TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 560.46 | Formula: C25H26BrN3O5S
H donors: 1 H acceptors: 4 LogP: 5.28 Rotable bonds: 10
Rule of 5 violations (Lipinski): 2
SMILES: CCCc1nc2c(n1CCOc1ccc(cc1C(=O)OC)CC1SC(=O)NC1=O)cc(cc2C)Br
InChi: 1S/C25H26BrN3O5S/c1-4-5-21-27-22-14(2)10-16(26)13-18(22)29(21)8-9-34-19-7-6-15(11-17(19)24(31)33-3)12-20-23(30)28-25(32)35-20/h6-7,10-11,13,20H,4-5,8-9,12H2,1-3H3,(H,28,30,32)
InChiKey: OQMNGYMSUWNTIE-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

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

TDR Pathogens:

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

Other Pathogens:

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

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Type-1A angiotensin II receptor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	Type-1A angiotensin II receptor	359 aa	407 aa	19.4 %
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	Type-1A angiotensin II receptor	359 aa	351 aa	21.9 %
Onchocerca volvulus		Type-1A angiotensin II receptor	359 aa	395 aa	23.0 %
Echinococcus multilocularis	G-protein coupled receptor, putative	Type-1A angiotensin II receptor	359 aa	308 aa	22.4 %
Onchocerca volvulus		Type-1A angiotensin II receptor	359 aa	294 aa	23.8 %
Loa Loa (eye worm)	hypothetical protein	Type-1A angiotensin II receptor	359 aa	335 aa	23.3 %
Echinococcus granulosus	growth hormone secretagogue receptor type 1	Type-1A angiotensin II receptor	359 aa	351 aa	21.9 %
Echinococcus granulosus	neuropeptide receptor	Type-1A angiotensin II receptor	359 aa	316 aa	25.0 %
Schistosoma mansoni	adenoreceptor	Type-1A angiotensin II receptor	359 aa	329 aa	24.0 %
Brugia malayi	ORL1-like opioid receptor	Type-1A angiotensin II receptor	359 aa	314 aa	20.1 %
Onchocerca volvulus	E3 ubiquitin-protein ligase rpm-1 homolog	Type-1A angiotensin II receptor	359 aa	352 aa	20.5 %
Echinococcus granulosus	thyrotropin releasing hormone receptor	Type-1A angiotensin II receptor	359 aa	337 aa	24.0 %
Echinococcus granulosus	tm gpcr rhodopsin	Type-1A angiotensin II receptor	359 aa	303 aa	22.4 %
Onchocerca volvulus		Type-1A angiotensin II receptor	359 aa	314 aa	25.8 %
Schistosoma japonicum	Rhodopsin, putative	Type-1A angiotensin II receptor	359 aa	327 aa	24.2 %
Brugia malayi	GnHR receptor homolog	Type-1A angiotensin II receptor	359 aa	364 aa	20.9 %
Echinococcus granulosus	allatostatin A receptor	Type-1A angiotensin II receptor	359 aa	348 aa	25.9 %
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	Type-1A angiotensin II receptor	359 aa	303 aa	22.4 %
Schistosoma mansoni	peptide (allatostatin)-like receptor	Type-1A angiotensin II receptor	359 aa	314 aa	26.1 %
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	Type-1A angiotensin II receptor	359 aa	406 aa	20.0 %
Onchocerca volvulus		Type-1A angiotensin II receptor	359 aa	312 aa	19.2 %
Echinococcus multilocularis	allatostatin A receptor	Type-1A angiotensin II receptor	359 aa	348 aa	25.9 %
Loa Loa (eye worm)	hypothetical protein	Type-1A angiotensin II receptor	359 aa	330 aa	26.7 %
Schistosoma japonicum	ko:K04209 neuropeptide Y receptor, invertebrate, putative	Type-1A angiotensin II receptor	359 aa	311 aa	23.5 %
Echinococcus multilocularis	neuropeptide receptor	Type-1A angiotensin II receptor	359 aa	316 aa	25.3 %
Onchocerca volvulus		Type-1A angiotensin II receptor	359 aa	303 aa	25.1 %
Echinococcus multilocularis	thyrotropin releasing hormone receptor	Type-1A angiotensin II receptor	359 aa	334 aa	23.7 %
Schistosoma japonicum	ko:K04134 cholinergic receptor, invertebrate, putative	Type-1A angiotensin II receptor	359 aa	336 aa	22.3 %
Loa Loa (eye worm)	neuropeptide F receptor	Type-1A angiotensin II receptor	359 aa	356 aa	24.2 %
Onchocerca volvulus		Type-1A angiotensin II receptor	359 aa	386 aa	24.9 %
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	Type-1A angiotensin II receptor	359 aa	346 aa	18.2 %
Schistosoma mansoni	opsin-like receptor	Type-1A angiotensin II receptor	359 aa	299 aa	25.1 %
Brugia malayi	putative neuropeptide receptor NPR1	Type-1A angiotensin II receptor	359 aa	295 aa	27.5 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.1253	1	1
Brugia malayi	beta-lactamase family protein	0.0037	0.0242	0.0242
Loa Loa (eye worm)	hypothetical protein	0.0591	0.4687	0.4687
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0037	0.0242	0.1302
