TDR Targets

Basic information

Technical information

TDR Targets ID: 64989
Name: methyl 3-[3-methyl-5-[[4-(2-sulfamoylphenyl)p henyl]carbamoyl]pyrazol-1-yl]naphthalene-2-ca rboxylate
MW: 540.59 | Formula: C29H24N4O5S
H donors: 2 H acceptors: 5 LogP: 4.75 Rotable bonds: 8
Rule of 5 violations (Lipinski): 2
SMILES: COC(=O)c1cc2ccccc2cc1n1nc(cc1C(=O)Nc1ccc(cc1)c1ccccc1S(=O)(=O)N)C
InChi: 1S/C29H24N4O5S/c1-18-15-26(33(32-18)25-17-21-8-4-3-7-20(21)16-24(25)29(35)38-2)28(34)31-22-13-11-19(12-14-22)23-9-5-6-10-27(23)39(30,36)37/h3-17H,1-2H3,(H,31,34)(H2,30,36,37)
InChiKey: COBIVKOGOVIEAB-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

3-[3-methyl-5-[oxo-[4-(2-sulfamoylphenyl)anilino]methyl]-1-pyrazolyl]-2-naphthalenecarboxylic acid methyl ester
3-[3-methyl-5-[[4-(2-sulfamoylphenyl)phenyl]carbamoyl]pyrazol-1-yl]naphthalene-2-carboxylic acid methyl ester
3-[3-methyl-5-[oxo-[[4-(2-sulfamoylphenyl)phenyl]amino]methyl]-1-pyrazolyl]-2-naphthalenecarboxylic acid methyl ester

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	protease, serine, 1 (trypsin 1)	Starlite/ChEMBL	References
Homo sapiens	kallikrein 1	Starlite/ChEMBL	References
Homo sapiens	coagulation factor X	Starlite/ChEMBL	References
Homo sapiens	plasminogen	Starlite/ChEMBL	References
Homo sapiens	coagulation factor II (thrombin)	Starlite/ChEMBL	References
Homo sapiens	protein C (inactivator of coagulation factors Va and VIIIa)	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
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	Get druggable targets OG5_136757	All targets in OG5_136757
Schistosoma japonicum	ko:K01346 pancreatic elastase II [EC3.4.21.71], putative	Get druggable targets OG5_136757	All targets in OG5_136757
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126639	All targets in OG5_126639
Echinococcus granulosus	Mastin	Get druggable targets OG5_136757	All targets in OG5_136757
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
Brugia malayi	Trypsin family protein	Get druggable targets OG5_126639	All targets in OG5_126639
Onchocerca volvulus		Get druggable targets OG5_126639	All targets in OG5_126639
Echinococcus multilocularis	glycoprotein Antigen 5	Get druggable targets OG5_136757	All targets in OG5_136757
Schistosoma japonicum	ko:K09639 transmembrane protease, serine 8, putative	Get druggable targets OG5_126639	All targets in OG5_126639
Echinococcus multilocularis	Mastin	Get druggable targets OG5_136757	All targets in OG5_136757
Echinococcus granulosus	glycoprotein Antigen 5	Get druggable targets OG5_136757	All targets in OG5_136757
Echinococcus multilocularis	enteropeptidase	Get druggable targets OG5_136757	All targets in OG5_136757
Onchocerca volvulus		Get druggable targets OG5_126639	All targets in OG5_126639
Echinococcus granulosus	enteropeptidase	Get druggable targets OG5_136757	All targets in OG5_136757
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
Brugia malayi	Trypsin family protein	kallikrein 1	262 aa	247 aa	22.7 %
Brugia malayi	Trypsin family protein	protease, serine, 1 (trypsin 1)	247 aa	287 aa	21.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0065	0.0517	0.141
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0056	0.034	0.0897
Plasmodium falciparum	histone deacetylase, putative	0.0115	0.1439	0.4108
Schistosoma mansoni	loxhd1	0.0038	0.0017	0.0049
Toxoplasma gondii	histone deacetylase HDAC5	0.0086	0.0909	0.2547
Echinococcus multilocularis	tissue type plasminogen activator	0.0048	0.0198	0.0541
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0449	0.1291
Loa Loa (eye worm)	histone deacetylase 1	0.0226	0.3479	0.3479
Trypanosoma brucei	histone deacetylase, putative	0.0115	0.1439	0.4085
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0094	0.1055	0.3013
Trichomonas vaginalis	CMGC family protein kinase	0.0056	0.034	0.0897
Loa Loa (eye worm)	hypothetical protein	0.0179	0.2623	0.2623
