TDR Targets

Basic information

Technical information

TDR Targets ID: 1526459
Name: 3-amino-5-[[3-[(7-methoxynaphthalen-2-yl)sulf onylamino]-2-oxopyrrolidin-1-yl]methyl]benzen ecarboximidamide
MW: 467.541 | Formula: C23H25N5O4S
H donors: 3 H acceptors: 3 LogP: 1.58 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc2c(c1)cc(cc2)S(=O)(=O)NC1CCN(C1=O)Cc1cc(N)cc(c1)C(=N)N
InChi: 1S/C23H25N5O4S/c1-32-19-4-2-15-3-5-20(12-16(15)11-19)33(30,31)27-21-6-7-28(23(21)29)13-14-8-17(22(25)26)10-18(24)9-14/h2-5,8-12,21,27H,6-7,13,24H2,1H3,(H3,25,26)
InChiKey: QYBYIJVOSNTBCB-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-amino-5-[[3-[(7-methoxy-2-naphthyl)sulfonylamino]-2-oxo-pyrrolidin-1-yl]methyl]benzamidine
3-amino-5-[[3-[(7-methoxy-2-naphthyl)sulfonylamino]-2-oxo-1-pyrrolidinyl]methyl]benzamidine
3-amino-5-[[2-keto-3-[(7-methoxy-2-naphthyl)sulfonylamino]pyrrolidin-1-yl]methyl]benzamidine
3-amino-5-[[3-[(7-methoxynaphthalen-2-yl)sulfonylamino]-2-oxo-pyrrolidin-1-yl]methyl]benzenecarboximidamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	coagulation factor X	Starlite/ChEMBL	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

