TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 540.606 | Formula: C32H32N2O6
H donors: 0 H acceptors: 0 LogP: 6.41 Rotable bonds: 11
Rule of 5 violations (Lipinski): 2
SMILES: COc1cc(cc(c1OC)OC)/C(=N\c1ccccc1)/C(=N/c1ccccc1)/c1cc(OC)c(c(c1)OC)OC
InChi: 1S/C32H32N2O6/c1-35-25-17-21(18-26(36-2)31(25)39-5)29(33-23-13-9-7-10-14-23)30(34-24-15-11-8-12-16-24)22-19-27(37-3)32(40-6)28(20-22)38-4/h7-20H,1-6H3/b33-29+,34-30+
InChiKey: CDAYAQQXIGZPAN-BNRZXNFUSA-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

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Vaccinia virus	N1L	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Treponema pallidum	ATP-binding protein (ylxH-1)	Get druggable targets OG5_130683	All targets in OG5_130683

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma mansoni	family C12 unassigned peptidase (C12 family)	N1L	117 aa	99 aa	21.2 %
Trichomonas vaginalis	Maverick transposable element conserved hypothetical protein	N1L	117 aa	112 aa	17.0 %
Loa Loa (eye worm)	hypothetical protein	N1L	117 aa	102 aa	25.5 %
Plasmodium berghei	Plasmodium exported protein, unknown function	N1L	117 aa	97 aa	25.8 %
Onchocerca volvulus		N1L	117 aa	102 aa	28.4 %
Trichomonas vaginalis	conserved hypothetical protein	N1L	117 aa	99 aa	16.2 %
Leishmania braziliensis	phosphomevalonate kinase protein, putative	N1L	117 aa	100 aa	28.0 %
Babesia bovis	phosphatidylinositol 3- and 4-kinase family protein	N1L	117 aa	95 aa	26.3 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	tailless protein	0.0038	0.0088	0.036
Brugia malayi	steroid hormone receptor	0.0081	0.0322	0.1309
Brugia malayi	nuclear receptor RXR	0.0043	0.0113	0.0461
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0113	0.0461
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.0025	0.0015	0.1341
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0081	0.0322	0.1309
Brugia malayi	beta-lactamase family protein	0.0043	0.0115	0.0467
Echinococcus granulosus	FTZ F1 alpha	0.0081	0.0322	0.1615
Schistosoma mansoni	coup transcription factor	0.0081	0.0322	0.1615
Plasmodium vivax	hypothetical protein, conserved	0.0043	0.0115	0.3033
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0081	0.0322	0.1309
Schistosoma mansoni	hypothetical protein	0.0054	0.0175	0.0878
Schistosoma mansoni	nuclear hormone receptor	0.0038	0.0088	0.0444
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0081	0.0322	0.1615
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0053	0.0169	0.0846
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0088	0.036
Brugia malayi	hypothetical protein	0.0038	0.0088	0.036
Schistosoma mansoni	peptidase Clp (S14 family)	0.0091	0.0379	0.1902
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0081	0.0322	0.1309
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0322	0.1309
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0081	0.0322	0.1309
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0043	0.0113	0.0569
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0115	0.0467
Loa Loa (eye worm)	hypothetical protein	0.004	0.0101	0.0411
Schistosoma mansoni	tar DNA-binding protein	0.0145	0.0675	0.3386
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0088	0.036
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0043	0.0115	0.0832
Entamoeba histolytica	acyl-coA synthetase, putative	0.0054	0.0176	0.5311
Trichomonas vaginalis	set domain proteins, putative	0.0537	0.2816	1
Schistosoma mansoni	tar DNA-binding protein	0.0145	0.0675	0.3386
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0081	0.0322	0.1615
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0025	0.0015	0.0015
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0091	0.0379	1
Brugia malayi	hypothetical protein	0.0043	0.0113	0.0461
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0038	0.0089	0.0644
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0113	0.0461
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0322	0.1309
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0088	0.036
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0054	0.0176	0.5311
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0176	0.0715
Brugia malayi	nuclear receptor RXR	0.0038	0.0088	0.036
Brugia malayi	conserved hypotetical protein	0.0038	0.0088	0.036
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0068	0.025	0.025
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0081	0.0322	0.1309
Onchocerca volvulus		0.0054	0.0176	0.0321
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0113	0.0461
Onchocerca volvulus		0.0043	0.0115	0.0097
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0038	0.0088	0.0088
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0081	0.0322	0.1309
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0031	0.0052	0.0186
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0091	0.0379	1
Mycobacterium ulcerans	esterase/lipase LipP	0.0043	0.0115	0.3033
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0054	0.0176	0.464
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0054	0.0176	0.464
Brugia malayi	RNA recognition motif domain containing protein	0.0145	0.0675	0.2744
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0053	0.0169	0.0686
Schistosoma mansoni	importin beta-1	0.0034	0.0064	0.0321