Echinococcus granulosus	thyroid hormone receptor alpha	0.0591	0.4687	0.4687
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0089	0.0089
Loa Loa (eye worm)	hypothetical protein	0.1253	1	1
Loa Loa (eye worm)	hypothetical protein	0.0155	0.1185	0.1185
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0662	0.5256	0.5256
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0081	0.0439
Brugia malayi	nuclear receptor NHR-88	0.1253	1	1
Loa Loa (eye worm)	hypothetical protein	0.0591	0.4687	0.4687
Loa Loa (eye worm)	hypothetical protein	0.0591	0.4687	0.4687
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.019	0.019
Echinococcus multilocularis	ecdysone induced protein 78C	0.1253	1	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0081	0.0439
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0031	0.019	0.019
Brugia malayi	Pre-SET motif family protein	0.0216	0.1673	0.1673
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0591	0.4687	0.4687
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0089	0.0089
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.1253	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.1253	1	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0662	0.5256	0.5256
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.1253	1	1
Toxoplasma gondii	ABC1 family protein	0.0037	0.0242	0.5402
Loa Loa (eye worm)	hypothetical protein	0.0662	0.5256	0.5256
Mycobacterium tuberculosis	Probable lipase LipE	0.0037	0.0242	0.1302
Echinococcus granulosus	muscleblind protein	0.0155	0.1185	0.1185
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0037	0.0242	0.1302
Echinococcus granulosus	FTZ F1 alpha	0.1253	1	1
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0662	0.5256	0.5256
Loa Loa (eye worm)	steroid hormone receptor	0.1253	1	1
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0025	0.0139	0.3115
Brugia malayi	nuclear hormone receptor	0.1253	1	1
Onchocerca volvulus		0.0031	0.019	0.019
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0591	0.4687	0.4687
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0063	0.0447	0.0447
Loa Loa (eye worm)	hypothetical protein	0.1253	1	1
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.1253	1	1
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0037	0.0242	0.5402
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.1253	1	1
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.0139	0.0139
Mycobacterium ulcerans	esterase/lipase LipP	0.0037	0.0242	0.5402
Brugia malayi	hypothetical protein	0.0662	0.5256	0.5256
Entamoeba histolytica	acyl-coA synthetase, putative	0.0025	0.0139	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.1253	1	1
Brugia malayi	conserved hypotetical protein	0.0591	0.4687	0.4687
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.0139	0.3115
Loa Loa (eye worm)	hypothetical protein	0.1253	1	1
Loa Loa (eye worm)	hypothetical protein	0.0591	0.4687	0.4687
Plasmodium vivax	hypothetical protein, conserved	0.0037	0.0242	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.1253	1	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0063	0.0447	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0139	0.0139
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0139	0.0139
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0081	0.0439
Trichomonas vaginalis	esterase, putative	0.0037	0.0242	0.1263
Loa Loa (eye worm)	hypothetical protein	0.0591	0.4687	0.4687
Plasmodium falciparum	acyl-CoA synthetase	0.0018	0.0089	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0089	0.0089
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.1253	1	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0242	0.0242
Echinococcus multilocularis	nuclear receptor nhr 48	0.0591	0.4687	0.4687
Schistosoma mansoni	thyroid hormone receptor	0.1253	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.1253	1	1
Loa Loa (eye worm)	hypothetical protein	0.0591	0.4687	0.4687
Loa Loa (eye worm)	hypothetical protein	0.0591	0.4687	0.4687
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0031	0.019	0.019
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0591	0.4687	0.4687
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0591	0.4687	0.4687
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.1253	1	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.1253	1	1