Schistosoma mansoni	histone deacetylase hda2	0.0086	0.0909	0.2613
Echinococcus multilocularis	Mastin	0.0073	0.0668	0.1898
Schistosoma mansoni	rab6-interacting	0.0038	0.0017	0.0049
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0038	0.0017	0.0021
Schistosoma mansoni	lipoxygenase	0.0167	0.2403	0.6908
Trichomonas vaginalis	histone deacetylase, putative	0.0226	0.3479	1
Loa Loa (eye worm)	hypothetical protein	0.0284	0.4559	0.4559
Echinococcus granulosus	geminin	0.0167	0.2402	0.6896
Schistosoma mansoni	serine/threonine protein kinase	0.0056	0.034	0.0977
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0449	0.1291
Echinococcus multilocularis	Galectin, carbohydrate recognition domain	0.0123	0.1586	0.4543
Loa Loa (eye worm)	histone deacetylase 3	0.0226	0.3479	0.3479
Echinococcus granulosus	histone deacetylase 6	0.0121	0.1555	0.4455
Toxoplasma gondii	kringle domain-containing protein	0.0048	0.0198	0.0484
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0078	0.075	0.2086
Schistosoma mansoni	intermediate filament proteins	0.0053	0.0286	0.0823
Trypanosoma brucei	6-phosphofructo-2-kinase 2	0.0179	0.2623	0.7519
Schistosoma mansoni	ap endonuclease	0.0039	0.0031	0.0088
Entamoeba histolytica	phosphoglycerate mutase family protein, putative	0.0108	0.13	0.2314
Schistosoma mansoni	6-phosphofructokinase	0.0182	0.268	0.7704
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0056	0.034	0.034
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0065	0.0517	0.0517
Echinococcus multilocularis	RUN	0.0038	0.0017	0.0021
Trichomonas vaginalis	histone deacetylase, putative	0.0226	0.3479	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0039	0.0038	0.0082
Entamoeba histolytica	hypothetical protein	0.0096	0.1078	0.191
Giardia lamblia	Histone deacetylase	0.0226	0.3479	0.6285
Echinococcus granulosus	lipoxygenase domain containing protein	0.0038	0.0017	0.0021
Trypanosoma cruzi	6-phosphofructo-2-kinase 1	0.0179	0.2623	0.7519
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0318	0.0318
Brugia malayi	galectin	0.0426	0.7174	0.7174
Schistosoma mansoni	hypothetical protein	0.005	0.0236	0.0679
Echinococcus multilocularis	histone deacetylase 6	0.0115	0.1439	0.412
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0039	0.0031	0.5
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.012	0.1523	0.4361
Echinococcus granulosus	histone deacetylase 6	0.0115	0.1439	0.412
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0039	0.0031	0.5
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0182	0.268	0.7684
Onchocerca volvulus		0.0134	0.1785	0.1771
Trypanosoma cruzi	histone deacetylase, putative	0.0086	0.0909	0.2547
Schistosoma mansoni	histone deacetylase 4 5	0.0115	0.1439	0.4137
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.012	0.1523	0.4361
Echinococcus granulosus	mitogen activated protein kinase 3	0.0056	0.034	0.0952
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0039	0.0031	0.0039
Echinococcus granulosus	histone deacetylase 8	0.0086	0.0909	0.2592
Trypanosoma cruzi	hypothetical protein, conserved	0.0048	0.0198	0.0484
Echinococcus multilocularis	6 phosphofructo 2 kinase:fructose 2	0.0182	0.268	0.7697
Trypanosoma cruzi	histone deacetylase, putative	0.0115	0.1439	0.4085
Echinococcus multilocularis	histone deacetylase 1	0.0226	0.3479	1
Echinococcus multilocularis	lamin	0.0053	0.0286	0.0796
Schistosoma mansoni	hypothetical protein	0.0065	0.0519	0.1493
Echinococcus multilocularis	Polycystic kidney disease protein	0.0038	0.0017	0.0021
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0039	0.0031	0.0039
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0134	0.1785	0.5132
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0065	0.0517	0.141
Loa Loa (eye worm)	TAR-binding protein	0.0061	0.0449	0.0449
Onchocerca volvulus	Histone deacetylase 10 homolog	0.0086	0.0909	0.0893
Loa Loa (eye worm)	galectin	0.0123	0.1586	0.1586
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0073	0.0668	0.1922
