TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 541.565 | Formula: C28H30F3N5O3
H donors: 4 H acceptors: 5 LogP: 1.7 Rotable bonds: 9
Rule of 5 violations (Lipinski): 2
SMILES: OC(=O)C(F)(F)F.NC[C@@H]1CC[C@H](CC1)C(=O)N[C@H](c1[nH]cc(n1)c1cccc(c1)C#N)Cc1ccccc1
InChi: 1S/C26H29N5O.C2HF3O2/c27-15-19-9-11-21(12-10-19)26(32)31-23(14-18-5-2-1-3-6-18)25-29-17-24(30-25)22-8-4-7-20(13-22)16-28;3-2(4,5)1(6)7/h1-8,13,17,19,21,23H,9-12,14-15,27H2,(H,29,30)(H,31,32);(H,6,7)/t19-,21-,23-;/m0./s1
InChiKey: IECKGYHNKLWLFF-AHLSRPLNSA-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	coagulation factor VII (serum prothrombin conversion accelerator)	Starlite/ChEMBL	References
Homo sapiens	coagulation factor XI	Starlite/ChEMBL	References
Homo sapiens	coagulation factor X	Starlite/ChEMBL	References
Homo sapiens	kallikrein B, plasma (Fletcher factor) 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Neospora caninum	hypothetical protein	Get druggable targets OG5_134971	All targets in OG5_134971
Toxoplasma gondii	PAN domain-containing protein	Get druggable targets OG5_134971	All targets in OG5_134971
Neospora caninum	hypothetical protein	Get druggable targets OG5_134971	All targets in OG5_134971
Toxoplasma gondii	PAN domain-containing protein	Get druggable targets OG5_134971	All targets in OG5_134971
Neospora caninum	hypothetical protein	Get druggable targets OG5_134971	All targets in OG5_134971

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
Echinococcus multilocularis	neurogenic locus notch protein 4	0.0022	0.0058	0.0058
Onchocerca volvulus		0.0139	0.1217	0.6095
Schistosoma mansoni	hypothetical protein	0.0139	0.1217	0.1378
Onchocerca volvulus		0.0022	0.0058	0.0291
Schistosoma mansoni	matrix metallopeptidase-9 (M10 family)	0.0081	0.064	0.0725
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0058	0.0193
Plasmodium vivax	aspartyl proteinase, putative	0.0318	0.3008	1
Brugia malayi	Calcium binding EGF domain containing protein	0.0022	0.0058	0.0265
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0101	0.0841	0.0951
Brugia malayi	PAN domain containing protein	0.0046	0.0292	0.1331
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0494	0.1642
Echinococcus multilocularis	protein jagged 1	0.0022	0.0058	0.0058
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0058	0.0193
Brugia malayi	Matrixin family protein	0.0098	0.081	0.3694
Brugia malayi	aspartic protease BmAsp-2, identical	0.0101	0.0841	0.3834
Schistosoma mansoni	multidrug resistance protein	0.002	0.0038	0.0043
Entamoeba histolytica	P-glycoprotein-2	0.002	0.0038	0.5
Loa Loa (eye worm)	aspartic protease BmAsp-1	0.0101	0.0841	0.2794
Plasmodium vivax	plasmepsin IV, putative	0.0318	0.3008	1
Schistosoma mansoni	hypothetical protein	0.0022	0.0058	0.0066
Brugia malayi	EGF-like domain containing protein	0.0022	0.0058	0.0265
Schistosoma mansoni	hypothetical protein	0.0022	0.0058	0.0066
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0494	0.1642
Echinococcus granulosus	protein jagged 2	0.0022	0.0058	0.0058
Echinococcus granulosus	fibropellin Ia	0.0022	0.0058	0.0058
Loa Loa (eye worm)	blistered cuticle protein 3	0.0066	0.0494	0.1642
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.0022	0.0058	0.0265
Echinococcus granulosus	serine:threonine protein kinase	0.0237	0.2192	0.2192
Toxoplasma gondii	microneme protein MIC17B	0.0046	0.0292	0.0368
Onchocerca volvulus		0.0046	0.0292	0.1461
Onchocerca volvulus		0.0046	0.0292	0.1461
Echinococcus multilocularis	slit 2 protein	0.0022	0.0058	0.0058
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.002	0.0038	0.0038
Loa Loa (eye worm)	matrixin family protein	0.0217	0.1997	0.6639
Echinococcus multilocularis	notch	0.0022	0.0058	0.0058
Brugia malayi	Delta serrate ligand family protein	0.0022	0.0058	0.0265