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0018	0.0089	0.5
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0025	0.0139	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0139	0.0139
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.0139	0.0139
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0242	0.1302
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0591	0.4687	0.4687
Mycobacterium leprae	conserved hypothetical protein	0.0037	0.0242	1
Loa Loa (eye worm)	hypothetical protein	0.0662	0.5256	0.5256
Schistosoma mansoni	coup transcription factor	0.1253	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.1253	1	1
Brugia malayi	nuclear receptor RXR	0.0662	0.5256	0.5256
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0662	0.5256	0.5256
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0037	0.0242	0.0242
Loa Loa (eye worm)	DR-78	0.0591	0.4687	0.4687
Brugia malayi	Nuclear hormone receptor-like 1	0.0662	0.5256	0.5256
Brugia malayi	steroid hormone receptor	0.1253	1	1
Mycobacterium tuberculosis	Probable esterase LipL	0.0037	0.0242	0.1302
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0025	0.0139	0.5766
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.1253	1	1
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.1253	1	1
Echinococcus granulosus	nuclear receptor nhr 48	0.0591	0.4687	0.4687
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.1253	1	1
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.1253	1	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.1253	1	1
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.1253	1	1
Echinococcus granulosus	geminin	0.0176	0.1352	0.1352
Onchocerca volvulus		0.0037	0.0242	0.0242
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0242	0.1263
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0591	0.4687	0.4687
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0025	0.0139	1
Brugia malayi	Pre-SET motif family protein	0.0031	0.019	0.019
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0037	0.0242	0.0242
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.1253	1	1
Brugia malayi	beta-lactamase family protein	0.0037	0.0242	0.0242
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0025	0.0139	0.0751
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0063	0.0447	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.1253	1	1
Brugia malayi	nuclear receptor NHR-67	0.0591	0.4687	0.4687
Brugia malayi	Nuclear hormone receptor-like 1	0.0662	0.5256	0.5256
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0238	0.1856	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.1253	1	1
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0242	0.1302
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0025	0.0139	0.3115
Loa Loa (eye worm)	hypothetical protein	0.1253	1	1
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.003	0.0181	0.0181
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0591	0.4687	0.4687
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.1253	1	1
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.0089	0.0482
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0591	0.4687	0.4687
Onchocerca volvulus		0.0025	0.0139	0.0139
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.1253	1	1
Mycobacterium tuberculosis	Probable lipase LipD	0.0037	0.0242	0.1302
Schistosoma mansoni	nuclear receptor	0.0591	0.4687	0.4687
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0242	0.0242
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.0139	0.3115
Trichomonas vaginalis	set domain proteins, putative	0.0245	0.1913	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.019	0.019
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0242	1
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0063	0.0447	0.0447
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0591	0.4687	0.4687
Schistosoma mansoni	steroid hormone receptor ad4bp	0.1253	1	1
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.1253	1	1
Schistosoma mansoni	RAR-like nuclear receptor	0.1253	1	1
Loa Loa (eye worm)	hypothetical protein	0.0591	0.4687	0.4687
Brugia malayi	ecdysone receptor	0.0591	0.4687	0.4687
Brugia malayi	photoreceptor-specific nuclear receptor	0.1253	1	1
Brugia malayi	tailless protein	0.0591	0.4687	0.4687
