TDR Targets

Basic information

Technical information

TDR Targets ID: 900538
Name: 4-[4-(3-quinolin-8-yloxypropoxy)phenyl]butan- 2-one
MW: 349.423 | Formula: C22H23NO3
H donors: 0 H acceptors: 2 LogP: 4.1 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: CC(=O)CCc1ccc(cc1)OCCCOc1cccc2c1nccc2
InChi: 1S/C22H23NO3/c1-17(24)8-9-18-10-12-20(13-11-18)25-15-4-16-26-21-7-2-5-19-6-3-14-23-22(19)21/h2-3,5-7,10-14H,4,8-9,15-16H2,1H3
InChiKey: WOTGOZLZWXRNTP-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

4-[4-[3-(8-quinolyloxy)propoxy]phenyl]butan-2-one
MLS001163721
SMR000498707
ZINC04868421
4-{4-[3-(8-quinolinyloxy)propoxy]phenyl}-2-butanone

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	breast cancer 1, early onset	Starlite/ChEMBL	No references
Homo sapiens	lysine (K)-specific methyltransferase 2A	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Influenza A virus	Nonstructural protein 1	Starlite/ChEMBL	No references
Homo sapiens	polymerase (DNA directed) iota	Starlite/ChEMBL	No references
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references
Homo sapiens	multiple endocrine neoplasia I		No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	dnaJ subfamily B	Get druggable targets OG5_133913	All targets in OG5_133913
Schistosoma japonicum	Menin, putative	Get druggable targets OG5_133913	All targets in OG5_133913
Toxoplasma gondii	histone lysine methyltransferase SET1	Get druggable targets OG5_130642	All targets in OG5_130642
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma japonicum	ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative	Get druggable targets OG5_130642	All targets in OG5_130642
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	dnaJ subfamily B	Get druggable targets OG5_133913	All targets in OG5_133913
Schistosoma mansoni	mixed-lineage leukemia protein mll	Get druggable targets OG5_130642	All targets in OG5_130642
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	hypothetical protein	Get druggable targets OG5_133913	All targets in OG5_133913
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Neospora caninum	Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a	Get druggable targets OG5_130642	All targets in OG5_130642
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %
Mycobacterium tuberculosis	Hypothetical protein	Nonstructural protein 1	230 aa	202 aa	23.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	acetylcholinesterase	0.0023	0.0301	0.0301
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0034	0.0528	0.0772
Onchocerca volvulus		0.0023	0.0301	0.5608
Schistosoma mansoni	nuclear receptor nhr-48	0.0016	0.0155	0.0155
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0067	0.0098
Trichomonas vaginalis	NADPH cytochrome P450, putative	0.001	0.0032	0.0858
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0019	0.0215	0.0314
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0023	0.0302	0.0302
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0034	0.0528	0.0772
Plasmodium vivax	NADPH-cytochrome p450 reductase, putative	0.0027	0.037	1
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0011	0.0043	0.0043
Mycobacterium ulcerans	formate dehydrogenase H FdhF	0.0027	0.037	1
Brugia malayi	hypothetical protein	0.0018	0.0195	0.0285
Echinococcus multilocularis	FTZ F1 alpha	0.0034	0.0528	0.0528
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0019	0.0215	0.0314
Brugia malayi	ecdysone receptor	0.0016	0.0155	0.0227
Trypanosoma brucei	BRCA1 C Terminus (BRCT) domain containing protein, putative	0.0012	0.0067	0.1817
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0016	0.0155	0.0155
Schistosoma mansoni	retinoic acid receptor RXR	0.0034	0.0528	0.0528
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0034	0.0528	0.0528
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0016	0.0155	0.0155
Entamoeba histolytica	hypothetical protein	0.0012	0.0067	0.2223
Brugia malayi	topoisomerase	0.0012	0.0067	0.0098
Plasmodium vivax	replication factor C subunit 1, putative	0.0012	0.0067	0.1049
Trichomonas vaginalis	NADPH cytochrome P450, putative	0.001	0.0032	0.0858
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0034	0.0528	0.0772
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0034	0.0528	0.0772
Schistosoma mansoni	hypothetical protein	0.0019	0.0215	0.0215
