TDR Targets

Basic information

Technical information

TDR Targets ID: 227284
Name: 2-[2-(3-aminophenyl)-3-chloro-5-(methylamino) -6-oxopyrazin-1-yl]-N-[(4-carbamimidoylphenyl )methyl]acetamide
MW: 439.898 | Formula: C21H22ClN7O2
H donors: 4 H acceptors: 2 LogP: 0.88 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CNc1nc(Cl)c(n(c1=O)CC(=O)NCc1ccc(cc1)C(=N)N)c1cccc(c1)N
InChi: 1S/C21H22ClN7O2/c1-26-20-21(31)29(17(18(22)28-20)14-3-2-4-15(23)9-14)11-16(30)27-10-12-5-7-13(8-6-12)19(24)25/h2-9H,10-11,23H2,1H3,(H3,24,25)(H,26,28)(H,27,30)
InChiKey: HIXQZUJVMIZJLX-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

2-[2-(3-aminophenyl)-3-chloro-5-(methylamino)-6-oxo-pyrazin-1-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide
2-[2-(3-aminophenyl)-3-chloro-5-(methylamino)-6-oxo-1-pyrazinyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide
2-[2-(3-aminophenyl)-3-chloro-5-(methylamino)-6-oxo-pyrazin-1-yl]-N-[(4-carbamimidoylphenyl)methyl]ethanamide
N-(4-amidinobenzyl)-2-[2-(3-aminophenyl)-3-chloro-6-keto-5-(methylamino)pyrazin-1-yl]acetamide
2-[2-(3-aminophenyl)-3-chloro-5-methylamino-6-oxopyrazin-1-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide
2-[2-(3-aminophenyl)-3-chloro-5-methylamino-6-oxo-pyrazin-1-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide
2-[2-(3-aminophenyl)-3-chloro-5-methylamino-6-oxo-1-pyrazinyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide
N-(4-amidinobenzyl)-2-[2-(3-aminophenyl)-3-chloro-6-keto-5-methylamino-pyrazin-1-yl]acetamide
2-[2-(3-aminophenyl)-3-chloro-5-methylamino-6-oxo-pyrazin-1-yl]-N-[(4-carbamimidoylphenyl)methyl]ethanamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	coagulation factor III (thromboplastin, tissue factor)		References
Homo sapiens	Coagulation factor VII/tissue factor	Starlite/ChEMBL	References
Homo sapiens	coagulation factor VII (serum prothrombin conversion accelerator)		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	glycoprotein Antigen 5	coagulation factor VII (serum prothrombin conversion accelerator)	466 aa	384 aa	23.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	nuclear receptor	0.0041	0.0284	0.0284
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0052	0.0372	0.0387
Loa Loa (eye worm)	hypothetical protein	0.0087	0.0663	1
Echinococcus granulosus	nuclear receptor nhr 48	0.0041	0.0284	0.0284
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0041	0.0284	0.0295
Brugia malayi	Nuclear hormone receptor E75	0.0041	0.0284	0.428
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.001	0.0028	0.0028
Echinococcus multilocularis	protein jagged 1	0.0014	0.0059	0.0061
Brugia malayi	EGF-like domain containing protein	0.0014	0.0059	0.0888
Echinococcus multilocularis	nuclear receptor nhr 48	0.0041	0.0284	0.0295
Loa Loa (eye worm)	hypothetical protein	0.0087	0.0663	1
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0087	0.0663	1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0087	0.0663	0.0663
Onchocerca volvulus	Protein ultraspiracle homolog	0.0087	0.0663	0.5479
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0041	0.0284	0.2345
Echinococcus multilocularis	fibropellin Ia	0.0014	0.0059	0.0061
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0087	0.0663	1
Schistosoma mansoni	septate junction protein	0.0014	0.0059	0.0059
Schistosoma mansoni	Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)]	0.0014	0.0059	0.0059
Schistosoma mansoni	hypothetical protein	0.0014	0.0059	0.0059
Schistosoma mansoni	notch	0.0014	0.0059	0.0059
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0046	0.0324	0.4893
Brugia malayi	hypothetical protein	0.0041	0.0284	0.428
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0284	0.428
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0284	0.428
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0324	0.4893
Brugia malayi	GCC2 and GCC3 family protein	0.0014	0.0059	0.0888
Schistosoma mansoni	laminin gamma-3 chain	0.0014	0.0059	0.0059
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0059	0.0888
Loa Loa (eye worm)	hypothetical protein	0.0087	0.0663	1
Echinococcus multilocularis	neural cadherin	0.0014	0.0059	0.0061
Schistosoma mansoni	notch	0.0014	0.0059	0.0059
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0041	0.0284	0.0284