Trypanosoma brucei	histone deacetylase 2	0.0086	0.0909	0.2547
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0039	0.0031	0.006
Loa Loa (eye worm)	histone deacetylase	0.0115	0.1439	0.1439
Brugia malayi	Histone deacetylase family protein	0.0115	0.1439	0.1439
Echinococcus multilocularis	histone deacetylase 6	0.0115	0.1439	0.412
Schistosoma mansoni	rab6-interacting	0.0038	0.0017	0.0049
Toxoplasma gondii	histone deacetylase HDAC3	0.0226	0.3479	1
Echinococcus granulosus	histone acetyltransferase MYST2	0.0057	0.0375	0.1052
Giardia lamblia	DNA repair protein RAD52	0.0336	0.5517	1
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0286	0.0286
Loa Loa (eye worm)	hypothetical protein	0.0123	0.1586	0.1586
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0909	0.0909
Trypanosoma brucei	protein kinase, putative	0.0056	0.034	0.0897
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0179	0.2623	0.7519
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0056	0.034	0.0897
Echinococcus granulosus	Mastin	0.0073	0.0668	0.1898
Echinococcus multilocularis	musashi	0.0053	0.0286	0.0796
Brugia malayi	Histone deacetylase 1	0.0226	0.3479	0.3479
Echinococcus granulosus	glycoprotein Antigen 5	0.0073	0.0668	0.1898
Echinococcus granulosus	mitogen activated protein kinase	0.0056	0.034	0.0952
Loa Loa (eye worm)	galactoside-binding lectin family protein	0.0123	0.1586	0.1586
Plasmodium vivax	histone deacetylase 1, putative	0.0226	0.3479	1
Echinococcus granulosus	histone deacetylase 1	0.0226	0.3479	1
Echinococcus granulosus	histone deacetylase	0.0115	0.1439	0.412
Echinococcus granulosus	Galectin carbohydrate recognition domain	0.0123	0.1586	0.4543
Brugia malayi	RNA recognition motif domain containing protein	0.0061	0.0449	0.0449
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0065	0.0517	0.1461
Loa Loa (eye worm)	galectin	0.0426	0.7174	0.7174
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0065	0.0517	0.141
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0094	0.1055	0.1055
Loa Loa (eye worm)	MBCTL1	0.0057	0.0375	0.0375
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0065	0.0517	0.141
Brugia malayi	RNA binding protein	0.0061	0.0449	0.0449
Echinococcus granulosus	RUN	0.0038	0.0017	0.0021
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0061	0.0449	0.0449
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0094	0.1055	0.3033
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0017	0.0017
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0134	0.1785	0.5132
Schistosoma mansoni	histone deacetylase hda2	0.0121	0.1555	0.4471
Brugia malayi	hypothetical protein	0.0038	0.0017	0.0017
Echinococcus multilocularis	histone deacetylase 6	0.0121	0.1555	0.4455
Leishmania major	histone deacetylase, putative	0.0226	0.3479	1
Schistosoma mansoni	beta-galactosidase	0.0094	0.1052	0.3024
Loa Loa (eye worm)	hypothetical protein	0.0104	0.1243	0.1243
Plasmodium falciparum	histone deacetylase 1	0.0226	0.3479	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0094	0.1055	0.1055
Echinococcus multilocularis	histone deacetylase 3	0.0226	0.3479	1
Leishmania major	histone deacetylase, putative	0.0115	0.1439	0.4085
Onchocerca volvulus		0.0053	0.0286	0.027
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0198	0.0198
Brugia malayi	Galactoside-binding lectin family protein	0.0123	0.1586	0.1586
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0017	0.0017
Loa Loa (eye worm)	hypothetical protein	0.0094	0.1052	0.1052
Loa Loa (eye worm)	hypothetical protein	0.0134	0.1785	0.1785
Loa Loa (eye worm)	galactoside-binding lectin family protein	0.0123	0.1586	0.1586
Trypanosoma cruzi	histone deacetylase, putative	0.0115	0.1439	0.4085
Schistosoma mansoni	transcription factor LCR-F1	0.0039	0.0038	0.011
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0065	0.0517	0.1485
Brugia malayi	Histone deacetylase family protein	0.0115	0.1439	0.1439