Leishmania major	p450 reductase, putative	0.0027	0.037	1
Brugia malayi	Latrophilin receptor protein 2	0.0019	0.0215	0.0314
Echinococcus multilocularis	nibrin	0.0012	0.0067	0.0067
Trichomonas vaginalis	replication factor C large subunit, putative	0.0012	0.0067	0.1817
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.067	0.0981
Leishmania major	NADPH-cytochrome p450 reductase-like protein	0.0027	0.037	1
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0016	0.0155	0.0227
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0302	0.8176
Brugia malayi	orphan nuclear receptor NR2E1	0.0016	0.0155	0.0227
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0023	0.0302	0.0302
Echinococcus multilocularis	cpg binding protein	0.0037	0.0578	0.0578
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0023	0.0302	0.8176
Schistosoma mansoni	nuclear receptor	0.0016	0.0155	0.0155
Brugia malayi	FAD binding domain containing protein	0.0016	0.016	0.0235
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0301	0.0441
Brugia malayi	Nuclear hormone receptor E75	0.0016	0.0155	0.0227
Onchocerca volvulus		0.0016	0.0155	0.2887
Brugia malayi	Nuclear hormone receptor-like 1	0.0018	0.0195	0.0285
Schistosoma mansoni	chromosome transmission fidelity factor	0.0012	0.0067	0.0067
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.096	0.096
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0067	0.0098
Brugia malayi	Carboxylesterase family protein	0.0023	0.0301	0.0441
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0302	0.8176
Echinococcus multilocularis	GPCR, family 2	0.0019	0.0215	0.0215
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0034	0.0528	0.0528
Toxoplasma gondii	flavodoxin domain-containing protein	0.0013	0.0094	0.0242
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.0012	0.0067	0.1817
Schistosoma mansoni	BC026374 protein (S09 family)	0.0023	0.0301	0.0301
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.1063	0.1555
Schistosoma mansoni	topbp1	0.0012	0.0067	0.0067
Schistosoma mansoni	thyroid hormone receptor	0.0034	0.0528	0.0528
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0195	0.0285
Trypanosoma brucei	DNA polymerase IV, putative	0.0023	0.0302	0.8176
Echinococcus granulosus	ecdysone induced protein 78C	0.0034	0.0528	0.0528
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0023	0.0302	1
Brugia malayi	ATP dependent DNA ligase C terminal region family protein	0.0012	0.0067	0.0098
Trypanosoma brucei	unspecified product	0.0016	0.0153	0.4147
Brugia malayi	Nuclear hormone receptor E75	0.0016	0.0155	0.0227
Loa Loa (eye worm)	hypothetical protein	0.0138	0.2656	0.3887
Loa Loa (eye worm)	DR-78	0.0016	0.0155	0.0227
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0301	0.0441
Schistosoma mansoni	cpg binding protein	0.0037	0.0578	0.0578
Echinococcus granulosus	para nitrobenzyl esterase	0.0023	0.0301	0.0301
Brugia malayi	Nuclear hormone receptor-like 1	0.0018	0.0195	0.0285
Trypanosoma brucei	DNA polymerase kappa, putative	0.0016	0.0153	0.4147
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0034	0.0528	0.0528
Echinococcus multilocularis	ecdysone induced protein 78C	0.0034	0.0528	0.0528
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0034	0.0528	0.0772
Trichomonas vaginalis	conserved hypothetical protein	0.0012	0.0067	0.1817
Schistosoma mansoni	5-methyl tetrahydrofolate-homocysteine methyltransferase reductase	0.0016	0.016	0.016
Brugia malayi	hypothetical protein	0.0012	0.0067	0.0098
Loa Loa (eye worm)	flavodoxin family protein	0.001	0.0032	0.0046
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0302	0.8176
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.034	0.6833	1
Echinococcus multilocularis	acetylcholinesterase	0.0138	0.2656	0.2656
Echinococcus granulosus	cpg binding protein	0.0037	0.0578	0.0578
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0301	0.0441
Leishmania major	DNA polymerase kappa, putative	0.0023	0.0302	0.8176
Loa Loa (eye worm)	acetylcholinesterase 1	0.0138	0.2656	0.3887
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.0302	0.8176
Trichomonas vaginalis	NADPH fad oxidoreductase, putative	0.0024	0.0308	0.8317
Plasmodium falciparum	nitric oxide synthase, putative	0.0027	0.037	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0155	0.0227
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0034	0.0528	0.0528
