TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 668.737 | Formula: C33H44N6O9
H donors: 9 H acceptors: 9 LogP: 0.92 Rotable bonds: 18
Rule of 5 violations (Lipinski): 3
SMILES: O[C@@H]1CC[C@@H]2[C@H](C1)N([C@@H](C2)C(=O)N[C@H](C(=O)O)CCCNC(=N)N)C(=O)[C@@H](Cc1ccc(cc1)O)NC(=O)[C@@H](Cc1ccc(cc1)O)O
InChi: 1S/C33H44N6O9/c34-33(35)36-13-1-2-24(32(47)48)37-29(44)27-16-20-7-12-23(42)17-26(20)39(27)31(46)25(14-18-3-8-21(40)9-4-18)38-30(45)28(43)15-19-5-10-22(41)11-6-19/h3-6,8-11,20,23-28,40-43H,1-2,7,12-17H2,(H,37,44)(H,38,45)(H,47,48)(H4,34,35,36)/t20-,23+,24-,25+,26-,27-,28+/m0/s1
InChiKey: ZWSQJIRFQBKTDD-GLDPKNIUSA-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
Homo sapiens	protease, serine, 3	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	Get druggable targets OG5_126639	All targets in OG5_126639
Onchocerca volvulus		Get druggable targets OG5_126639	All targets in OG5_126639
Schistosoma japonicum	ko:K09639 transmembrane protease, serine 8, putative	Get druggable targets OG5_126639	All targets in OG5_126639
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126639	All targets in OG5_126639
Brugia malayi	Trypsin family protein	Get druggable targets OG5_126639	All targets in OG5_126639
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126639	All targets in OG5_126639
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	Get druggable targets OG5_126639	All targets in OG5_126639
Onchocerca volvulus		Get druggable targets OG5_126639	All targets in OG5_126639
Schistosoma japonicum	ko:K09639 transmembrane protease, serine 8, putative	Get druggable targets OG5_126639	All targets in OG5_126639

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma mansoni	cercarial elastase (S01 family)	protease, serine, 3	261 aa	234 aa	25.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0033	0.048	0.048
Echinococcus granulosus	neuropeptide s receptor	0.0478	0.8791	0.8791
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0543	1	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0543	1	1
Echinococcus granulosus	transmembrane protease serine 3	0.0007	0.0001	0.0001
Brugia malayi	Cytochrome P450 family protein	0.0027	0.0367	0.0367
Schistosoma mansoni	cercarial elastase (S01 family)	0.0007	0.0001	0.0001
Onchocerca volvulus		0.0106	0.1849	0.1848
Brugia malayi	hypothetical protein	0.0287	0.5218	0.5217
Schistosoma mansoni	chromodomain helicase DNA binding protein	0.0012	0.0082	0.0082
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0016	0.0168	1
Schistosoma mansoni	chromodomain helicase DNA binding protein	0.0013	0.0114	0.0114
Echinococcus granulosus	voltage gated potassium channel	0.0011	0.0069	0.0069
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0543	1	1
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0256	0.4644	0.4644
Onchocerca volvulus		0.0028	0.0383	0.0382
Toxoplasma gondii	LsmAD domain-containing protein	0.0026	0.0349	0.321
Brugia malayi	photoreceptor-specific nuclear receptor	0.0543	1	1
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0008	0.0003	0.0003
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0543	1	1
Brugia malayi	Protein cec-1.	0.0012	0.0082	0.0082
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.0008	0.0003	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0069	0.0068
Echinococcus multilocularis	Ankyrin repeat domain containing protein	0.0093	0.1598	0.1598
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0287	0.5218	0.5218
Brugia malayi	SET domain containing protein	0.0012	0.0095	0.0094
Schistosoma mansoni	cercarial elastase (S01 family)	0.0007	0.0001	0.0001
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0063	0.1038	0.1038
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0373	0.0373
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0256	0.4644	0.4644
Brugia malayi	steroid hormone receptor	0.0543	1	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0035	0.052	0.0519
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0256	0.4644	0.4644
Loa Loa (eye worm)	hypothetical protein	0.0256	0.4644	0.4644
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0007	0.0001	0.0001