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0058	0.0193
Brugia malayi	Hemopexin family protein	0.0139	0.1217	0.5553
Schistosoma mansoni	notch	0.0022	0.0058	0.0066
Entamoeba histolytica	P-glyco protein 6, putative	0.002	0.0038	0.5
Onchocerca volvulus		0.002	0.0038	0.0191
Toxoplasma gondii	PAN domain-containing protein	0.0046	0.0292	0.0368
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0058	0.0193
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0058	0.0193
Brugia malayi	ABC transporter family protein	0.002	0.0038	0.0174
Toxoplasma gondii	subtilisin SUB12	0.0046	0.0292	0.0368
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0101	0.0841	0.0951
Echinococcus multilocularis	peroxidasin	0.0069	0.0523	0.0523
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0494	0.1642
Echinococcus granulosus	delta-like protein 1	0.0022	0.0058	0.0058
Brugia malayi	Calcium binding EGF domain containing protein	0.0022	0.0058	0.0265
Echinococcus multilocularis	serine:threonine protein kinase	0.0237	0.2192	0.2192
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0115	0.098	0.098
Echinococcus multilocularis	protein jagged 2	0.0022	0.0058	0.0058
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.002	0.0038	0.0038
Echinococcus multilocularis	fat cadherin tumor suppressor	0.0022	0.0058	0.0058
Brugia malayi	PAN domain containing protein	0.0046	0.0292	0.1331
Schistosoma mansoni	multidrug resistance protein	0.002	0.0038	0.0043
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0115	0.098	0.4469
Schistosoma mansoni	matrix metallopeptidase-7 (M10 family)	0.0098	0.081	0.0917
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.002	0.0038	0.0038
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0101	0.0841	0.0951
Loa Loa (eye worm)	PAN domain-containing protein	0.0046	0.0292	0.097
Onchocerca volvulus	Dual oxidase homolog	0.0066	0.0494	0.2473
Loa Loa (eye worm)	hypothetical protein	0.0098	0.081	0.2692
Onchocerca volvulus	Matrix metalloproteinase homolog	0.0217	0.1997	1
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0494	0.1642
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0058	0.0193
Brugia malayi	Blistered cuticle protein 3	0.0066	0.0494	0.2253
Brugia malayi	EGF-like domain containing protein	0.0022	0.0058	0.0265
Brugia malayi	hypothetical protein	0.0101	0.0841	0.3834
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0115	0.098	0.098
Schistosoma mansoni	peroxidasin	0.0066	0.0494	0.0559
Loa Loa (eye worm)	hypothetical protein	0.0098	0.081	0.2692
Brugia malayi	EGF-like domain containing protein	0.0022	0.0058	0.0265
Echinococcus granulosus	multidrug resistance protein 1	0.002	0.0038	0.0038
Loa Loa (eye worm)	notch protein	0.0022	0.0058	0.0193
Plasmodium falciparum	plasmepsin X	0.0101	0.0841	0.2702
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0292	0.097
Onchocerca volvulus		0.0066	0.0494	0.2473
Toxoplasma gondii	PAN domain-containing protein	0.0713	0.6934	1
Brugia malayi	PAN domain containing protein	0.0046	0.0292	0.1331
Toxoplasma gondii	PAN/Apple domain-containing protein	0.0046	0.0292	0.0368
Brugia malayi	hypothetical protein	0.0101	0.0841	0.3834
Brugia malayi	PAN domain containing protein	0.0046	0.0292	0.1331
Schistosoma mansoni	laminin gamma-3 chain	0.0022	0.0058	0.0066
Brugia malayi	hypothetical protein	0.0066	0.0494	0.2253
Echinococcus granulosus	neurogenic locus notch protein	0.0022	0.0058	0.0058
Brugia malayi	Matrixin family protein	0.0237	0.2192	1
Onchocerca volvulus		0.0046	0.0292	0.1461
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0101	0.0841	0.0951
Schistosoma mansoni	notch	0.0022	0.0058	0.0066
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0058	0.0193
Schistosoma mansoni	cathepsin D (A01 family)	0.0874	0.8539	0.9664