Schistosoma mansoni	histone deacetylase	0.0226	0.3479	1
Loa Loa (eye worm)	RNA binding protein	0.0061	0.0449	0.0449
Echinococcus multilocularis	lamin dm0	0.0053	0.0286	0.0796
Schistosoma mansoni	ap endonuclease	0.0039	0.0031	0.0088
Echinococcus multilocularis	tar DNA binding protein	0.0061	0.0449	0.1266
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0039	0.0031	0.006
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0226	0.3479	1
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0449	0.1291
Plasmodium vivax	cysteine repeat modular protein 1, putative	0.0048	0.0198	0.0522
Loa Loa (eye worm)	hypothetical protein	0.0579	1	1
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0056	0.034	0.0897
Mycobacterium ulcerans	hypothetical protein	0.0108	0.13	1
Schistosoma mansoni	hypothetical protein	0.0039	0.0038	0.011
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0226	0.3479	1
Loa Loa (eye worm)	TK/ROR protein kinase	0.0048	0.0198	0.0198
Plasmodium vivax	histone deacetylase, putative	0.0115	0.1439	0.4108
Brugia malayi	TAR-binding protein	0.0061	0.0449	0.0449
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0094	0.1055	0.3013
Toxoplasma gondii	histone deacetylase HDAC4	0.0086	0.0909	0.2547
Onchocerca volvulus		0.0048	0.0198	0.0181
Brugia malayi	Kringle domain containing protein	0.0048	0.0198	0.0198
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0054	0.0318	0.0318
Schistosoma mansoni	polycystin 1-related	0.0038	0.0017	0.0049
Giardia lamblia	Hypothetical protein	0.0108	0.13	0.2314
Schistosoma mansoni	histone deacetylase 4 5	0.0115	0.1439	0.4137
Schistosoma mansoni	histone deacetylase	0.0226	0.3479	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0094	0.1055	0.3033
Brugia malayi	MAP kinase sur-1	0.0056	0.034	0.034
Trichomonas vaginalis	histone deacetylase, putative	0.0226	0.3479	1
Leishmania major	hypothetical protein, conserved	0.0048	0.0198	0.0484
Brugia malayi	histone deacetylase 3 (HD3)	0.0226	0.3479	0.3479
Brugia malayi	Galactoside-binding lectin family protein	0.0123	0.1586	0.1586
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0182	0.268	0.7684
Loa Loa (eye worm)	hypothetical protein	0.0134	0.1785	0.1785
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0449	0.1291
Trichomonas vaginalis	CMGC family protein kinase	0.0056	0.034	0.0897
Brugia malayi	histone deacetylase 11	0.0086	0.0909	0.0909
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0167	0.2403	0.6899
Onchocerca volvulus	Galectin homolog	0.0579	1	1
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0298	0.0298
Echinococcus multilocularis	histone deacetylase	0.0115	0.1439	0.412
Trichomonas vaginalis	CMGC family protein kinase	0.0056	0.034	0.0897
Trypanosoma cruzi	histone deacetylase 1, putative	0.0226	0.3479	1
Onchocerca volvulus	Galectin homolog	0.0123	0.1586	0.1571
Entamoeba histolytica	histone deacetylase, putative	0.0226	0.3479	0.6285
Onchocerca volvulus		0.0106	0.1278	0.1263
Trypanosoma brucei	histone deacetylase 4	0.0115	0.1439	0.4085
Toxoplasma gondii	histone deacetylase HDAC2	0.0226	0.3479	1
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0056	0.034	0.0897
Echinococcus granulosus	beta galactosidase	0.0094	0.1052	0.3004
Entamoeba histolytica	hypothetical protein	0.0039	0.0038	0.0014
Brugia malayi	hypothetical protein	0.0038	0.0017	0.0017
Trypanosoma brucei	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0078	0.075	0.2086
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0053	0.0286	0.0286
Giardia lamblia	Kinase, CMGC MAPK	0.0056	0.034	0.0564
Echinococcus granulosus	lamin dm0	0.0053	0.0286	0.0796
Trichomonas vaginalis	histone deacetylase, putative	0.0226	0.3479	1
Echinococcus granulosus	tar DNA binding protein	0.0061	0.0449	0.1266
Loa Loa (eye worm)	histone deacetylase 11	0.0086	0.0909	0.0909
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0057	0.0375	0.1052
Loa Loa (eye worm)	doublecortin family protein	0.0038	0.0017	0.0017