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0041	0.0284	0.2345
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0284	0.428
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0087	0.0663	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0052	0.0372	0.5615
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0087	0.0663	0.0663
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0087	0.0663	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0087	0.0663	1
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0006	0.5
Onchocerca volvulus	Slit protein homolog	0.0014	0.0059	0.0487
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0041	0.0284	0.0284
Schistosoma mansoni	hypothetical protein	0.0014	0.0059	0.0059
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0006	0.5
Brugia malayi	F/Y-rich N-terminus family protein	0.001	0.0027	0.0408
Brugia malayi	EGF-like domain containing protein	0.0014	0.0059	0.0888
Brugia malayi	EGF-like domain containing protein	0.0014	0.0059	0.0888
Schistosoma mansoni	cpg binding protein	0.0035	0.0229	0.0229
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0059	0.0888
Brugia malayi	Nuclear hormone receptor-like 1	0.0087	0.0663	1
Schistosoma mansoni	cpg binding protein	0.0033	0.0213	0.0213
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0062	0.0453	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0284	0.428
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0087	0.0663	0.0663
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0041	0.0284	0.428
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0087	0.0663	1
Schistosoma mansoni	zinc finger protein	0.0041	0.0284	0.0284
Schistosoma mansoni	thyroid hormone receptor	0.0087	0.0663	0.0663
Brugia malayi	nuclear receptor RXR	0.0041	0.0284	0.428
Onchocerca volvulus		0.0014	0.0059	0.0487
Schistosoma mansoni	coup transcription factor	0.0087	0.0663	0.0663
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0006	0.5
Echinococcus multilocularis	notch	0.0014	0.0059	0.0061
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0087	0.0663	1
Echinococcus granulosus	neurogenic locus notch protein 4	0.0014	0.0059	0.0059
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0087	0.0663	0.0689
Echinococcus multilocularis	neurogenic locus notch protein	0.0014	0.0059	0.0061
Onchocerca volvulus	Neurogenic locus notch homolog	0.0014	0.0059	0.0487
Onchocerca volvulus	Neurogenic locus notch protein homolog	0.0014	0.0059	0.0487
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0041	0.0284	0.0284
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0087	0.0663	1
Loa Loa (eye worm)	hypothetical protein	0.0087	0.0663	1
Onchocerca volvulus	Putative cubilin	0.0014	0.0059	0.0487
Brugia malayi	EGF-like domain containing protein	0.0014	0.0059	0.0888
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0006	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0087	0.0663	1
Brugia malayi	nuclear receptor RXR	0.0046	0.0324	0.4893
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0041	0.0284	0.0284
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.1178	0.9621	1
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0324	0.4893
Schistosoma mansoni	hypothetical protein	0.0014	0.0059	0.0059
Echinococcus granulosus	neurogenic locus notch protein	0.0014	0.0059	0.0059
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0041	0.0284	0.0284
Echinococcus granulosus	neural cadherin	0.0014	0.0059	0.0059
Schistosoma mansoni	nuclear hormone receptor	0.0041	0.0284	0.0284
Echinococcus multilocularis	fat cadherin tumor suppressor	0.0014	0.0059	0.0061
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0046	0.0324	0.0324
Onchocerca volvulus		0.0014	0.0059	0.0487
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0046	0.0324	0.0337
Onchocerca volvulus		0.0154	0.121	1
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0041	0.0284	0.0295
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0284	0.428
Brugia malayi	nuclear hormone receptor	0.0087	0.0663	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0284	0.428
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0008	0.0012	0.0012
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0087	0.0663	0.0663