Echinococcus granulosus	matrix metallopeptidase 7 M10 family	0.0356	0.3379	0.3379
Schistosoma mansoni	cell polarity protein	0.0022	0.0058	0.0066
Echinococcus granulosus	notch	0.0022	0.0058	0.0058
Brugia malayi	Animal haem peroxidase family protein	0.0066	0.0494	0.2253
Onchocerca volvulus		0.0101	0.0841	0.4209
Schistosoma mansoni	notch	0.0022	0.0058	0.0066
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0101	0.0841	0.0951
Toxoplasma gondii	PAN domain-containing protein	0.0046	0.0292	0.0368
Schistosoma mansoni	hypothetical protein	0.0022	0.0058	0.0066
Onchocerca volvulus		0.0046	0.0292	0.1461
Onchocerca volvulus	Putative cubilin	0.0022	0.0058	0.0291
Loa Loa (eye worm)	hypothetical protein	0.0119	0.1022	0.3399
Loa Loa (eye worm)	hypothetical protein	0.002	0.0036	0.0119
Onchocerca volvulus	Neurogenic locus notch homolog	0.0022	0.0058	0.0291
Loa Loa (eye worm)	PAN domain-containing protein	0.0046	0.0292	0.097
Schistosoma mansoni	notch	0.0022	0.0058	0.0066
Plasmodium vivax	aspartyl protease, putative	0.0101	0.0841	0.2702
Loa Loa (eye worm)	PAN domain-containing protein	0.0046	0.0292	0.097
Echinococcus granulosus	neural cadherin	0.0022	0.0058	0.0058
Brugia malayi	Animal haem peroxidase family protein	0.0066	0.0494	0.2253
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0058	0.0193
Plasmodium vivax	plasmepsin V, putative	0.0101	0.0841	0.2702
Brugia malayi	PAN domain containing protein	0.0046	0.0292	0.1331
Echinococcus granulosus	myosin light chain kinase smooth muscle	0.0237	0.2192	0.2192
Plasmodium falciparum	plasmepsin IX	0.0101	0.0841	0.2702
Onchocerca volvulus	Peroxidase homolog	0.0066	0.0494	0.2473
Toxoplasma gondii	aspartyl protease ASP1	0.0318	0.3008	0.4307
Brugia malayi	Animal haem peroxidase family protein	0.0066	0.0494	0.2253
Mycobacterium ulcerans	hydrolase	0.0119	0.1022	1
Plasmodium vivax	aspartyl proteinase, putative	0.0101	0.0841	0.2702
Brugia malayi	notch-like transmembrane receptor	0.0022	0.0058	0.0265
Schistosoma mansoni	notch	0.0022	0.0058	0.0066
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.102	1	1
Loa Loa (eye worm)	ATP-binding cassette sub-family B member 2	0.002	0.0038	0.0127
Onchocerca volvulus	Slit protein homolog	0.0022	0.0058	0.0291
Schistosoma mansoni	Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)]	0.0022	0.0058	0.0066
Loa Loa (eye worm)	hypothetical protein	0.002	0.0038	0.0127
Onchocerca volvulus	Peroxidase homolog	0.0066	0.0494	0.2473
Loa Loa (eye worm)	aspartic protease BmAsp-2	0.0318	0.3008	1
Schistosoma mansoni	notch	0.0022	0.0058	0.0066
Onchocerca volvulus		0.0046	0.0292	0.1461
Echinococcus multilocularis	ATP binding cassette sub family B	0.002	0.0036	0.0036
Echinococcus multilocularis	neurogenic locus protein delta	0.0022	0.0058	0.0058
Echinococcus granulosus	neurogenic locus protein delta	0.0022	0.0058	0.0058
Entamoeba histolytica	P-glycoprotein-5	0.002	0.0038	0.5
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0494	0.1642
Brugia malayi	EGF-like domain containing protein	0.0022	0.0058	0.0265
Onchocerca volvulus		0.0046	0.0292	0.1461
Echinococcus multilocularis	neurogenic locus notch protein	0.0022	0.0058	0.0058
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0058	0.0193
Plasmodium falciparum	plasmepsin VI	0.0318	0.3008	1
Toxoplasma gondii	EGF family domain-containing protein	0.0022	0.0058	0.0029
Brugia malayi	Matrixin family protein	0.0098	0.081	0.3694
Brugia malayi	PAN domain containing protein	0.0046	0.0292	0.1331
Onchocerca volvulus	Matrilysin homolog	0.0098	0.081	0.4055
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0058	0.0193
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0058	0.0193
Loa Loa (eye worm)	hypothetical protein	0.0098	0.081	0.2692
Schistosoma mansoni	hypothetical protein	0.0022	0.0058	0.0066