Loa Loa (eye worm)	hypothetical protein	0.0662	0.5256	0.5256
Loa Loa (eye worm)	hypothetical protein	0.1253	1	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.0139	0.3115
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0089	0.0089
Onchocerca volvulus		0.0037	0.0242	0.0242
Loa Loa (eye worm)	hypothetical protein	0.0591	0.4687	0.4687
Schistosoma mansoni	nuclear receptor nhr-48	0.0591	0.4687	0.4687
Schistosoma mansoni	nuclear hormone receptor	0.1253	1	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0242	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.0139	0.3115
Echinococcus multilocularis	muscleblind protein	0.0155	0.1185	0.1185
Onchocerca volvulus		0.0037	0.0242	0.0242
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0662	0.5256	0.5256
Toxoplasma gondii	aldehyde dehydrogenase	0.0063	0.0447	1
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.1253	1	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0242	0.0242
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0063	0.0447	1
Onchocerca volvulus		0.1253	1	1
Echinococcus multilocularis	thyroid hormone receptor alpha	0.1253	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.1253	1	1
Echinococcus multilocularis	geminin	0.0176	0.1352	0.1352
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.1253	1	1
Leishmania major	hypothetical protein, conserved	0.0037	0.0242	0.5402
Schistosoma mansoni	hypothetical protein	0.0176	0.1352	0.1352
Brugia malayi	Nuclear hormone receptor-like 1	0.1253	1	1
Schistosoma mansoni	nuclear hormone receptor	0.0591	0.4687	0.4687
Schistosoma mansoni	aldehyde dehydrogenase	0.0063	0.0447	0.0447
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0216	0.1673	0.1673
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0018	0.0089	0.2
Brugia malayi	Nuclear hormone receptor E75	0.0591	0.4687	0.4687
Trypanosoma brucei	hypothetical protein, conserved	0.0037	0.0242	1
Brugia malayi	hypothetical protein	0.0662	0.5256	0.5256
Brugia malayi	hypothetical protein	0.0591	0.4687	0.4687
Onchocerca volvulus		0.0591	0.4687	0.4687
Echinococcus granulosus	ecdysone induced protein 78C	0.1253	1	1
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.0139	0.0139
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0025	0.0139	0.5766
Schistosoma mansoni	thyroid hormone receptor	0.1253	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.1253	1	1
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0591	0.4687	0.4687
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.1253	1	1
Loa Loa (eye worm)	hypothetical protein	0.0662	0.5256	0.5256
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0037	0.0242	0.0242
Brugia malayi	orphan nuclear receptor NR2E1	0.0591	0.4687	0.4687
Schistosoma mansoni	retinoic acid receptor RXR	0.1253	1	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0591	0.4687	0.4687
Plasmodium vivax	SET domain protein, putative	0.0031	0.019	0.7882
Echinococcus granulosus	histone lysine methyltransferase setb	0.0031	0.019	0.019
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.019	0.019
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.019	0.019
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0591	0.4687	0.4687
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0025	0.0139	0.3115
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0063	0.0447	0.241
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.1253	1	1
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0037	0.0242	0.1302
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0591	0.4687	0.4687
Schistosoma mansoni	nuclear hormone receptor	0.0591	0.4687	0.4687
Onchocerca volvulus		0.0591	0.4687	0.4687
Echinococcus multilocularis	FTZ F1 alpha	0.1253	1	1
Loa Loa (eye worm)	hypothetical protein	0.0662	0.5256	0.5256
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.0139	0.3115
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0025	0.0139	0.0751
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0242	0.0242
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0591	0.4687	0.4687
Mycobacterium ulcerans	beta-lactamase	0.0037	0.0242	0.5402
Brugia malayi	Steroid receptor seven-up type 2	0.1253	1	1
Mycobacterium leprae	Probable lipase LipE	0.0037	0.0242	1
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0025	0.0139	0.3115
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0242	0.1263