Schistosoma mansoni	cercarial elastase (S01 family)	0.0007	0.0001	0.0001
Brugia malayi	Latrophilin receptor protein 2	0.0016	0.0167	0.0166
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0543	1	1
Schistosoma mansoni	nuclear receptor nhr-48	0.0256	0.4644	0.4644
Schistosoma mansoni	multiple ankyrin repeats single kh domain protein	0.0093	0.1598	0.1598
Schistosoma mansoni	hypothetical protein	0.0012	0.0081	0.0081
Echinococcus granulosus	chromobox protein 1	0.0012	0.0082	0.0082
Schistosoma mansoni	lamin	0.0028	0.0383	0.0383
Echinococcus multilocularis	ecdysone induced protein 78C	0.0543	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0543	1	1
Echinococcus multilocularis	Mastin	0.0007	0.0001	0.0001
Echinococcus multilocularis	chromobox protein 1	0.0012	0.0082	0.0082
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0543	1	1
Schistosoma mansoni	lamin	0.0028	0.0383	0.0383
Brugia malayi	cytoplasmic intermediate filament protein	0.0015	0.0141	0.014
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0114	0.1988	0.1988
Echinococcus granulosus	Chromo domain	0.0012	0.0082	0.0082
Brugia malayi	hypothetical protein	0.0287	0.5218	0.5217
Schistosoma mansoni	zinc finger protein	0.0256	0.4644	0.4644
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0256	0.4644	0.4644
Trichomonas vaginalis	conserved hypothetical protein	0.0012	0.0082	0.1511
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0543	1	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0019	0.0208	0.3907
Echinococcus multilocularis	nuclear receptor nhr 48	0.0256	0.4644	0.4644
Schistosoma mansoni	thyroid hormone receptor	0.0543	1	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0016	0.0167	0.0167
Echinococcus multilocularis	cyclic nucleotide gated cation channel	0.0008	0.0003	0.0003
Loa Loa (eye worm)	helicase	0.0012	0.0082	0.0082
Onchocerca volvulus	Protein ultraspiracle homolog	0.0543	1	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0052	0.0825	0.0824
Echinococcus multilocularis	Chromobox protein 3	0.0012	0.0082	0.0082
Echinococcus granulosus	Mastin	0.0007	0.0001	0.0001
Schistosoma mansoni	multiple ankyrin repeats single kh domain protein	0.0093	0.1598	0.1598
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0015	0.0141	0.014
Brugia malayi	hypothetical protein	0.0256	0.4644	0.4644
Schistosoma mansoni	cercarial elastase (S01 family)	0.0007	0.0001	0.0001
Echinococcus multilocularis	dnaJ subfamily B	0.0423	0.776	0.776
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0038	0.0574	0.0574
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0013	0.0114	0.0114
Echinococcus multilocularis	chromobox protein 2	0.0012	0.0082	0.0082
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0543	1	1
Echinococcus granulosus	chromodomain helicase DNA binding protein 1	0.0012	0.0082	0.0082
Loa Loa (eye worm)	cyclic-nucleotide gated cation channel	0.0008	0.0003	0.0002
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0082	0.0082
Loa Loa (eye worm)	hypothetical protein	0.0256	0.4644	0.4644
Echinococcus multilocularis	transmembrane protease serine 3	0.0007	0.0001	0.0001
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0543	1	1
Plasmodium vivax	ataxin-2 like protein, putative	0.0026	0.0349	1
Loa Loa (eye worm)	hypothetical protein	0.0543	1	1
Loa Loa (eye worm)	CYP4Cod1	0.0016	0.0168	0.0167
Trichomonas vaginalis	Heterochromatin protein, putative	0.0012	0.0082	0.1511
Echinococcus multilocularis	subfamily S1A unassigned peptidase (S01 family)	0.0007	0.0001	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0287	0.5218	0.5217
Schistosoma mansoni	nuclear hormone receptor	0.0256	0.4644	0.4644
Loa Loa (eye worm)	CHromoDomain protein family member	0.0013	0.0114	0.0113
Echinococcus granulosus	glycoprotein Antigen 5	0.0007	0.0001	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0543	1	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0543	1	1
Brugia malayi	CHD4 protein	0.0013	0.0114	0.0113
Loa Loa (eye worm)	hypothetical protein	0.0287	0.5218	0.5217
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0543	1	1