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0171	0.0812	0.3302
Onchocerca volvulus		0.0068	0.025	0.0592
Mycobacterium tuberculosis	Probable hydrolase	0.0043	0.0115	0.0832
Echinococcus granulosus	beta LACTamase domain containing family member	0.0043	0.0115	0.0577
Schistosoma mansoni	hypothetical protein	0.0359	0.1844	0.9253
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0091	0.0379	1
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0068	0.025	0.6596
Schistosoma mansoni	nuclear receptor nhr-48	0.0038	0.0088	0.0444
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0038	0.0088	0.0088
Schistosoma mansoni	tar DNA-binding protein	0.0145	0.0675	0.3386
Toxoplasma gondii	HEAT repeat-containing protein	0.0034	0.0064	0.1688
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0081	0.0322	0.1309
Entamoeba histolytica	hypothetical protein	0.0027	0.0029	0.0881
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0115	0.0408
Schistosoma mansoni	transcription factor LCR-F1	0.0083	0.0331	0.1661
Mycobacterium ulcerans	acyl-CoA synthetase	0.0054	0.0176	0.464
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0081	0.0322	0.1615
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0054	0.0175	0.0711
Brugia malayi	nuclear receptor NHR-88	0.0081	0.0322	0.1309
Schistosoma mansoni	thyroid hormone receptor	0.0081	0.0322	0.1615
Schistosoma mansoni	ran	0.0025	0.0015	0.0077
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0113	0.0461
Brugia malayi	Nuclear hormone receptor E75	0.0038	0.0088	0.036
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0038	0.0089	0.0644
Leishmania major	importin beta-1 subunit, putative	0.0027	0.0029	0.166
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0038	0.0088	0.0088
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0081	0.0322	0.1309
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0081	0.0322	0.1309
Echinococcus granulosus	GPCR family 2	0.0054	0.0175	0.0878
Entamoeba histolytica	Ran family GTPase	0.0025	0.0015	0.0465
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0038	0.0088	0.036
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0038	0.0088	0.0444
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0115	0.0467
Brugia malayi	AMP-binding enzyme family protein	0.0054	0.0176	0.0715
Entamoeba histolytica	hypothetical protein	0.0083	0.0331	1
Trichomonas vaginalis	esterase, putative	0.0043	0.0115	0.0408
Schistosoma mansoni	nuclear receptor	0.0038	0.0088	0.0444
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0038	0.0088	0.036
Leishmania major	4-coumarate:coa ligase-like protein	0.0054	0.0176	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0053	0.0169	0.0686
Echinococcus multilocularis	snurportin 1	0.0359	0.1844	0.1844
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0081	0.0322	0.0322
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0275	0.1381	1
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0038	0.0088	0.0444
Loa Loa (eye worm)	TAR-binding protein	0.0145	0.0675	0.2744
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0081	0.0322	0.1309
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0088	0.036
Brugia malayi	latrophilin 2 splice variant baaae	0.0117	0.0517	0.2103
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0322	0.1309
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0176	0.0715
Schistosoma mansoni	hypothetical protein	0.0054	0.0175	0.0878
Onchocerca volvulus		0.0043	0.0115	0.0097
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0038	0.0088	0.0444
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0083	0.0331	0.0331
Brugia malayi	nuclear hormone receptor	0.0038	0.0088	0.036
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0115	0.0408
Echinococcus granulosus	nuclear receptor nhr 48	0.0038	0.0088	0.0444
Schistosoma mansoni	ran	0.0025	0.0015	0.0077
Onchocerca volvulus	Bile acid receptor homolog	0.0081	0.0322	0.0856
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0053	0.0169	0.0169
Mycobacterium ulcerans	acyl-CoA synthetase	0.0054	0.0176	0.464
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.006	0.0207	0.1499
Brugia malayi	hypothetical protein	0.0038	0.0088	0.036
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0081	0.0322	0.0322
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0091	0.0379	0.1357
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0081	0.0322	0.1309
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0081	0.0322	0.1615
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0359	0.1844	0.7498
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.004	0.0101	0.2667
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0043	0.0113	0.0569
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0176	0.0715
Loa Loa (eye worm)	steroid hormone receptor	0.0081	0.0322	0.1309
Schistosoma mansoni	hypothetical protein	0.0054	0.0175	0.0878
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0054	0.0176	0.379
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0091	0.0379	1
Mycobacterium ulcerans	hypothetical protein	0.0054	0.0176	0.464
Echinococcus granulosus	snurportin 1	0.0359	0.1844	0.9253
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0081	0.0322	0.1309
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0088	0.036
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0054	0.0176	0.1273