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0087	0.0663	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0046	0.0324	0.4893
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0284	0.428
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0087	0.0663	0.0689
Echinococcus granulosus	neurogenic locus notch protein	0.0014	0.0059	0.0059
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0041	0.0284	0.0295
Echinococcus multilocularis	neurogenic locus protein delta	0.0014	0.0059	0.0061
Echinococcus multilocularis	protein jagged 2	0.0014	0.0059	0.0061
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0087	0.0663	0.0663
Echinococcus granulosus	ecdysone induced protein 78C	0.0087	0.0663	0.0663
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0006	0.5
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0059	0.0888
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0046	0.0324	0.0324
Schistosoma mansoni	notch	0.0014	0.0059	0.0059
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0059	0.0888
Echinococcus granulosus	cpg binding protein	0.0035	0.0229	0.0229
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0059	0.0888
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0008	0.0012	0.0012
Onchocerca volvulus		0.0014	0.0059	0.0487
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0059	0.0888
Schistosoma mansoni	cpg binding protein	0.0035	0.0229	0.0229
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0324	0.4893
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0087	0.0663	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0059	0.0888
Onchocerca volvulus		0.0033	0.0213	0.1763
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0087	0.0663	0.0689
Brugia malayi	conserved hypotetical protein	0.0041	0.0284	0.428
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0006	0.5
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0284	0.428
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0284	0.428
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0033	0.0213	0.3218
Echinococcus multilocularis	neurogenic locus notch protein	0.0014	0.0059	0.0061
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0041	0.0284	0.0284
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0284	0.428
Brugia malayi	EGF-like domain containing protein	0.0014	0.0059	0.0888
Brugia malayi	Delta serrate ligand family protein	0.0014	0.0059	0.0888
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0087	0.0663	1
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0087	0.0663	0.0689
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0087	0.0663	1
Loa Loa (eye worm)	Notch2	0.0014	0.0059	0.0888
Echinococcus granulosus	protein jagged 2	0.0014	0.0059	0.0059
Brugia malayi	Calcium binding EGF domain containing protein	0.0014	0.0059	0.0888
Brugia malayi	Cadherin domain containing protein	0.0014	0.0059	0.0888
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0052	0.0372	0.0387
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0006	0.5
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0059	0.0888
Echinococcus multilocularis	protein jagged 1	0.0014	0.0059	0.0061
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0087	0.0663	0.0689
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0006	0.5
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0059	0.0888
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0087	0.0663	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0087	0.0663	0.0663
Loa Loa (eye worm)	hypothetical protein	0.0087	0.0663	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0046	0.0324	0.4893
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0059	0.0888
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0087	0.0663	0.0663
Schistosoma mansoni	hypothetical protein	0.0014	0.0059	0.0059
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0041	0.0284	0.428
Brugia malayi	nuclear receptor NHR-88	0.0087	0.0663	1
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.001	0.0028	0.0029
Echinococcus granulosus	protein jagged 2	0.0014	0.0059	0.0059
Echinococcus granulosus	slit 2 protein	0.0014	0.0059	0.0059
Schistosoma mansoni	nuclear hormone receptor	0.0041	0.0284	0.0284
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0087	0.0663	0.0663