Brugia malayi	EGF-like domain containing protein	0.0022	0.0058	0.0265
Plasmodium falciparum	plasmepsin IV	0.0318	0.3008	1
Brugia malayi	Calcium binding EGF domain containing protein	0.0022	0.0058	0.0265
Echinococcus multilocularis	myosin light chain kinase, smooth muscle	0.0237	0.2192	0.2192
Chlamydia trachomatis	ABC transporter ATP binding protein/permease	0.002	0.0038	0.5
Loa Loa (eye worm)	hypothetical protein	0.0318	0.3008	1
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0494	0.1642
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0292	0.097
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0494	0.1642
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0058	0.0193
Brugia malayi	PAN domain containing protein	0.0046	0.0292	0.1331
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.002	0.0038	0.0038
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0058	0.0193
Toxoplasma gondii	aspartyl proteinase (eimepsin), putative	0.0318	0.3008	0.4307
Trichomonas vaginalis	Clan AA, family A1, cathepsin D-like aspartic peptidase	0.0318	0.3008	1
Echinococcus granulosus	neurogenic locus notch protein	0.0022	0.0058	0.0058
Brugia malayi	Cadherin domain containing protein	0.0022	0.0058	0.0265
Brugia malayi	Animal haem peroxidase family protein	0.0069	0.0523	0.2384
Toxoplasma gondii	microneme protein MIC4	0.0046	0.0292	0.0368
Brugia malayi	Pepsin A precursor	0.0101	0.0841	0.3834
Onchocerca volvulus		0.0098	0.081	0.4055
Brugia malayi	aspartic protease BmAsp-1, identical	0.0101	0.0841	0.3834
Onchocerca volvulus		0.0046	0.0292	0.1461
Toxoplasma gondii	microneme protein, putative	0.0046	0.0292	0.0368
Onchocerca volvulus		0.0046	0.0292	0.1461
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	0.0318	0.3008	0.3008
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.002	0.0038	0.0038
Schistosoma mansoni	smdr2	0.002	0.0038	0.0043
Loa Loa (eye worm)	aspartyl protease 6	0.0101	0.0841	0.2794
Toxoplasma gondii	PAN domain-containing protein	0.0046	0.0292	0.0368
Brugia malayi	Matrix metalloprotease, N-terminal domain containing protein	0.0119	0.1022	0.4664
Brugia malayi	PAN domain containing protein	0.0046	0.0292	0.1331
Schistosoma mansoni	hypothetical protein	0.0022	0.0058	0.0066
Schistosoma mansoni	multidrug resistance protein	0.002	0.0038	0.0043
Echinococcus multilocularis	multidrug resistance protein 1	0.002	0.0038	0.0038
Onchocerca volvulus		0.0046	0.0292	0.1461
Schistosoma mansoni	hypothetical protein	0.0022	0.0058	0.0066
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.002	0.0038	0.0038
Plasmodium falciparum	plasmepsin III	0.0101	0.0841	0.2702
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0318	0.3008	0.3404
Onchocerca volvulus	Peroxidasin homolog	0.0069	0.0523	0.2617
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0292	0.097
Schistosoma mansoni	hypothetical protein	0.0022	0.0058	0.0066
Schistosoma mansoni	memapsin-2 (A01 family)	0.0903	0.8836	1
Echinococcus granulosus	multidrug resistance protein 1	0.002	0.0038	0.0038
Loa Loa (eye worm)	animal heme peroxidase	0.0066	0.0494	0.1642
Echinococcus granulosus	protein jagged 2	0.0022	0.0058	0.0058
Plasmodium falciparum	plasmepsin V	0.0101	0.0841	0.2702
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0292	0.097
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0101	0.0841	0.0951
Toxoplasma gondii	1,3(4)-beta-glucanase	0.0046	0.0292	0.0368
Echinococcus granulosus	peroxidasin	0.0069	0.0523	0.0523
Entamoeba histolytica	P-glycoprotein-2	0.002	0.0038	0.5
Leishmania major	ATP-binding cassette protein subfamily B, member 2, putative	0.002	0.0038	0.5
Toxoplasma gondii	hypothetical protein	0.0046	0.0292	0.0368
Echinococcus multilocularis	matrix metallopeptidase 7 (M10 family)	0.0356	0.3379	0.3379