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	0.0025	0.0015	0.0407
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0322	0.1309
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0038	0.0089	0.0644
Plasmodium falciparum	importin beta, putative	0.0034	0.0064	0.1688
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0053	0.0169	0.0169
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0091	0.0379	1
Mycobacterium tuberculosis	Probable esterase LipL	0.0043	0.0115	0.0832
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0054	0.0175	0.0878
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0322	0.1309
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0043	0.0113	0.0461
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0113	0.0461
Echinococcus multilocularis	importin subunit beta 1	0.0034	0.0064	0.0064
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.006	0.0207	0.1499
Brugia malayi	photoreceptor-specific nuclear receptor	0.0081	0.0322	0.1309
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0115	0.0577
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0031	0.0052	0.137
Brugia malayi	nuclear hormone receptor	0.0081	0.0322	0.1309
Loa Loa (eye worm)	hypothetical protein	0.004	0.0101	0.0411
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0054	0.0176	0.464
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0027	0.0029	0.2539
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0068	0.025	0.1254
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0322	0.1309
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0053	0.0169	0.0846
Mycobacterium ulcerans	lipase LipD	0.0043	0.0115	0.3033
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0115	0.0832
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0081	0.0322	0.1615
Onchocerca volvulus	Protein ultraspiracle homolog	0.0081	0.0322	0.0856
Echinococcus granulosus	histone lysine methyltransferase setb	0.0068	0.025	0.1254
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0054	0.0175	0.0175
Loa Loa (eye worm)	hypothetical protein	0.004	0.0101	0.0411
Leishmania major	4-coumarate:coa ligase-like protein	0.0054	0.0176	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0088	0.036
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0088	0.036
Onchocerca volvulus		0.0081	0.0322	0.0856
Leishmania major	4-coumarate:coa ligase-like protein	0.0054	0.0176	1
Schistosoma mansoni	tar DNA-binding protein	0.0145	0.0675	0.3386
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0038	0.0088	0.0444
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0115	0.0467
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0322	0.1309
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0091	0.0379	0.0379
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0054	0.0175	0.0175
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0115	0.0408
Schistosoma mansoni	thyroid hormone receptor	0.0081	0.0322	0.1615
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0064	0.026
Entamoeba histolytica	hypothetical protein	0.0083	0.0331	1
Schistosoma mansoni	hypothetical protein	0.0117	0.0517	0.2595
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0115	0.0832
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0081	0.0322	0.1309
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0038	0.0088	0.0088
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0115	0.0408
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0115	0.0467
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0081	0.0322	0.1309
Echinococcus granulosus	importin subunit beta 1	0.0034	0.0064	0.0321
Schistosoma mansoni	hypothetical protein	0.0054	0.0175	0.0878
Brugia malayi	AMP-binding enzyme family protein	0.0054	0.0176	0.0715
Echinococcus multilocularis	tar DNA binding protein	0.0145	0.0675	0.0675
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0038	0.0088	0.036
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0115	0.0467
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0091	0.0379	1
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0038	0.0088	0.0444
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0081	0.0322	0.1615
Schistosoma mansoni	tar DNA-binding protein	0.0145	0.0675	0.3386
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0068	0.025	0.1254
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0091	0.0379	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0043	0.0115	0.0467
Entamoeba histolytica	hypothetical protein	0.0083	0.0331	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0088	0.036
Brugia malayi	nuclear hormone receptor family member odr-7	0.0038	0.0088	0.036
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0379	0.1541
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0054	0.0176	0.379
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0054	0.0175	0.0711
Loa Loa (eye worm)	RNA binding protein	0.0145	0.0675	0.2744
Mycobacterium ulcerans	beta-lactamase	0.0043	0.0115	0.3033
Schistosoma mansoni	retinoic acid receptor RXR	0.0081	0.0322	0.1615
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0081	0.0322	0.1615
Brugia malayi	Steroid receptor seven-up type 2	0.0081	0.0322	0.1309
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0083	0.0331	0.1661
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0081	0.0322	0.1309