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0038	0.0574	0.0574
Brugia malayi	Cyclic-nucleotide gated cation channel	0.0008	0.0003	0.0002
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0052	0.0825	0.0824
Echinococcus granulosus	chromobox protein 1	0.0012	0.0082	0.0082
Schistosoma mansoni	nuclear hormone receptor	0.0543	1	1
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0256	0.4644	0.4644
Schistosoma mansoni	voltage-gated potassium channel	0.0042	0.064	0.064
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0007	0.0001	0.0001
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0256	0.4644	0.4644
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0036	0.0528	1
Brugia malayi	Heterochromatin protein 1	0.0012	0.0082	0.0082
Echinococcus granulosus	Ankyrin repeat domain containing protein	0.0093	0.1598	0.1598
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0038	0.0574	0.0574
Echinococcus multilocularis	glycoprotein Antigen 5	0.0007	0.0001	0.0001
Schistosoma mansoni	cpg binding protein	0.0031	0.0448	0.0448
Schistosoma mansoni	voltage-gated potassium channel	0.0011	0.0069	0.0069
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0543	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0012	0.0082	0.1511
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0256	0.4644	0.4644
Loa Loa (eye worm)	hypothetical protein	0.0256	0.4644	0.4644
Brugia malayi	conserved hypotetical protein	0.0256	0.4644	0.4644
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0012	0.0095	0.0095
Loa Loa (eye worm)	hypothetical protein	0.0287	0.5218	0.5217
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0012	0.0081	0.0081
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0543	1	1
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0287	0.5218	0.5218
Loa Loa (eye worm)	hypothetical protein	0.0287	0.5218	0.5217
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0012	0.0081	0.0081
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0082	0.0082
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.0032	0.0031
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0543	1	1
Schistosoma mansoni	coup transcription factor	0.0543	1	1
Loa Loa (eye worm)	hypothetical protein	0.0256	0.4644	0.4644
Trypanosoma brucei	PAB1-binding protein , putative	0.0026	0.0349	1
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0256	0.4644	0.4644
Schistosoma mansoni	hypothetical protein	0.0016	0.0167	0.0167
Brugia malayi	hypothetical protein	0.0105	0.1818	0.1817
Brugia malayi	Trypsin family protein	0.0114	0.1988	0.1987
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0114	0.0113
Brugia malayi	chromobox protein homolog 3	0.0012	0.0082	0.0082
Onchocerca volvulus		0.0256	0.4644	0.4644
Brugia malayi	Nuclear hormone receptor-like 1	0.0287	0.5218	0.5217
Brugia malayi	nuclear hormone receptor family member odr-7	0.0256	0.4644	0.4644
Schistosoma mansoni	chromobox protein-related (chromobox 1) (heterochromatin 1)	0.0012	0.0082	0.0082
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0019	0.0208	0.3907
Echinococcus multilocularis	neuropeptide receptor A26	0.0478	0.8791	0.8791
Loa Loa (eye worm)	hypothetical protein	0.0543	1	1
Schistosoma mansoni	intermediate filament proteins	0.0028	0.0383	0.0383
Brugia malayi	hypothetical protein	0.0256	0.4644	0.4644
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0543	1	1
Echinococcus multilocularis	musashi	0.0028	0.0383	0.0383
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0543	1	1
Trichomonas vaginalis	hypothetical protein	0.0012	0.0082	0.1511
Schistosoma mansoni	cpg binding protein	0.003	0.0417	0.0417
Entamoeba histolytica	chromodomain-helicase-DNA-binding protein, putative	0.0012	0.0082	0.5
Schistosoma mansoni	hypothetical protein	0.0007	0.0001	0.0001
Onchocerca volvulus		0.0105	0.1818	0.1817
Loa Loa (eye worm)	intermediate filament protein	0.0028	0.0383	0.0382
Schistosoma mansoni	hypothetical protein	0.0423	0.776	0.776
Echinococcus granulosus	ecdysone induced protein 78C	0.0543	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0543	1	1