Schistosoma mansoni	DNA polymerase eta	0.0023	0.0302	0.0302
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0155	0.0227
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0034	0.0528	0.0772
Entamoeba histolytica	Activator 1 140 kDa subunit, putative	0.0012	0.0067	0.2223
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0138	0.2656	0.2656
Onchocerca volvulus		0.0023	0.0301	0.5608
Onchocerca volvulus		0.0023	0.0301	0.5608
Giardia lamblia	Replication factor C, subunit 1	0.0012	0.0067	0.2185
Plasmodium vivax	flavodoxin domain containing protein	0.0024	0.0308	0.8159
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0016	0.0155	0.0155
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0302	0.8176
Brugia malayi	hypothetical protein	0.0016	0.0155	0.0227
Trichomonas vaginalis	DNA polymerase eta, putative	0.0023	0.0302	0.8176
Echinococcus multilocularis	nuclear receptor nhr 48	0.0016	0.0155	0.0155
Brugia malayi	nuclear receptor RXR	0.0018	0.0195	0.0285
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0019	0.0215	0.0215
Entamoeba histolytica	type A flavoprotein, putative	0.001	0.0032	0.105
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0034	0.0528	0.0772
Schistosoma mansoni	nuclear hormone receptor	0.0034	0.0528	0.0528
Onchocerca volvulus		0.0035	0.0537	1
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0034	0.0528	0.0528
Brugia malayi	ImpB/MucB/SamB family protein	0.0023	0.0302	0.0443
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.0012	0.0067	0.1817
Brugia malayi	hypothetical protein	0.0012	0.0067	0.0098
Echinococcus multilocularis	carboxylesterase 5A	0.0138	0.2656	0.2656
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0035	0.0537	0.0786
Loa Loa (eye worm)	nuclear hormone receptor	0.0016	0.0155	0.0227
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0155	0.0227
Trypanosoma cruzi	cytochrome P450 reductase, putative	0.0027	0.037	1
Loa Loa (eye worm)	steroid hormone receptor	0.0034	0.0528	0.0772
Brugia malayi	nuclear receptor NHR-88	0.0016	0.0155	0.0227
Schistosoma mansoni	coup transcription factor	0.0034	0.0528	0.0528
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0034	0.0528	0.0528
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0023	0.0302	1
Trypanosoma cruzi	cytochrome P450 reductase, putative	0.0027	0.037	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0155	0.0227
Echinococcus granulosus	dna polymerase kappa	0.0023	0.0302	0.0302
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0034	0.0528	0.0772
Echinococcus multilocularis	NADPH cytochrome P450 reductase	0.0027	0.037	0.037
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0023	0.0302	1
Entamoeba histolytica	type A flavoprotein, putative	0.001	0.0032	0.105
Brugia malayi	ecdysteroid receptor	0.0034	0.0528	0.0772
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0016	0.0155	0.0155
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0034	0.0528	0.0528
Trichomonas vaginalis	conserved hypothetical protein	0.0012	0.0067	0.1817
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0528	0.0772
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0018	0.0195	0.0195
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0034	0.0528	0.0772
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0011	0.0043	0.0043
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0034	0.0528	0.0772
Echinococcus granulosus	dna polymerase eta	0.0023	0.0302	0.0302
Giardia lamblia	Hypothetical protein	0.0024	0.0308	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.0302	0.8176
Trypanosoma brucei	DNA polymerase kappa, putative	0.0016	0.0153	0.4147
Trichomonas vaginalis	RNA polymerase II ctd phosphatase, putative	0.0012	0.0067	0.1817
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0528	0.0772
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0019	0.0215	0.0215
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0067	0.0098
Echinococcus granulosus	acetylcholinesterase	0.0138	0.2656	0.2656
Trichomonas vaginalis	RNA polymerase II ctd phosphatase, putative	0.0012	0.0067	0.1817
Brugia malayi	DKFZp564C0469 protein	0.0012	0.0067	0.0098
Schistosoma mansoni	gliotactin	0.0023	0.0301	0.0301
Onchocerca volvulus	Protein ultraspiracle homolog	0.0034	0.0528	0.9828
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0034	0.0528	0.0528