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0043	0.0115	0.0467
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0068	0.025	0.1254
Brugia malayi	Importin beta-1 subunit	0.0034	0.0064	0.026
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0038	0.0088	0.036
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0115	0.0577
Echinococcus granulosus	geminin	0.0387	0.1993	1
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0081	0.0322	0.1309
Mycobacterium ulcerans	acyl-CoA synthetase	0.0054	0.0176	0.464
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0081	0.0322	0.1309
Brugia malayi	orphan nuclear receptor NR2E1	0.0038	0.0088	0.036
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0043	0.0115	0.3033
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0088	0.036
Loa Loa (eye worm)	DR-78	0.0038	0.0088	0.036
Plasmodium falciparum	acyl-CoA synthetase	0.004	0.0101	0.2667
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0038	0.0088	0.0088
Brugia malayi	ecdysone receptor	0.0038	0.0088	0.036
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0115	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0115	0.0467
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0025	0.0015	0.1341
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0053	0.0169	0.0846
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0043	0.0115	0.0832
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0115	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0088	0.036
Mycobacterium leprae	conserved hypothetical protein	0.0043	0.0115	0.1927
Brugia malayi	AMP-binding enzyme family protein	0.0054	0.0176	0.0715
Schistosoma mansoni	nuclear hormone receptor	0.0038	0.0088	0.0444
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.004	0.0101	0.0732
Trichomonas vaginalis	ran, putative	0.0025	0.0015	0.0055
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0145	0.0675	0.2744
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0043	0.0115	0.0832
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0322	0.1309
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0081	0.0322	0.1615
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0054	0.0175	0.0878
Treponema pallidum	ATP-binding protein (ylxH-1)	0.0533	0.2794	1
Brugia malayi	RNA, U transporter 1	0.0096	0.0403	0.1639
Echinococcus granulosus	tar DNA binding protein	0.0145	0.0675	0.3386
Brugia malayi	Probable ClpP-like protease	0.0091	0.0379	0.1541
Trypanosoma brucei	importin beta-1 subunit, putative	0.0034	0.0064	0.5566
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0175	0.0711
Brugia malayi	TAR-binding protein	0.0145	0.0675	0.2744
Brugia malayi	hypothetical protein	0.0043	0.0113	0.0461
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0027	0.0029	0.0104
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0091	0.0379	1
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0091	0.0379	1
Brugia malayi	Pre-SET motif family protein	0.0472	0.246	1
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0081	0.0322	0.1615
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0171	0.0812	0.3302
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0054	0.0176	0.464
Brugia malayi	nuclear receptor NHR-67	0.0038	0.0088	0.036
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0038	0.0088	0.0444
Brugia malayi	Pre-SET motif family protein	0.0068	0.025	0.1016
Brugia malayi	Nuclear hormone receptor-like 1	0.0043	0.0113	0.0461
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	0.0025	0.0015	0.0407
Brugia malayi	ecdysteroid receptor	0.0081	0.0322	0.1309
Leishmania major	hypothetical protein, conserved	0.0043	0.0115	0.6537
Schistosoma mansoni	hypothetical protein	0.0387	0.1993	1
Mycobacterium tuberculosis	Probable lipase LipD	0.0043	0.0115	0.0832
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0088	0.036
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0038	0.0089	0.0644
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0115	0.0408
Echinococcus multilocularis	geminin	0.0387	0.1993	0.1993
Onchocerca volvulus		0.0537	0.2816	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0081	0.0322	0.1615
Loa Loa (eye worm)	hypothetical protein	0.004	0.0101	0.0411
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0472	0.246	1
Trypanosoma brucei	importin beta-1 subunit, putative	0.0034	0.0064	0.5566
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0088	0.036
Echinococcus granulosus	ecdysone induced protein 78C	0.0081	0.0322	0.1615
Trypanosoma brucei	hypothetical protein, conserved	0.0043	0.0115	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0081	0.0322	0.1615
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0081	0.0322	0.0322
Brugia malayi	Nuclear hormone receptor-like 1	0.0081	0.0322	0.1309
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0031	0.0052	0.137
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0043	0.0115	0.0115
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.006	0.0207	0.4744
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0025	0.0015	0.0063
Echinococcus granulosus	thyroid hormone receptor alpha	0.0038	0.0088	0.0444
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0081	0.0322	0.1615
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0043	0.0113	0.0569