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0543	1	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0019	0.0208	0.3907
Brugia malayi	M-phase phosphoprotein, mpp8	0.0105	0.1818	0.1817
Schistosoma mansoni	cercarial elastase (S01 family)	0.0007	0.0001	0.0001
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0543	1	1
Echinococcus multilocularis	GPCR, family 2	0.0016	0.0167	0.0167
Echinococcus granulosus	Chromobox protein 3	0.0012	0.0082	0.0082
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0082	0.0082
Schistosoma mansoni	hypothetical protein	0.0016	0.0167	0.0167
Trichomonas vaginalis	conserved hypothetical protein	0.0015	0.015	0.2797
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0543	1	1
Echinococcus granulosus	lamin dm0	0.0028	0.0383	0.0383
Loa Loa (eye worm)	hypothetical protein	0.0256	0.4644	0.4644
Echinococcus multilocularis	hyperpolarization activated cyclic	0.0008	0.0003	0.0003
Brugia malayi	nuclear hormone receptor	0.0256	0.4644	0.4644
Trichomonas vaginalis	chromobox protein, putative	0.0012	0.0082	0.1511
Brugia malayi	Cytochrome P450 family protein	0.0016	0.0168	0.0167
Brugia malayi	Nuclear hormone receptor E75	0.0256	0.4644	0.4644
Entamoeba histolytica	hypothetical protein	0.0012	0.0082	0.5
Echinococcus multilocularis	cpg binding protein	0.0031	0.0448	0.0448
Brugia malayi	ecdysone receptor	0.0256	0.4644	0.4644
Schistosoma mansoni	chromobox protein	0.0012	0.0082	0.0082
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0082	0.0082
Schistosoma mansoni	voltage-gated potassium channel	0.0011	0.0069	0.0069
Loa Loa (eye worm)	cytochrome P450 family protein	0.0016	0.0168	0.0167
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0349	0.0348
Echinococcus multilocularis	enteropeptidase	0.0007	0.0001	0.0001
Trichomonas vaginalis	chromobox protein, putative	0.0012	0.0082	0.1511
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0543	1	1
Echinococcus granulosus	intermediate filament protein	0.0028	0.0383	0.0383
Loa Loa (eye worm)	hypothetical protein	0.0256	0.4644	0.4644
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0256	0.4644	0.4644
Schistosoma mansoni	thyroid hormone receptor	0.0543	1	1
Loa Loa (eye worm)	hypothetical protein	0.0256	0.4644	0.4644
Trichomonas vaginalis	chromobox protein, putative	0.0012	0.0082	0.1511
Echinococcus multilocularis	potassium:sodium hyperpolarization activated	0.0008	0.0003	0.0003
Onchocerca volvulus	Bile acid receptor homolog	0.0543	1	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0007	0.0001	0.0001
Echinococcus granulosus	neuropeptide receptor A26	0.0478	0.8791	0.8791
Loa Loa (eye worm)	hypothetical protein	0.0256	0.4644	0.4644
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0825	0.0824
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0012	0.0082	0.1511
Brugia malayi	Nuclear hormone receptor E75	0.0256	0.4644	0.4644
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0015	0.0141	0.2622
Echinococcus granulosus	FTZ F1 alpha	0.0543	1	1
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0038	0.0574	0.0574
Echinococcus granulosus	thyroid hormone receptor alpha	0.0256	0.4644	0.4644
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0036	0.0528	1
Echinococcus granulosus	enteropeptidase	0.0007	0.0001	0.0001
Schistosoma mansoni	retinoic acid receptor RXR	0.0543	1	1
Echinococcus granulosus	cpg binding protein	0.0031	0.0448	0.0448
Echinococcus multilocularis	chromodomain helicase DNA binding protein 4	0.0013	0.0114	0.0114
Entamoeba histolytica	hypothetical protein	0.0012	0.0082	0.5
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0019	0.0208	0.3907
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0013	0.0114	0.0114
Trichomonas vaginalis	chromobox protein, putative	0.0012	0.0082	0.1511
Trichomonas vaginalis	conserved hypothetical protein	0.0012	0.0082	0.1511
Schistosoma mansoni	RAR-like nuclear receptor	0.0543	1	1
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0543	1	1
Schistosoma mansoni	hypothetical protein	0.0012	0.0082	0.0082
Loa Loa (eye worm)	hypothetical protein	0.0543	1	1
Echinococcus multilocularis	lamin	0.0028	0.0383	0.0383