Schistosoma mansoni	hypothetical protein	0.0494	1	1
Brugia malayi	hypothetical protein	0.0023	0.0301	0.0441
Brugia malayi	Carboxylesterase family protein	0.0023	0.0301	0.0441
Loa Loa (eye worm)	hypothetical protein	0.0138	0.2656	0.3887
Echinococcus granulosus	NADPH cytochrome P450 reductase	0.0027	0.037	0.037
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0066	0.1176	1
Echinococcus granulosus	NADPH dependent diflavin oxidoreductase 1	0.0027	0.037	0.037
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0016	0.0155	0.0155
Brugia malayi	nuclear hormone receptor	0.0034	0.0528	0.0772
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0016	0.0155	0.0155
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0155	0.0227
Loa Loa (eye worm)	hypothetical protein	0.0041	0.067	0.0981
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0034	0.0528	0.0528
Trypanosoma brucei	unspecified product	0.0016	0.0153	0.4147
Mycobacterium leprae	PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+])	0.0012	0.0067	0.5
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0019	0.0215	0.0215
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.1063	0.1555
Echinococcus granulosus	nibrin	0.0012	0.0067	0.0067
Trypanosoma cruzi	Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative	0.001	0.0032	0.0858
Brugia malayi	Carboxylesterase family protein	0.0023	0.0301	0.0441
Trypanosoma brucei	DNA polymerase kappa, putative	0.0016	0.0153	0.4147
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0195	0.0285
Onchocerca volvulus		0.0023	0.0301	0.5608
Loa Loa (eye worm)	FAD binding domain-containing protein	0.0016	0.016	0.0235
Trypanosoma cruzi	hypothetical protein, conserved	0.0012	0.0067	0.1817
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0215	0.0314
Echinococcus multilocularis	dna polymerase kappa	0.0023	0.0302	0.0302
Echinococcus granulosus	thyroid hormone receptor alpha	0.0016	0.0155	0.0155
Onchocerca volvulus	Bile acid receptor homolog	0.0034	0.0528	0.9828
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0018	0.0195	0.0195
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0016	0.0155	0.0155
Echinococcus multilocularis	replication factor c subunit 1	0.0012	0.0067	0.0067
Echinococcus granulosus	FTZ F1 alpha	0.0034	0.0528	0.0528
Entamoeba histolytica	type A flavoprotein, putative	0.001	0.0032	0.105
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0034	0.0528	0.0528
Loa Loa (eye worm)	hypothetical protein	0.0027	0.037	0.0541
Trichomonas vaginalis	spcc417.12 protein, putative	0.0023	0.0301	0.8138
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.096	0.096
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0155	0.0227
Trypanosoma brucei	DNA polymerase IV, putative	0.0023	0.0302	0.8176
Trichomonas vaginalis	NADPH cytochrome P450, putative	0.001	0.0032	0.0858
Brugia malayi	nuclear hormone receptor family member odr-7	0.0016	0.0155	0.0227
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0023	0.0301	0.0301
Onchocerca volvulus		0.0016	0.0155	0.2887
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.096	0.096
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0023	0.0301	0.0301
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0528	0.0772
Trypanosoma brucei	NADPH-dependent diflavin oxidoreductase 1	0.0027	0.037	1
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0016	0.0155	0.0155
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0195	0.0285
Brugia malayi	nuclear receptor NHR-88	0.0034	0.0528	0.0772
Echinococcus granulosus	methionine synthase reductase	0.0016	0.016	0.016
Loa Loa (eye worm)	carboxylesterase	0.0023	0.0301	0.0441
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0016	0.0155	0.0227
Trypanosoma brucei	NADPH--cytochrome P450 reductase, putative	0.0027	0.037	1
Brugia malayi	Carboxylesterase family protein	0.0138	0.2656	0.3887
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0018	0.0195	0.0195
Brugia malayi	hypothetical protein	0.0016	0.0155	0.0227
Schistosoma mansoni	hypothetical protein	0.0019	0.0215	0.0215
Schistosoma mansoni	NADPH flavin oxidoreductase	0.0013	0.0098	0.0098
Echinococcus multilocularis	dnaJ subfamily B	0.0494	1	1
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0528	0.0772
Brugia malayi	Carboxylesterase family protein	0.0023	0.0301	0.0441
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0018	0.0195	0.0195