Echinococcus multilocularis	cpg binding protein	0.0035	0.0229	0.0238
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0008	0.0012	0.0012
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0059	0.0888
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0059	0.0888
Schistosoma mansoni	nuclear receptor	0.0041	0.0284	0.0284
Brugia malayi	hypothetical protein	0.0046	0.0324	0.4893
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0087	0.0663	0.0663
Echinococcus multilocularis	neurogenic locus notch protein 4	0.0014	0.0059	0.0061
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0087	0.0663	0.0663
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0041	0.0284	0.428
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0046	0.0324	0.0324
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0006	0.5
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0008	0.0012	0.0012
Brugia malayi	photoreceptor-specific nuclear receptor	0.0087	0.0663	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0052	0.0372	0.0372
Brugia malayi	nuclear receptor NHR-88	0.0041	0.0284	0.428
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0087	0.0663	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0059	0.0888
Brugia malayi	tailless protein	0.0041	0.0284	0.428
Echinococcus granulosus	thyroid hormone receptor alpha	0.0041	0.0284	0.0284
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0059	0.0888
Echinococcus multilocularis	ecdysone induced protein 78C	0.0087	0.0663	0.0689
Loa Loa (eye worm)	histone methyltransferase	0.001	0.0028	0.0424
Onchocerca volvulus		0.0041	0.0284	0.2345
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0006	0.5
Brugia malayi	EGF-like domain containing protein	0.0014	0.0059	0.0888
Schistosoma mansoni	notch	0.0014	0.0059	0.0059
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0006	0.5
Brugia malayi	ecdysteroid receptor	0.0087	0.0663	1
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0041	0.0284	0.428
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0008	0.0012	0.0012
Brugia malayi	nuclear hormone receptor	0.0041	0.0284	0.428
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0087	0.0663	0.0663
Schistosoma mansoni	RAR-like nuclear receptor	0.0087	0.0663	0.0663
Echinococcus granulosus	notch	0.0014	0.0059	0.0059
Brugia malayi	nuclear hormone receptor family member odr-7	0.0041	0.0284	0.428
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0052	0.0372	0.0372
Echinococcus granulosus	FTZ F1 alpha	0.0087	0.0663	0.0663
Brugia malayi	notch-like transmembrane receptor	0.0014	0.0059	0.0888
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0069	0.0514	0.0514
Schistosoma mansoni	nuclear hormone receptor	0.0087	0.0663	0.0663
Echinococcus multilocularis	slit 2 protein	0.0014	0.0059	0.0061
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0087	0.0663	1
Schistosoma mansoni	hypothetical protein	0.0014	0.0059	0.0059
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0087	0.0663	1
Brugia malayi	Calcium binding EGF domain containing protein	0.0014	0.0059	0.0888
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0284	0.428
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0006	0.5
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0059	0.0888
Schistosoma mansoni	thyroid hormone receptor	0.0087	0.0663	0.0663
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0006	0.5
Echinococcus granulosus	protein jagged 1	0.0014	0.0059	0.0059
Giardia lamblia	High cysteine protein	0.0014	0.0059	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0087	0.0663	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0059	0.0888
Loa Loa (eye worm)	hypothetical protein	0.0087	0.0663	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0284	0.428
Onchocerca volvulus		0.0014	0.0059	0.0487
Brugia malayi	Cadherin domain containing protein	0.0014	0.0059	0.0888
Brugia malayi	nuclear receptor NHR-67	0.0041	0.0284	0.428
Loa Loa (eye worm)	hypothetical protein	0.0087	0.0663	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0006	0.5
Brugia malayi	hypothetical protein	0.0046	0.0324	0.4893
Brugia malayi	orphan nuclear receptor NR2E1	0.0041	0.0284	0.428
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0059	0.0888
Echinococcus granulosus	neurogenic locus protein delta	0.0014	0.0059	0.0059