Loa Loa (eye worm)	histone deacetylase 7A	0.0115	0.1439	0.1439
Echinococcus granulosus	histone deacetylase 3	0.0226	0.3479	1
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase-1-like protein	0.0078	0.075	0.2086
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0078	0.075	0.2086
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0056	0.034	0.0897
Brugia malayi	exodeoxyribonuclease III family protein	0.0039	0.0031	0.0031
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0038	0.0017	0.0021
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0226	0.3479	1
Loa Loa (eye worm)	hypothetical protein	0.0182	0.268	0.268
Echinococcus granulosus	histone deacetylase 7	0.0115	0.1439	0.412
Loa Loa (eye worm)	galactoside-binding lectin family protein	0.0123	0.1586	0.1586
Onchocerca volvulus		0.0182	0.268	0.2667
Schistosoma mansoni	galectin	0.0123	0.1586	0.4558
Schistosoma mansoni	lamin	0.0053	0.0286	0.0823
Echinococcus granulosus	tissue type plasminogen activator	0.0048	0.0198	0.0541
Brugia malayi	Intermediate filament tail domain containing protein	0.0053	0.0286	0.0286
Trypanosoma cruzi	6-phosphofructo-2-kinase 1	0.0179	0.2623	0.7519
Schistosoma mansoni	hypothetical protein	0.0167	0.2402	0.6905
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0065	0.0517	0.0886
Echinococcus multilocularis	beta galactosidase	0.0094	0.1052	0.3004
Brugia malayi	Galactoside-binding lectin family protein	0.0123	0.1586	0.1586
Brugia malayi	Doublecortin family protein	0.0038	0.0017	0.0017
Plasmodium falciparum	histone deacetylase 2	0.0115	0.1439	0.4108
Entamoeba histolytica	hypothetical protein	0.0039	0.0038	0.0014
Echinococcus granulosus	lipoxygenase domain containing protein	0.0038	0.0017	0.0021
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.012	0.1523	0.1523
Schistosoma mansoni	lipoxygenase	0.0099	0.1136	0.3267
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0054	0.0318	0.0318
Toxoplasma gondii	histone deacetylase HDAC1	0.0115	0.1439	0.4085
Trypanosoma cruzi	histone deacetylase, putative	0.0086	0.0909	0.2547
Trypanosoma brucei	histone deacetylase 3	0.0115	0.1439	0.4085
Loa Loa (eye worm)	intermediate filament protein	0.0053	0.0286	0.0286
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0056	0.034	0.0952
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0057	0.0375	0.1077
Trypanosoma brucei	histone deacetylase 1	0.0226	0.3479	1
Brugia malayi	hypothetical protein	0.0039	0.0038	0.0038
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0065	0.0517	0.1461
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0039	0.0038	0.0082
Entamoeba histolytica	hypothetical protein	0.0039	0.0038	0.0014
Schistosoma mansoni	histone deacetylase 1 2 3	0.0086	0.0909	0.2613
Loa Loa (eye worm)	hypothetical protein	0.012	0.1523	0.1523
Entamoeba histolytica	hypothetical protein	0.0039	0.0038	0.0014
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0054	0.0318	0.0318
Echinococcus multilocularis	geminin	0.0167	0.2402	0.6896
Trichomonas vaginalis	histone deacetylase, putative	0.0226	0.3479	1
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0056	0.034	0.0897
Trypanosoma cruzi	histone deacetylase, putative	0.0115	0.1439	0.4085
Brugia malayi	Protein kinase domain containing protein	0.0048	0.0198	0.0198
Leishmania major	histone deacetylase, putative	0.0115	0.1439	0.4085
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0167	0.2403	0.6899
Echinococcus multilocularis	enteropeptidase	0.0073	0.0668	0.1898
Plasmodium falciparum	cysteine repeat modular protein 1	0.0048	0.0198	0.0522
Brugia malayi	galectin	0.0123	0.1586	0.1586
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0182	0.268	0.7684
Schistosoma mansoni	hypothetical protein	0.0038	0.0017	0.0049
Brugia malayi	histone deacetylase 1 (HD1)	0.0226	0.3479	0.3479
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0065	0.0517	0.0517
Echinococcus granulosus	Polycystic kidney disease protein	0.0038	0.0017	0.0021