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0067	0.0098
Leishmania major	hypothetical protein, conserved	0.001	0.0032	0.0858
Schistosoma mansoni	nuclear hormone receptor	0.0016	0.0155	0.0155
Brugia malayi	Carboxylesterase family protein	0.0138	0.2656	0.3887
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0023	0.0301	0.0301
Trypanosoma cruzi	NADPH-dependent FMN/FAD containing oxidoreductase, putative	0.0027	0.037	1
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0034	0.0528	0.0772
Trypanosoma brucei	NADPH--cytochrome P450 reductase, putative	0.0027	0.037	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.096	0.1406
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0155	0.0227
Onchocerca volvulus		0.0012	0.0067	0.1252
Echinococcus granulosus	GPCR family 2	0.0019	0.0215	0.0215
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0302	0.8176
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0016	0.0155	0.2887
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0034	0.0528	0.0528
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0034	0.0528	0.0772
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0034	0.0528	0.9828
Echinococcus granulosus	nuclear receptor nhr 48	0.0016	0.0155	0.0155
Echinococcus granulosus	BC026374 protein S09 family	0.0023	0.0301	0.0301
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0301	0.0441
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0155	0.0227
Mycobacterium ulcerans	DNA polymerase IV	0.0023	0.0302	0.7771
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0302	0.8176
Schistosoma mansoni	RAR-like nuclear receptor	0.0034	0.0528	0.0528
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.096	0.096
Echinococcus multilocularis	acetylcholinesterase	0.0138	0.2656	0.2656
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0302	0.8176
Loa Loa (eye worm)	hypothetical protein	0.006	0.1063	0.1555
Mycobacterium ulcerans	DNA polymerase IV	0.0023	0.0302	0.7771
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.034	0.6833	0.6833
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0034	0.0528	0.0528
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0302	0.8176
Loa Loa (eye worm)	FAD binding domain-containing protein	0.0027	0.037	0.0541
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0302	0.8176
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0034	0.0528	0.0772
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.0302	0.8176
Loa Loa (eye worm)	carboxylesterase	0.0138	0.2656	0.3887
Chlamydia trachomatis	sulfite reductase	0.0016	0.016	1
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0023	0.0302	0.8176
Entamoeba histolytica	type A flavoprotein, putative	0.001	0.0032	0.105
Schistosoma mansoni	zinc finger protein	0.0016	0.0155	0.0155
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0302	0.0443
Echinococcus multilocularis	dna polymerase eta	0.0023	0.0302	0.0302
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0155	0.0227
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0023	0.0301	0.8138
Leishmania major	DNA polymerase eta, putative	0.0023	0.0302	0.8176
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0034	0.0528	0.0528
Giardia lamblia	DINP protein human, muc B family	0.0023	0.0302	0.9831
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0301	0.0441
Brugia malayi	Pax transcription activation domain interacting protein	0.0012	0.0067	0.0098
Schistosoma mansoni	diflavin oxidoreductase	0.0013	0.0094	0.0094
Brugia malayi	FAD binding domain containing protein	0.0027	0.037	0.0541
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0023	0.0301	0.0301
Schistosoma mansoni	protein tyrosine phosphatase non-receptor type nt1	0.034	0.6833	0.6833
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0034	0.0528	0.0772
Trichomonas vaginalis	conserved hypothetical protein	0.0012	0.0067	0.1817
Brugia malayi	Steroid receptor seven-up type 2	0.0034	0.0528	0.0772
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0016	0.0155	0.0155
Schistosoma mansoni	DNA ligase IV	0.0012	0.0067	0.0067
Schistosoma mansoni	hypothetical protein	0.0041	0.067	0.067
Trypanosoma cruzi	p450 reductase, putative	0.0027	0.037	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.096	0.096
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0034	0.0528	0.0772