Mycobacterium tuberculosis	Probable lipase LipE	0.0043	0.0115	0.0832
Brugia malayi	Latrophilin receptor protein 2	0.0054	0.0175	0.0711
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0088	0.036
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0065	0.0236	0.1186
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0115	0.0832
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0025	0.0015	0.0063
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0081	0.0322	0.1309
Mycobacterium ulcerans	hypothetical protein	0.0043	0.0115	0.3033
Schistosoma mansoni	hypothetical protein	0.0083	0.0331	0.1661
Schistosoma mansoni	RAR-like nuclear receptor	0.0081	0.0322	0.1615
Brugia malayi	RNA binding protein	0.0145	0.0675	0.2744
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0054	0.0176	0.5311
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0068	0.025	0.1254
Schistosoma mansoni	zinc finger protein	0.0038	0.0088	0.0444
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0081	0.0322	0.1309
Trichomonas vaginalis	importin beta-1, putative	0.0027	0.0029	0.0104
Toxoplasma gondii	GTP-binding nuclear protein ran/tc4	0.0025	0.0015	0.0407
Echinococcus multilocularis	ecdysone induced protein 78C	0.0081	0.0322	0.0322
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0025	0.0015	0.1341
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0053	0.0169	0.0846
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0025	0.0015	0.0077
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0081	0.0322	0.0322
Brugia malayi	beta-lactamase	0.0043	0.0115	0.0467
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0081	0.0322	0.1615
Entamoeba histolytica	hypothetical protein	0.0083	0.0331	1
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0081	0.0322	0.1615
Brugia malayi	Nuclear hormone receptor E75	0.0038	0.0088	0.036
Mycobacterium leprae	Probable lipase LipE	0.0043	0.0115	0.1927
Brugia malayi	beta-lactamase family protein	0.0043	0.0115	0.0467
Loa Loa (eye worm)	hypothetical protein	0.0117	0.0517	0.2103
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0068	0.025	0.025
Plasmodium vivax	acyl-CoA synthetase, putative	0.004	0.0101	0.2667
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0081	0.0322	0.0856
Toxoplasma gondii	ABC1 family protein	0.0043	0.0115	0.3033
Brugia malayi	hypothetical protein	0.0083	0.0331	0.1346
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0054	0.0176	0.1273
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0043	0.0113	0.0113
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0171	0.0812	0.3302
Loa Loa (eye worm)	beta-lactamase	0.0043	0.0115	0.0467
Onchocerca volvulus		0.0043	0.0115	0.0097
Schistosoma mansoni	hypothetical protein	0.0387	0.1993	1
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0081	0.0322	0.0322
Loa Loa (eye worm)	nuclear hormone receptor	0.0038	0.0088	0.036
Schistosoma mansoni	nuclear hormone receptor	0.0081	0.0322	0.1615
Echinococcus multilocularis	FTZ F1 alpha	0.0081	0.0322	0.0322
Echinococcus granulosus	peptidase Clp S14 family	0.006	0.0207	0.1039
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0027	0.0029	0.0104
Echinococcus multilocularis	nuclear receptor nhr 48	0.0038	0.0088	0.0088
Loa Loa (eye worm)	hypothetical protein	0.004	0.0101	0.0411
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0091	0.0379	0.1902
Toxoplasma gondii	hypothetical protein	0.0031	0.0052	0.137
Leishmania major	GTP-binding protein, putative	0.0025	0.0015	0.0876
Brugia malayi	Nuclear hormone receptor-like 1	0.0043	0.0113	0.0461
Plasmodium vivax	SET domain protein, putative	0.0068	0.025	0.6596
Echinococcus multilocularis	GPCR, family 2	0.0054	0.0175	0.0175
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0081	0.0322	0.0322
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0081	0.0322	0.0322
Plasmodium vivax	importin-beta 2, putative	0.0034	0.0064	0.1688
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0091	0.0379	1
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0081	0.0322	0.1309
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0053	0.0169	0.0846
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0025	0.0015	1
Brugia malayi	nuclear receptor NHR-88	0.0038	0.0088	0.036
Loa Loa (eye worm)	hypothetical protein	0.0068	0.025	0.1016
Loa Loa (eye worm)	hypothetical protein	0.0171	0.0812	0.3302
Schistosoma mansoni	nuclear receptor	0.0038	0.0088	0.0444
Echinococcus multilocularis	peptidase Clp (S14 family)	0.006	0.0207	0.0207

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 2.4 uM	Displacement of FITC-conjugated BH3-Bak peptide from Vaccinia virus recombinant N1L expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay	ChEMBL.	20441222
IC50 (binding)	= 2.4 uM	Displacement of FITC-conjugated BH3-Bak peptide from 0.5 uM Vaccinia virus recombinant N1L expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay	ChEMBL.	20441222
IC50 (binding)	= 3.5 uM	Displacement of FITC-conjugated BH3-Bak peptide from 1 uM Vaccinia virus recombinant N1L expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay	ChEMBL.	20441222

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: CHEMBL1098118

Bibliographic References

No literature references available for this target.

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

Detailed information for compound 1125296