Schistosoma mansoni	nuclear receptor	0.0256	0.4644	0.4644
Brugia malayi	Steroid receptor seven-up type 2	0.0543	1	1
Brugia malayi	nuclear receptor RXR	0.0256	0.4644	0.4644
Trichomonas vaginalis	conserved hypothetical protein	0.0012	0.0082	0.1511
Echinococcus granulosus	nuclear receptor nhr 48	0.0256	0.4644	0.4644
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0349	1
Trichomonas vaginalis	conserved hypothetical protein	0.0012	0.0082	0.1511
Brugia malayi	Type III restriction enzyme, res subunit family protein	0.0012	0.0082	0.0082
Loa Loa (eye worm)	hypothetical protein	0.0114	0.1988	0.1987
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0104	0.0103
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0019	0.0208	0.3907
Trichomonas vaginalis	chromobox protein, putative	0.0012	0.0082	0.1511
Schistosoma mansoni	cercarial elastase (S01 family)	0.0007	0.0001	0.0001
Echinococcus granulosus	potassium:sodium hyperpolarization activated	0.0008	0.0003	0.0003
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0016	0.0167	0.0166
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0543	1	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0007	0.0001	0.0001
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0011	0.0069	0.0069
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0007	0.0001	0.0001
Schistosoma mansoni	chromobox protein	0.0012	0.0082	0.0082
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0034	0.0034
Brugia malayi	Nuclear hormone receptor-like 1	0.0287	0.5218	0.5217
Schistosoma mansoni	hypothetical protein	0.0016	0.0167	0.0167
Brugia malayi	Nuclear hormone receptor-like 1	0.0543	1	1
Echinococcus multilocularis	hyperpolarization activated cyclic	0.0008	0.0003	0.0003
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0543	1	1
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0007	0.0001	0.0001
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0543	1	1
Schistosoma mansoni	cpg binding protein	0.0031	0.0448	0.0448
Brugia malayi	orphan nuclear receptor NR2E1	0.0256	0.4644	0.4644
Brugia malayi	intermediate filament protein	0.0028	0.0383	0.0382
Onchocerca volvulus		0.0028	0.0383	0.0382
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0287	0.5218	0.5218
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0543	1	1
Leishmania major	hypothetical protein, conserved	0.0026	0.0349	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0543	1	1
Schistosoma mansoni	voltage-gated potassium channel	0.0008	0.0003	0.0003
Loa Loa (eye worm)	cyclic-nucleotide gated cation channel	0.0008	0.0003	0.0002
Schistosoma mansoni	hypothetical protein	0.0007	0.0001	0.0001
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0543	1	1
Brugia malayi	nuclear hormone receptor	0.0543	1	1
Schistosoma mansoni	voltage-gated potassium channel	0.0042	0.064	0.064
Schistosoma mansoni	nuclear hormone receptor	0.0256	0.4644	0.4644
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0287	0.5218	0.5217
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0082	0.0082
Echinococcus multilocularis	chromodomain helicase DNA binding protein 1	0.0012	0.0082	0.0082
Brugia malayi	nuclear receptor RXR	0.0287	0.5218	0.5217
Echinococcus multilocularis	cyclic nucleotide gated cation channel alpha 3	0.0008	0.0003	0.0003
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0256	0.4644	0.4644
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0016	0.0167	0.0166
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0256	0.4644	0.4644
Loa Loa (eye worm)	heterochromatin protein 1	0.0012	0.0082	0.0082
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.0349	1
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0256	0.4644	0.4644
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0256	0.4644	0.4644
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0349	1
Loa Loa (eye worm)	hypothetical protein	0.0256	0.4644	0.4644
Echinococcus granulosus	Peptidase S1 S6 chymotrypsin Hap	0.0007	0.0001	0.0001
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0256	0.4644	0.4644
Echinococcus multilocularis	chromobox protein 1	0.0012	0.0082	0.0082
