014	0.014
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0234	0.4826	0.4826
Loa Loa (eye worm)	hypothetical protein	0.0111	0.2091	0.2091
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.009	0.1644	0.3405
Echinococcus multilocularis	ecdysone induced protein 78C	0.0234	0.4826	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0234	0.4826	0.4826
Echinococcus multilocularis	FTZ F1 alpha	0.0234	0.4826	1
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0234	0.4826	1
Loa Loa (eye worm)	hypothetical protein	0.0111	0.2091	0.2091

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 0.46 uM	Inhibition of LPS-stimulated TNF-alpha release in human whole blood	ChEMBL.	11472217
IC50 (functional)	= 0.46 uM	Inhibition of LPS-stimulated TNF-alpha release in human whole blood	ChEMBL.	11472217

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

PubChem: 11092806

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 147241