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0058	0.0193
Toxoplasma gondii	eukaryotic aspartyl protease superfamily protein	0.0101	0.0841	0.1164
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0058	0.0193
Echinococcus multilocularis	neural cadherin	0.0022	0.0058	0.0058
Echinococcus granulosus	5'partial\|ATP binding cassette sub family B	0.002	0.0036	0.0036
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0841	0.2794
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0292	0.097
Entamoeba histolytica	P-glycoprotein-2, putative	0.002	0.0038	0.5
Echinococcus multilocularis	neurogenic locus notch protein	0.0022	0.0058	0.0058
Echinococcus multilocularis	protein jagged 1	0.0022	0.0058	0.0058
Onchocerca volvulus		0.0022	0.0058	0.0291
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0494	0.1642
Onchocerca volvulus	Neurogenic locus notch protein homolog	0.0022	0.0058	0.0291
Loa Loa (eye worm)	hypothetical protein	0.002	0.003	0.0101
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	0.0318	0.3008	0.3008
Loa Loa (eye worm)	PAN domain-containing protein	0.0046	0.0292	0.097
Brugia malayi	Matrixin family protein	0.0098	0.081	0.3694
Brugia malayi	GCC2 and GCC3 family protein	0.0022	0.0058	0.0265
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0494	0.1642
Loa Loa (eye worm)	matrixin family protein	0.0237	0.2192	0.7288
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0115	0.098	0.3257
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0841	0.2794
Echinococcus multilocularis	multidrug resistance protein 1	0.002	0.0038	0.0038
Brugia malayi	PAN domain containing protein	0.0046	0.0292	0.1331
Schistosoma mansoni	peroxidasin	0.0066	0.0494	0.0559
Brugia malayi	PAN domain containing protein	0.0046	0.0292	0.1331
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0058	0.0193
Schistosoma mansoni	septate junction protein	0.0022	0.0058	0.0066
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0292	0.097
Onchocerca volvulus		0.0046	0.0292	0.1461
Plasmodium falciparum	plasmepsin I	0.0318	0.3008	1
Toxoplasma gondii	aspartyl protease ASP3	0.0101	0.0841	0.1164
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0292	0.097
Toxoplasma gondii	hypothetical protein	0.0046	0.0292	0.0368
Toxoplasma gondii	PAN domain-containing protein	0.0713	0.6934	1
Loa Loa (eye worm)	PAN domain-containing protein	0.0046	0.0292	0.097
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.002	0.0038	0.0038
Echinococcus granulosus	multidrug resistance protein 1	0.002	0.0038	0.0038
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.002	0.0038	0.0038
Brugia malayi	Eukaryotic aspartyl protease family protein	0.0101	0.0841	0.3834
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0494	0.1642
Onchocerca volvulus		0.0022	0.0058	0.0291
Entamoeba histolytica	P-glycoprotein 5, putative	0.002	0.0038	0.5
Onchocerca volvulus	Peroxidasin homolog	0.0069	0.0523	0.2617
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0058	0.0193
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0101	0.0841	0.0951
Onchocerca volvulus		0.0066	0.0494	0.2473
Brugia malayi	EGF-like domain containing protein	0.0022	0.0058	0.0265
Leishmania major	p-glycoprotein	0.002	0.0038	0.5
Mycobacterium leprae	PROBABLE HYDROLASE	0.0119	0.1022	0.5
Onchocerca volvulus		0.0101	0.0841	0.4209
Brugia malayi	multidrug resistance protein 3	0.002	0.0038	0.0174
Loa Loa (eye worm)	hypothetical protein	0.002	0.0038	0.0127
Brugia malayi	Peroxidasin	0.0069	0.0523	0.2384
Entamoeba histolytica	P-glycoprotein-1	0.002	0.0038	0.5
Toxoplasma gondii	microneme protein MIC17A	0.0046	0.0292	0.0368
Brugia malayi	Matrixin family protein	0.0098	0.081	0.3694
Plasmodium vivax	aspartyl protease, putative	0.0101	0.0841	0.2702