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0023	0.0301	0.0301
Schistosoma mansoni	hypothetical protein	0.0019	0.0215	0.0215
Schistosoma mansoni	topbp1	0.0012	0.0067	0.0067
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.096	0.096
Schistosoma mansoni	nuclear hormone receptor	0.0016	0.0155	0.0155
Brugia malayi	flavodoxin family protein	0.0027	0.037	0.0541
Trichomonas vaginalis	sulfite reductase, putative	0.0027	0.037	1
Echinococcus multilocularis	NADPH dependent diflavin oxidoreductase 1	0.0027	0.037	0.037
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0016	0.0155	0.0155
Brugia malayi	steroid hormone receptor	0.0034	0.0528	0.0772
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0528	0.0772
Brugia malayi	nuclear receptor RXR	0.0016	0.0155	0.0227
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0034	0.0528	0.0772
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0155	0.0227
Brugia malayi	Nuclear hormone receptor-like 1	0.0034	0.0528	0.0772
Brugia malayi	tailless protein	0.0016	0.0155	0.0227
Trichomonas vaginalis	conserved hypothetical protein	0.0012	0.0067	0.1817
Toxoplasma gondii	flavodoxin domain-containing protein	0.0013	0.0094	0.0242
Entamoeba histolytica	type A flavoprotein, putative	0.001	0.0032	0.105
Schistosoma mansoni	cytochrome P450 reductase	0.0027	0.037	0.037
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.096	0.1406
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0016	0.0155	0.2887
Onchocerca volvulus		0.0034	0.0528	0.9828
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0016	0.0155	0.0227
Brugia malayi	CXXC zinc finger family protein	0.0035	0.0537	0.0786
Loa Loa (eye worm)	histone methyltransferase	0.0011	0.0043	0.0063
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0034	0.0528	0.0528
Brugia malayi	nuclear hormone receptor	0.0016	0.0155	0.0227
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0528	0.0772
Trypanosoma brucei	DNA polymerase IV, putative	0.0023	0.0302	0.8176
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.034	0.6833	1
Schistosoma mansoni	hypothetical protein	0.0019	0.0215	0.0215
Brugia malayi	F/Y-rich N-terminus family protein	0.0011	0.0041	0.0059
Schistosoma mansoni	nuclear receptor	0.0016	0.0155	0.0155
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0528	0.0772
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0034	0.0528	0.0528
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0155	0.0227
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.096	0.096
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0023	0.0302	0.0302
Schistosoma mansoni	cpg binding protein	0.0037	0.0578	0.0578
Leishmania major	cytochrome P450 reductase, putative	0.0024	0.0308	0.8317
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0195	0.0285
Plasmodium falciparum	replication factor C subunit 1, putative	0.0012	0.0067	0.1049
Trypanosoma cruzi	DNA polymerase eta, putative	0.0023	0.0302	0.8176
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0018	0.0195	0.0285
Echinococcus multilocularis	neuroligin	0.0023	0.0301	0.0301
Wolbachia endosymbiont of Brugia malayi	NAD-dependent DNA ligase, Lig	0.0012	0.0067	0.5
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0034	0.0528	0.0772
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0034	0.0528	0.0528
Trypanosoma brucei	S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative	0.001	0.0032	0.0858
Giardia lamblia	Nitric oxide synthase, inducible	0.0024	0.0308	1
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0034	0.0528	0.0528
Loa Loa (eye worm)	carboxylesterase	0.0023	0.0301	0.0441
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0155	0.0227
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0528	0.0772
Trypanosoma brucei	unspecified product	0.0023	0.0302	0.8176
Brugia malayi	nuclear receptor NHR-67	0.0016	0.0155	0.0227
Mycobacterium ulcerans	carboxylesterase, LipT	0.0023	0.0301	0.7724
Brugia malayi	flavodoxin family protein	0.001	0.0032	0.0046
Brugia malayi	hypothetical protein	0.0018	0.0195	0.0285
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0034	0.0528	0.0528
Echinococcus multilocularis	para nitrobenzyl esterase	0.0023	0.0301	0.0301
Echinococcus granulosus	acetylcholinesterase	0.0138	0.2656	0.2656
Trypanosoma brucei	NADPH-cytochrome p450 reductase, putative	0.0027	0.037	1