Brugia malayi	CXXC zinc finger family protein	0.003	0.0417	0.0416
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0012	0.0082	0.1511
Schistosoma mansoni	hypothetical protein	0.0035	0.052	0.052
Entamoeba histolytica	chromodomain-helicase-DNA-binding protein, putative	0.0012	0.0082	0.5
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0028	0.0383	0.0382
Entamoeba histolytica	chromodomain-helicase-DNA-binding protein, putative	0.0012	0.0082	0.5
Brugia malayi	nuclear receptor NHR-88	0.0256	0.4644	0.4644
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0011	0.0069	0.0069
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0543	1	1
Loa Loa (eye worm)	hypothetical protein	0.0114	0.1988	0.1987
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0114	0.1988	0.1988
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0012	0.0082	0.0082
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0543	1	1
Loa Loa (eye worm)	hypothetical protein	0.0543	1	1
Brugia malayi	Associated with TFs and helicases family protein	0.0012	0.0082	0.0082
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0012	0.0082	0.0082
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0016	0.0167	0.0167
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0019	0.0208	0.3907
Echinococcus granulosus	subfamily S1A unassigned peptidase S01 family	0.0007	0.0001	0.0001
Schistosoma mansoni	nuclear receptor	0.0256	0.4644	0.4644
Echinococcus granulosus	dnaJ subfamily B	0.0423	0.776	0.776
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0543	1	1
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0019	0.0208	0.3907
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0543	1	1
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0003	0.0002
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0008	0.0003	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0105	0.1818	0.1817
Trichomonas vaginalis	conserved hypothetical protein	0.0012	0.0082	0.1511
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0016	0.0167	0.0167
Echinococcus multilocularis	FTZ F1 alpha	0.0543	1	1
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0256	0.4644	0.4644
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0008	0.0003	0.0003
Brugia malayi	nuclear receptor NHR-88	0.0543	1	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0082	0.0082
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0543	1	1
Onchocerca volvulus		0.0012	0.0095	0.0094
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0052	0.0825	0.0824
Schistosoma mansoni	cercarial elastase (S01 family)	0.0007	0.0001	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0543	1	1
Brugia malayi	tailless protein	0.0256	0.4644	0.4644
Brugia malayi	nuclear receptor NHR-67	0.0256	0.4644	0.4644
Echinococcus granulosus	chromodomain helicase DNA binding protein 4	0.0013	0.0114	0.0114
Onchocerca volvulus		0.0543	1	1
Schistosoma mansoni	chromobox protein	0.0012	0.0082	0.0082
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.0034	0.0033
Schistosoma mansoni	cercarial elastase (S01 family)	0.0007	0.0001	0.0001
Brugia malayi	hypothetical protein	0.0026	0.0349	0.0348
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0543	1	1
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0543	1	1
Loa Loa (eye worm)	hypothetical protein	0.0543	1	1
Loa Loa (eye worm)	hypothetical protein	0.0105	0.1818	0.1817
Echinococcus multilocularis	lamin dm0	0.0028	0.0383	0.0383
Loa Loa (eye worm)	hypothetical protein	0.0543	1	1
Echinococcus granulosus	lamin	0.0028	0.0383	0.0383
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0543	1	1
Onchocerca volvulus		0.003	0.0417	0.0416
Echinococcus granulosus	hyperpolarization activated cyclic	0.0008	0.0003	0.0003
Loa Loa (eye worm)	CXXC zinc finger family protein	0.003	0.0417	0.0416
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0056	0.0913	1
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0104	0.0103
Brugia malayi	Valyl-tRNA synthetase	0.0012	0.0082	0.0082
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0015	0.015	0.2797
Echinococcus multilocularis	voltage gated potassium channel	0.0011	0.0069	0.0069