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Onchocerca volvulus		0.0803	0.2819	0.2819
Echinococcus granulosus	aldehyde reductase	0.197	0.7072	0.7072
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.2774	1	1
Mycobacterium ulcerans	oxidoreductase	0.2774	1	1
Onchocerca volvulus		0.2774	1	1
Plasmodium falciparum	aldo-keto reductase, putative	0.0803	0.2819	0.5
Schistosoma mansoni	aldo-keto reductase	0.2774	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.2774	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.2774	1	1
Onchocerca volvulus		0.2774	1	1
Schistosoma mansoni	pol-related	0.2774	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0803	0.2819	0.2802
Plasmodium falciparum	aldehyde reductase, putative	0.0803	0.2819	0.5
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.2774	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0063	0.0122	0.0122
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0063	0.0122	0.0122
Schistosoma mansoni	nuclear hormone receptor	0.0063	0.0122	0.0122
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.2774	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.2774	1	1
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0039	0.0034	0.0034
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0063	0.0122	0.0122
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0033	0.0013	0.0013
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0063	0.0122	0.0122
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0063	0.0122	0.0122
Brugia malayi	Trypsin family protein	0.012	0.0328	0.0328
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0063	0.0122	0.0122
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0063	0.0122	0.0122
Echinococcus multilocularis	aldo keto reductase	0.2774	1	1
Plasmodium vivax	oxidoreductase, aldo/keto reductase domain containing protein	0.0803	0.2819	0.5
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0122	0.0122
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0122	0.0122
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.2774	1	1
Echinococcus multilocularis	voltage gated potassium channel subunit	0.0803	0.2819	0.2819
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0063	0.0122	0.0122
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0063	0.0122	0.0122
Echinococcus granulosus	hypothetical protein	0.2774	1	1
Onchocerca volvulus		0.0063	0.0122	0.0122
Echinococcus multilocularis	aldo keto reductase	0.2774	1	1
Echinococcus granulosus	aldo keto reductase family 1, member B4	0.0803	0.2819	0.2819
Entamoeba histolytica	aldose reductase, putative	0.2774	1	1
Schistosoma mansoni	thyroid hormone receptor	0.0063	0.0122	0.0122
Onchocerca volvulus		0.012	0.0328	0.0328
Trichomonas vaginalis	aldo-keto reductase, putative	0.0803	0.2819	0.2802
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0033	0.0013	0.0013
Trypanosoma brucei	aldo-keto reductase, putative	0.2774	1	1
Leishmania major	aldo-keto reductase-like protein	0.2774	1	1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0063	0.0122	0.0122
Trypanosoma brucei	prostaglandin f synthase	0.2774	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.2774	1	1
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.2774	1	1
Leishmania major	prostaglandin f synthase, putative	0.2774	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.2774	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0803	0.2819	0.2802
Mycobacterium tuberculosis	Probable oxidoreductase	0.2774	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0063	0.0122	0.0122
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0122	0.0122
Onchocerca volvulus		0.2774	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0063	0.0122	0.0122
Echinococcus multilocularis	aldo keto reductase	0.2774	1	1
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0015	0.0015
Echinococcus multilocularis	FTZ F1 alpha	0.0063	0.0122	0.0122
Schistosoma mansoni	voltage-gated potassium channel	0.0043	0.0047	0.0047
Echinococcus granulosus	voltage gated potassium channel subunit	0.0803	0.2819	0.2819
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.2774	1	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0063	0.0122	0.0122
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0063	0.0122	0.0122
Trichomonas vaginalis	aldo/keto reductase, putative	0.2774	1	1
Brugia malayi	glutamate-cysteine ligase modifier subunit	0.0803	0.2819	0.2819
Echinococcus multilocularis	aldo keto reductase	0.2774	1	1
Echinococcus granulosus	ecdysone induced protein 78C	0.0063	0.0122	0.0122
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.2774	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.2774	1	1
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0063	0.0122	0.0122
Onchocerca volvulus		0.2774	1	1
Onchocerca volvulus		0.2774	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0063	0.0122	0.0122
Trichomonas vaginalis	aldo-keto reductase, putative	0.2774	1	1
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0122	0.0122
Mycobacterium leprae	Conserved hypothetical protein	0.197	0.7072	0.5922
Loa Loa (eye worm)	hypothetical protein	0.012	0.0328	0.0328
Loa Loa (eye worm)	oxidoreductase	0.2774	1	1
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0033	0.0013	0.0013
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0063	0.0122	0.0122
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0063	0.0122	0.0122
Echinococcus granulosus	aldo keto reductase	0.2774	1	1
Trypanosoma cruzi	aldo-keto reductase	0.2774	1	1
Loa Loa (eye worm)	hypothetical protein	0.2774	1	1
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0039	0.0034	0.0034
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.2774	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.2774	1	1
Loa Loa (eye worm)	oxidoreductase	0.2774	1	1
Brugia malayi	NADH-dependent xylose reductase	0.0803	0.2819	0.2819
Plasmodium vivax	aldehyde reductase, putative	0.0803	0.2819	0.5
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0063	0.0122	0.0122
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0039	0.0034	0.0034
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.2774	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0063	0.0122	0.0122
Giardia lamblia	Aldose reductase	0.2774	1	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0063	0.0122	0.0122
Echinococcus multilocularis	ecdysone induced protein 78C	0.0063	0.0122	0.0122
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0033	0.0013	0.0013
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0063	0.0122	0.0122