Onchocerca volvulus		0.0023	0.0301	0.5608
Trichomonas vaginalis	conserved hypothetical protein	0.0012	0.0067	0.1817
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0019	0.0215	0.0215
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0067	0.0098
Brugia malayi	photoreceptor-specific nuclear receptor	0.0034	0.0528	0.0772
Echinococcus multilocularis	methionine synthase reductase	0.0016	0.016	0.016
Trichomonas vaginalis	NADPH cytochrome P450, putative	0.001	0.0032	0.0858
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0023	0.0301	0.0301
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0301	0.0441
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0074	0.1338	0.1338
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.034	0.6833	0.6833
Trypanosoma cruzi	Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative	0.001	0.0032	0.0858
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0016	0.0155	0.0227
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0034	0.0528	0.0528
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0034	0.0528	0.0772
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0023	0.0302	0.0302
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0301	0.0441
Brugia malayi	conserved hypotetical protein	0.0016	0.0155	0.0227
Trypanosoma cruzi	BRCA1 C Terminus (BRCT) domain containing protein, putative	0.0012	0.0067	0.1817
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.0302	0.8176
Echinococcus granulosus	neuroligin	0.0023	0.0301	0.0301
Schistosoma mansoni	thyroid hormone receptor	0.0034	0.0528	0.0528
Trypanosoma cruzi	FHA domain containing protein, putative	0.0012	0.0067	0.1817
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0195	0.0285
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0302	0.8176
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0034	0.0528	0.0528
Echinococcus granulosus	carboxylesterase 5A	0.0138	0.2656	0.2656
Trypanosoma cruzi	NADPH--cytochrome P450 reductase, putative	0.001	0.0032	0.0858
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0034	0.0528	0.0528
Brugia malayi	ImpB/MucB/SamB family protein	0.0023	0.0302	0.0443
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.1063	0.1555
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0016	0.0155	0.0155
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0067	0.0098
Echinococcus granulosus	replication factor c subunit 1	0.0012	0.0067	0.0067
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0023	0.0302	0.0443
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0155	0.0227
Treponema pallidum	DNA ligase (lig)	0.0012	0.0067	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0034	0.0528	0.0772
Schistosoma mansoni	cpg binding protein	0.0035	0.0537	0.0537
Trypanosoma brucei	DNA polymerase eta, putative	0.0023	0.0302	0.8176
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0034	0.0528	0.0772
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0023	0.0301	0.0301
Trypanosoma cruzi	hypothetical protein, conserved	0.0012	0.0067	0.1817

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 11.2202 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	11.2202 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference
Potency (functional)	11.2202 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 12.5893 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	12.5893 uM	PubChem BioAssay. qHTS Assay to Identify Small Molecule Activators of BRCA1 Expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	12.5893 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Agonists. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	16.5113 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	18.526 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	21.3313 uM	PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411]	ChEMBL.	No reference
Potency (functional)	= 22.3872 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	25.929 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference
Potency (functional)	= 35.4813 um	PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	39.8107 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL1338895
Search by Saint Jude

Bibliographic References

No literature references available for this target.

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Detailed information for compound 900538