Echinococcus multilocularis	fibropellin Ia	0.0022	0.0058	0.0058
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0058	0.0193
Plasmodium falciparum	plasmepsin VIII, putative	0.0101	0.0841	0.2702
Schistosoma mansoni	cathepsin D (A01 family)	0.0874	0.8539	0.9664
Echinococcus granulosus	slit 2 protein	0.0022	0.0058	0.0058
Toxoplasma gondii	aspartyl protease	0.0101	0.0841	0.1164
Plasmodium falciparum	plasmepsin VII	0.0101	0.0841	0.2702
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0058	0.0193
Plasmodium vivax	aspartyl protease, putative	0.0101	0.0841	0.2702
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0101	0.0841	0.0951
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0058	0.0193
Onchocerca volvulus		0.0066	0.0494	0.2473
Brugia malayi	Cadherin domain containing protein	0.0022	0.0058	0.0265
Toxoplasma gondii	PAN domain-containing protein	0.0046	0.0292	0.0368
Echinococcus granulosus	protein jagged 1	0.0022	0.0058	0.0058
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0058	0.0193
Loa Loa (eye worm)	Notch2	0.0022	0.0058	0.0193
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0494	0.1642
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.002	0.0038	0.0038
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0523	0.1737
Onchocerca volvulus		0.0046	0.0292	0.1461
Mycobacterium tuberculosis	Probable peptidoglycan hydrolase	0.0119	0.1022	1
Loa Loa (eye worm)	animal heme peroxidase	0.0069	0.0523	0.1737
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0494	0.1642
Onchocerca volvulus	Chorion peroxidase homolog	0.0066	0.0494	0.2473
Giardia lamblia	High cysteine protein	0.0022	0.0058	0.5
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0115	0.098	0.098
Brugia malayi	Muscle positioning protein 4	0.0022	0.0058	0.0265
Toxoplasma gondii	microneme protein MIC17C	0.0046	0.0292	0.0368
Brugia malayi	EGF-like domain containing protein	0.0022	0.0058	0.0265
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0115	0.098	0.098
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0494	0.1642
Echinococcus granulosus	neurogenic locus notch protein 4	0.0022	0.0058	0.0058
Loa Loa (eye worm)	multidrug resistance protein 3	0.002	0.0038	0.0127
Onchocerca volvulus		0.0022	0.0058	0.0291
Onchocerca volvulus	Matrilysin homolog	0.0217	0.1997	1
Plasmodium falciparum	plasmepsin II	0.0318	0.3008	1
Schistosoma mansoni	protein tyrosine phosphatase n11 (shp2)	0.0115	0.098	0.1109
Loa Loa (eye worm)	animal heme peroxidase	0.0066	0.0494	0.1642
Loa Loa (eye worm)	matrix metalloproteinase	0.0098	0.081	0.2692
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0058	0.0193
Onchocerca volvulus		0.0022	0.0058	0.0291
Schistosoma mansoni	slit	0.0022	0.0058	0.0066
Brugia malayi	Animal haem peroxidase family protein	0.0066	0.0494	0.2253
Echinococcus granulosus	protein jagged 1	0.0022	0.0058	0.0058
Loa Loa (eye worm)	animal heme peroxidase	0.0066	0.0494	0.1642
Echinococcus multilocularis	neurogenic locus protein delta	0.0022	0.0058	0.0058

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 1120 nM	Inhibition of human coagulation factor 11a using p-nitroaniline as substrate assessed as substrate hydrolysis by spectrophotometrically	ChEMBL.	25405503
Ki (binding)	= 1170 nM	Inhibition of human plasma kallikrein using H-D-Pro-Phe-Arg-pNA as substrate	ChEMBL.	25405503
Ki (binding)	> 8180 nM	Inhibition of human coagulation factor 10a using N-benzoyl-Ile-Glu-(OH, OMe)-Gly-Arg-pNA as substrate by spectrophotometric analysis	ChEMBL.	25405503
Ki (binding)	> 10900 nM	Inhibition of human coagulation factor 7a using H-(D)-Ile-Pro-Arg-pNA as substrate by spectrophotometric analysis	ChEMBL.	25405503

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: CHEMBL3355668

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 943482