Schistosoma mansoni	hypothetical protein	0.0167	0.2402	0.6905
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0039	0.0031	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0094	0.1055	0.3013
Plasmodium vivax	histone deacetylase, putative	0.0086	0.0909	0.2576
Trichomonas vaginalis	histone deacetylase, putative	0.0226	0.3479	1
Entamoeba histolytica	DNA repair and recombination protein RAD52, putative	0.0336	0.5517	1
Echinococcus granulosus	6 phosphofructo 2 kinase:fructose 2	0.0182	0.268	0.7697
Loa Loa (eye worm)	hypothetical protein	0.0226	0.3479	0.3479
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0056	0.034	0.0897
Echinococcus granulosus	enteropeptidase	0.0073	0.0668	0.1898
Trichomonas vaginalis	CMGC family protein kinase	0.0056	0.034	0.0897
Onchocerca volvulus		0.0053	0.0286	0.027
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0094	0.1055	0.3033
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0094	0.1055	0.3013
Schistosoma mansoni	hypothetical protein	0.0048	0.0198	0.0568
Echinococcus multilocularis	mitogen activated protein kinase	0.0056	0.034	0.0952
Brugia malayi	Trypsin family protein	0.0134	0.1785	0.1785
Brugia malayi	intermediate filament protein	0.0053	0.0286	0.0286
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0056	0.034	0.0897
Mycobacterium ulcerans	fructose-2,6-bisphosphatase GpmB	0.0108	0.13	1
Echinococcus multilocularis	histone deacetylase 8	0.0086	0.0909	0.2592
Loa Loa (eye worm)	hypothetical protein	0.0123	0.1586	0.1586
Echinococcus multilocularis	histone deacetylase 7	0.0115	0.1439	0.412
Echinococcus granulosus	histone deacetylase 6	0.0115	0.1439	0.412
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0268	0.0268
Entamoeba histolytica	Rad52/22 family double-strand break repair protein, putative	0.0096	0.1078	0.191
Echinococcus granulosus	intermediate filament protein	0.0053	0.0286	0.0796
Trypanosoma cruzi	histone deacetylase 1, putative	0.0226	0.3479	1
Trypanosoma brucei	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0182	0.268	0.7684
Echinococcus granulosus	lamin	0.0053	0.0286	0.0796
Giardia lamblia	Hypothetical protein	0.0108	0.13	0.2314
Plasmodium vivax	histone deacetylase 2, putative	0.0115	0.1439	0.4108
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0039	0.0031	0.0031
Schistosoma mansoni	lamin	0.0053	0.0286	0.0823
Echinococcus multilocularis	glycoprotein Antigen 5	0.0073	0.0668	0.1898
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0449	0.1291
Leishmania major	histone deacetylase, putative	0.0226	0.3479	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 545 nM	Inhibitory activity against coagulation factor Xa	ChEMBL.	12039583
IC50 (binding)	= 545 nM	Inhibitory activity against coagulation factor Xa	ChEMBL.	12039583
IC50 (binding)	> 11 uM	Inhibitory activity against thrombin	ChEMBL.	12039583
IC50 (binding)	> 11 uM	Inhibitory activity against trypsin	ChEMBL.	12039583
IC50 (binding)	> 11 uM	Inhibitory activity against tissue plasminogen activator	ChEMBL.	12039583
IC50 (binding)	> 11 uM	Inhibitory activity against activated protein C	ChEMBL.	12039583
IC50 (binding)	> 11 uM	Inhibitory activity against plasmin	ChEMBL.	12039583
IC50 (binding)	> 11 uM	Inhibitory activity against kallikrein	ChEMBL.	12039583
IC50 (binding)	> 11 uM	Inhibitory activity against thrombin	ChEMBL.	12039583
IC50 (binding)	> 11 uM	Inhibitory activity against trypsin	ChEMBL.	12039583
IC50 (binding)	> 11 uM	Inhibitory activity against tissue plasminogen activator	ChEMBL.	12039583
IC50 (binding)	> 11 uM	Inhibitory activity against activated protein C	ChEMBL.	12039583
IC50 (binding)	> 11 uM	Inhibitory activity against plasmin	ChEMBL.	12039583
IC50 (binding)	> 11 uM	Inhibitory activity against kallikrein	ChEMBL.	12039583

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: CHEMBL298259
PubChem: 20595225

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 64989