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0063	0.0122	0.0122
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0122	0.0122
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0063	0.0122	0.0122
Brugia malayi	nuclear hormone receptor	0.0063	0.0122	0.0122
Brugia malayi	nuclear receptor NHR-88	0.0063	0.0122	0.0122
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.2774	1	1
Trypanosoma cruzi	aldo/keto reductase, putative	0.2774	1	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.2774	1	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0063	0.0122	0.0122
Onchocerca volvulus		0.0106	0.0279	0.0279
Echinococcus granulosus	aldo keto reductase	0.2774	1	1
Schistosoma mansoni	retinoic acid receptor RXR	0.0063	0.0122	0.0122
Onchocerca volvulus	Bile acid receptor homolog	0.0063	0.0122	0.0122
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.2774	1	1
Schistosoma mansoni	voltage-gated potassium channel	0.0043	0.0047	0.0047
Trichomonas vaginalis	aldo/keto reductase, putative	0.2774	1	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0013	0.0013
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.012	0.0328	0.0328
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.2774	1	1
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0039	0.0034	0.0034
Brugia malayi	photoreceptor-specific nuclear receptor	0.0063	0.0122	0.0122
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0122	0.0122
Onchocerca volvulus	Protein ultraspiracle homolog	0.0063	0.0122	0.0122
Brugia malayi	steroid hormone receptor	0.0063	0.0122	0.0122
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0063	0.0122	0.0122
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0063	0.0122	0.0122
Brugia malayi	Nuclear hormone receptor-like 1	0.0033	0.0013	0.0013
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.2774	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.2774	1	1
Entamoeba histolytica	aldose reductase, putative	0.2774	1	1
Schistosoma mansoni	RAR-like nuclear receptor	0.0063	0.0122	0.0122
Giardia lamblia	Aldose reductase	0.2774	1	0.5
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.2774	1	1
Brugia malayi	hypothetical protein	0.0033	0.0013	0.0013
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.012	0.0328	0.0328
Schistosoma mansoni	thyroid hormone receptor	0.0063	0.0122	0.0122
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.2774	1	1
Brugia malayi	hypothetical protein	0.0033	0.0013	0.0013
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.2774	1	1
Trichomonas vaginalis	aldo/keto reductase, putative	0.2774	1	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0063	0.0122	0.0122
Trichomonas vaginalis	aldo-keto reductase, putative	0.2774	1	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0013	0.0013
Trichomonas vaginalis	aldo-keto reductase, putative	0.2774	1	1
Trichomonas vaginalis	alcohol dehydrogenase, putative	0.0803	0.2819	0.2802
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.2774	1	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0013	0.0013
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0063	0.0122	0.0122
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.2774	1	1
Onchocerca volvulus		0.2774	1	1
Brugia malayi	nuclear receptor RXR	0.0033	0.0013	0.0013
Schistosoma mansoni	potassium channel beta	0.0803	0.2819	0.2819
Trichomonas vaginalis	conserved hypothetical protein	0.0803	0.2819	0.2802
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0063	0.0122	0.0122
Echinococcus granulosus	FTZ F1 alpha	0.0063	0.0122	0.0122
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0063	0.0122	0.0122
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0122	0.0122
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0013	0.0013
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0013	0.0013
Echinococcus granulosus	aldo keto reductase	0.2774	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.2774	1	1
Entamoeba histolytica	aldose reductase, putative	0.2774	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.2774	1	1
Loa Loa (eye worm)	oxidoreductase	0.2774	1	1
Toxoplasma gondii	aldose reductase, putative	0.2774	1	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0063	0.0122	0.0122
Brugia malayi	Nuclear hormone receptor-like 1	0.0033	0.0013	0.0013
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0063	0.0122	0.0122
Schistosoma mansoni	aldo-keto reductase	0.2774	1	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0063	0.0122	0.0122
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.2774	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0063	0.0122	0.0122
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.2774	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.2774	1	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.2774	1	1
Echinococcus multilocularis	aldehyde reductase	0.197	0.7072	0.7072
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.2774	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0063	0.0122	0.0122
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0063	0.0122	0.0122
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0063	0.0122	0.0122
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0122	0.0122
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0033	0.0013	0.0013
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.2774	1	1
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0063	0.0122	0.0122
Schistosoma mansoni	coup transcription factor	0.0063	0.0122	0.0122
Trichomonas vaginalis	aldo-keto reductase, putative	0.2774	1	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0063	0.0122	0.0122
Brugia malayi	Steroid receptor seven-up type 2	0.0063	0.0122	0.0122
Loa Loa (eye worm)	glutamate-cysteine ligase modifier subunit	0.0803	0.2819	0.2819
Loa Loa (eye worm)	hypothetical protein	0.012	0.0328	0.0328
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.2774	1	1
Loa Loa (eye worm)	steroid hormone receptor	0.0063	0.0122	0.0122
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0063	0.0122	0.0122
Loa Loa (eye worm)	oxidoreductase	0.2774	1	1
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0063	0.0122	0.0122
Loa Loa (eye worm)	oxidoreductase	0.2774	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.2774	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0063	0.0122	0.0122
Brugia malayi	ecdysteroid receptor	0.0063	0.0122	0.0122

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 5.9	Inhibition of human factor 10a	ChEMBL.	21443196

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: CHEMBL1766818

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1526459