Echinococcus multilocularis	Peptidase S1 S6, chymotrypsin Hap	0.0007	0.0001	0.0001
Brugia malayi	Cytochrome P450 family protein	0.0016	0.0168	0.0167
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0008	0.0003	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0287	0.5218	0.5217
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.0349	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0543	1	1
Onchocerca volvulus		0.0114	0.1988	0.1987
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0034	0.0034
Trichomonas vaginalis	conserved hypothetical protein	0.0012	0.0082	0.1511
Schistosoma mansoni	hypothetical protein	0.0016	0.0167	0.0167
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0256	0.4644	0.4644
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0012	0.0082	0.1511
Echinococcus granulosus	hyperpolarization activated cyclic	0.0008	0.0003	0.0003
Loa Loa (eye worm)	steroid hormone receptor	0.0543	1	1
Brugia malayi	Intermediate filament tail domain containing protein	0.0028	0.0383	0.0382
Echinococcus granulosus	GPCR family 2	0.0016	0.0167	0.0167
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0031	0.0031
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0008	0.0003	0.0003
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0543	1	1
Loa Loa (eye worm)	DR-78	0.0256	0.4644	0.4644
Entamoeba histolytica	hypothetical protein	0.0012	0.0082	0.5
Schistosoma mansoni	chromobox protein-related (chromobox 1) (heterochromatin 1)	0.0012	0.0082	0.0082
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0007	0.0001	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0256	0.4644	0.4644
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0543	1	1
Brugia malayi	hypothetical protein	0.0017	0.0176	0.0176
Loa Loa (eye worm)	hypothetical protein	0.0256	0.4644	0.4644
Trichomonas vaginalis	conserved hypothetical protein	0.0012	0.0082	0.1511
Echinococcus multilocularis	Chromo domain	0.0012	0.0082	0.0082
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0019	0.0208	0.3907
Trichomonas vaginalis	chromobox protein, putative	0.0012	0.0082	0.1511
Onchocerca volvulus		0.0105	0.1818	0.1817
Loa Loa (eye worm)	hypothetical protein	0.0035	0.052	0.0519
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0543	1	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0027	0.0367	0.0367
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0543	1	1
Loa Loa (eye worm)	hypothetical protein	0.0256	0.4644	0.4644
Loa Loa (eye worm)	nuclear hormone receptor	0.0256	0.4644	0.4644
Loa Loa (eye worm)	cytochrome P450 family protein	0.0016	0.0168	0.0167
Schistosoma mansoni	cercarial elastase (S01 family)	0.0007	0.0001	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0383	0.0382
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0256	0.4644	0.4644
Loa Loa (eye worm)	hypothetical protein	0.0256	0.4644	0.4644
Trichomonas vaginalis	chromobox protein, putative	0.0012	0.0082	0.1511
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.0008	0.0003	0.0003
Schistosoma mansoni	cercarial elastase (S01 family)	0.0007	0.0001	0.0001
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0016	0.0167	0.0167
Trichomonas vaginalis	conserved hypothetical protein	0.0012	0.0082	0.1511
Echinococcus granulosus	chromobox protein 2	0.0012	0.0082	0.0082
Echinococcus granulosus	cyclic nucleotide gated cation channel alpha 3	0.0008	0.0003	0.0003
Onchocerca volvulus		0.0256	0.4644	0.4644
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0167	0.0166
Schistosoma mansoni	chromobox protein	0.0012	0.0082	0.0082
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0011	0.0069	0.0068
Echinococcus multilocularis	neuropeptide s receptor	0.0478	0.8791	0.8791
Trichomonas vaginalis	conserved hypothetical protein	0.0012	0.0082	0.1511
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0287	0.5218	0.5218

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 1 uM	Inhibition of trypsin by FCS method	ChEMBL.	17350836
IC50 (binding)	= 1 uM	Inhibition of trypsin by FCS method	ChEMBL.	17350836

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 454646