Loa Loa (eye worm)	hypothetical protein	0.0155	0.1185	0.1185
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.1253	1	1
Loa Loa (eye worm)	hypothetical protein	0.0591	0.4687	0.4687
Mycobacterium ulcerans	hypothetical protein	0.0025	0.0139	0.3115
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0081	0.0439
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0242	0.1302
Echinococcus multilocularis	muscleblind protein 1	0.0155	0.1185	0.1185
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0591	0.4687	0.4687
Brugia malayi	Nuclear hormone receptor E75	0.0591	0.4687	0.4687
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.0139	0.3115
Brugia malayi	Muscleblind-like protein	0.0155	0.1185	0.1185
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.1253	1	1
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0063	0.0447	1
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.1253	1	1
Loa Loa (eye worm)	hypothetical protein	0.1253	1	1
Loa Loa (eye worm)	beta-lactamase	0.0037	0.0242	0.0242
Mycobacterium tuberculosis	Probable hydrolase	0.0037	0.0242	0.1302
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0242	0.0242
Plasmodium vivax	acyl-CoA synthetase, putative	0.0018	0.0089	0.3703
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0031	0.019	0.4258
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.1253	1	1
Loa Loa (eye worm)	hypothetical protein	0.0591	0.4687	0.4687
Brugia malayi	beta-lactamase	0.0037	0.0242	0.0242
Schistosoma mansoni	aldehyde dehydrogenase	0.0063	0.0447	0.0447
Brugia malayi	nuclear receptor NHR-88	0.0591	0.4687	0.4687
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.1253	1	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.1253	1	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0242	0.0242
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0242	0.1263
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0242	0.0242
Echinococcus granulosus	beta LACTamase domain containing family member	0.0037	0.0242	0.0242
Schistosoma mansoni	hypothetical protein	0.0176	0.1352	0.1352
Loa Loa (eye worm)	hypothetical protein	0.0591	0.4687	0.4687
Brugia malayi	hypothetical protein	0.0591	0.4687	0.4687
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0242	0.0242
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0031	0.019	0.019
Onchocerca volvulus		0.0245	0.1913	0.1913
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0242	0.1263
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.1253	1	1
Mycobacterium ulcerans	lipase LipD	0.0037	0.0242	0.5402
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.1253	1	1
Loa Loa (eye worm)	nuclear hormone receptor	0.0591	0.4687	0.4687
Brugia malayi	nuclear receptor RXR	0.0591	0.4687	0.4687
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.1253	1	1
Brugia malayi	nuclear hormone receptor family member odr-7	0.0591	0.4687	0.4687
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0242	0.1263
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0591	0.4687	0.4687
Loa Loa (eye worm)	hypothetical protein	0.0591	0.4687	0.4687
Mycobacterium ulcerans	hypothetical protein	0.0037	0.0242	0.5402
Schistosoma mansoni	zinc finger protein	0.0591	0.4687	0.4687
Brugia malayi	nuclear hormone receptor	0.0591	0.4687	0.4687
Onchocerca volvulus	Bile acid receptor homolog	0.1253	1	1
Schistosoma mansoni	nuclear receptor	0.0591	0.4687	0.4687
Onchocerca volvulus	Protein ultraspiracle homolog	0.1253	1	1
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0591	0.4687	0.4687
Loa Loa (eye worm)	hypothetical protein	0.1253	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.1253	1	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0089	0.0089

Activities

Activity type	Activity value	Assay description	Source	Reference
%max (binding)	= 51.6 %	Agonist activity at Mus musculus (mouse) PPARgamma LBD expressed in african green monkey CV-1 cells co-expressing GAL4 assessed as beta-galactosidase activity at 1 uM after 24 hr by luciferase assay relative to rosiglitazone	ChEMBL.	No reference
Ki (binding)	> 10000 nM	Displacement of [125I]-SI-Ang-2 from AT1 receptor in Rattus norvegicus Sprague-Dawley (rat) liver membranes after 2 hr	LITERATURE.	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: CHEMBL2260186

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1839843