Onchocerca volvulus		0.0087	0.0663	0.5479
Loa Loa (eye worm)	notch protein	0.0014	0.0059	0.0888
Schistosoma mansoni	hypothetical protein	0.0014	0.0059	0.0059
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.0014	0.0059	0.0888
Onchocerca volvulus		0.0041	0.0284	0.2345
Brugia malayi	Steroid receptor seven-up type 2	0.0087	0.0663	1
Schistosoma mansoni	retinoic acid receptor RXR	0.1224	1	1
Mycobacterium ulcerans	hypothetical protein	0.0007	0	0.5
Schistosoma mansoni	hypothetical protein	0.0014	0.0059	0.0059
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0284	0.428
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0059	0.0888
Echinococcus multilocularis	FTZ F1 alpha	0.0087	0.0663	0.0689
Schistosoma mansoni	nuclear receptor nhr-48	0.0041	0.0284	0.0284
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0059	0.0888
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0324	0.4893
Brugia malayi	CXXC zinc finger family protein	0.0033	0.0213	0.3218
Echinococcus granulosus	fibropellin Ia	0.0014	0.0059	0.0059
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0059	0.0888
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0006	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0006	0.5
Loa Loa (eye worm)	steroid hormone receptor	0.0087	0.0663	1
Loa Loa (eye worm)	hypothetical protein	0.0087	0.0663	1
Schistosoma mansoni	notch	0.0014	0.0059	0.0059
Brugia malayi	Nuclear hormone receptor E75	0.0041	0.0284	0.428
Echinococcus granulosus	delta-like protein 1	0.0014	0.0059	0.0059
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0041	0.0284	0.0295
Brugia malayi	Muscle positioning protein 4	0.0014	0.0059	0.0888
Schistosoma mansoni	cell polarity protein	0.0014	0.0059	0.0059
Echinococcus multilocularis	neurogenic locus protein delta	0.0014	0.0059	0.0061
Echinococcus granulosus	protein jagged 1	0.0014	0.0059	0.0059
Loa Loa (eye worm)	DR-78	0.0041	0.0284	0.428
Loa Loa (eye worm)	nuclear hormone receptor	0.0041	0.0284	0.428
Schistosoma mansoni	notch	0.0014	0.0059	0.0059
Onchocerca volvulus	Bile acid receptor homolog	0.0087	0.0663	0.5479
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0087	0.0663	0.0689
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0087	0.0663	0.5479
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0087	0.0663	0.0663
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0052	0.0372	0.0372
Brugia malayi	EGF-like domain containing protein	0.0014	0.0059	0.0888
Brugia malayi	ecdysone receptor	0.0041	0.0284	0.428
Schistosoma mansoni	slit	0.0014	0.0059	0.0059
Brugia malayi	Calcium binding EGF domain containing protein	0.0014	0.0059	0.0888
Onchocerca volvulus		0.0014	0.0059	0.0487
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0087	0.0663	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0059	0.0888
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0052	0.0372	0.0372
Brugia malayi	hypothetical protein	0.0041	0.0284	0.428
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0052	0.0372	0.5615
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0052	0.0372	0.0372
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0006	0.5
Brugia malayi	steroid hormone receptor	0.0087	0.0663	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0087	0.0663	0.0689
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0087	0.0663	0.0663
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0087	0.0663	1
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0324	0.4893
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0059	0.0888
Trichomonas vaginalis	helicase, putative	0.0007	0.0006	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.06 uM	Inhibitory activity against tissue coagulation factor VII complex was determined (TF/VIIa complex)	ChEMBL.	12954058
IC50 (binding)	= 0.06 uM	Inhibitory activity against tissue coagulation factor VII complex was determined (TF/VIIa complex)	ChEMBL.	12954058
IC50 (binding)	> 30 uM	Inhibitory activity against thrombin (IIa) was determined	ChEMBL.	12954058
IC50 (binding)	> 30 uM	Inhibitory activity against thrombin (IIa) was determined	ChEMBL.	12954058

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: CHEMBL129926
PubChem: 11102236

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 227284