TDR Targets

Basic information

Technical information

TDR Targets ID: 312025
Name: 5-chloro-N-(5-chloropyridin-2-yl)-2-[[4-(meth ylaminomethyl)benzoyl]amino]benzamide
MW: 429.299 | Formula: C21H18Cl2N4O2
H donors: 3 H acceptors: 3 LogP: 4.03 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CNCc1ccc(cc1)C(=O)Nc1ccc(cc1C(=O)Nc1ccc(cn1)Cl)Cl
InChi: 1S/C21H18Cl2N4O2/c1-24-11-13-2-4-14(5-3-13)20(28)26-18-8-6-15(22)10-17(18)21(29)27-19-9-7-16(23)12-25-19/h2-10,12,24H,11H2,1H3,(H,26,28)(H,25,27,29)
InChiKey: JCDNVUUQGUIZBU-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

5-chloro-N-(5-chloro-2-pyridyl)-2-[[4-(methylaminomethyl)benzoyl]amino]benzamide
5-chloro-N-(5-chloro-2-pyridyl)-2-[[[4-(methylaminomethyl)phenyl]-oxomethyl]amino]benzamide
5-chloro-N-(5-chloropyridin-2-yl)-2-[[4-(methylaminomethyl)phenyl]carbonylamino]benzamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	protease, serine, 1 (trypsin 1)	Starlite/ChEMBL	References
Homo sapiens	coagulation factor X	Starlite/ChEMBL	References
Homo sapiens	plasminogen activator, tissue	Starlite/ChEMBL	References
Homo sapiens	coagulation factor II (thrombin)	Starlite/ChEMBL	References
Homo sapiens	plasminogen	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 japonicum	ko:K09639 transmembrane protease, serine 8, putative	Get druggable targets OG5_126639	All targets in OG5_126639
Onchocerca volvulus		Get druggable targets OG5_126639	All targets in OG5_126639
Echinococcus granulosus	glycoprotein Antigen 5	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
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 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
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126639	All targets in OG5_126639
Echinococcus multilocularis	Mastin	Get druggable targets OG5_136757	All targets in OG5_136757
Onchocerca volvulus		Get druggable targets OG5_126639	All targets in OG5_126639
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126639	All targets in OG5_126639
Echinococcus granulosus	enteropeptidase	Get druggable targets OG5_136757	All targets in OG5_136757
Echinococcus multilocularis	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
Echinococcus multilocularis	glycoprotein Antigen 5	Get druggable targets OG5_136757	All targets in OG5_136757
Echinococcus granulosus	Mastin	Get druggable targets OG5_136757	All targets in OG5_136757

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
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
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0037	1
Brugia malayi	Dopamine receptor protein 2	0.0136	0.0037	1
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0136	0.0037	1
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0037	1
Brugia malayi	G protein-coupled receptor	0.0136	0.0037	1
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0136	0.0037	0.0037
Brugia malayi	putative neuropeptide receptor	0.0136	0.0037	1
Schistosoma mansoni	amine GPCR	0.0136	0.0037	0.0037
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0136	0.0037	1
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0037	1
Loa Loa (eye worm)	neuropeptide F receptor	0.0136	0.0037	1
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0037	1
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0037	1
Brugia malayi	hypothetical protein	0.0136	0.0037	1
Brugia malayi	hypothetical protein	0.0136	0.0037	1
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0037	1
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0037	1
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0037	1
Loa Loa (eye worm)	TYRA-2 protein	0.0136	0.0037	1
Schistosoma mansoni	amine GPCR	0.0136	0.0037	0.0037
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0037	1
Brugia malayi	hypothetical protein	0.0136	0.0037	1
Brugia malayi	G-protein coupled receptor	0.0136	0.0037	1
Schistosoma mansoni	neuropeptide receptor	0.0136	0.0037	0.0037
Schistosoma mansoni	neuropeptide receptor	0.0136	0.0037	0.0037
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0037	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0136	0.0037	0.0037
Brugia malayi	Dopamine receptor	0.0136	0.0037	1
Schistosoma mansoni	biogenic amine receptor	0.0136	0.0037	0.0037
Schistosoma mansoni	histamine h1 receptor	0.0136	0.0037	0.0037
Onchocerca volvulus		0.0136	0.0037	1
Schistosoma mansoni	neuropeptide receptor	0.0136	0.0037	0.0037
Schistosoma mansoni	myosin xvIII	0.0136	0.0037	0.0037
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0037	1
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0037	1
Onchocerca volvulus		0.0136	0.0037	1
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0037	1
Brugia malayi	Serotonin receptor	0.0136	0.0037	1
Loa Loa (eye worm)	neuropeptide F receptor	0.0136	0.0037	1
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0037	1
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0136	0.0037	0.0037
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0136	0.0037	0.0037
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0136	0.0037	0.0037
Schistosoma mansoni	biogenic amine receptor	0.0136	0.0037	0.0037
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0539	1	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0136	0.0037	0.0037
Brugia malayi	neuropeptide F receptor	0.0136	0.0037	1
Onchocerca volvulus		0.0136	0.0037	1
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0037	1
Onchocerca volvulus		0.0136	0.0037	1
Schistosoma mansoni	hypothetical protein	0.0136	0.0037	0.0037
Brugia malayi	hypothetical protein	0.0136	0.0037	1
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0037	1
Onchocerca volvulus		0.0136	0.0037	1
Schistosoma mansoni	neuropeptide F-like receptor	0.0136	0.0037	0.0037
Brugia malayi	Serotonin receptor	0.0136	0.0037	1
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0037	1
Schistosoma mansoni	opsin-like receptor	0.0136	0.0037	0.0037
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0136	0.0037	1
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0037	1
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0037	1
Onchocerca volvulus		0.0136	0.0037	1
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0136	0.0037	0.0037
Brugia malayi	GnHR receptor homolog	0.0136	0.0037	1
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0136	0.0037	1
Brugia malayi	larval opioid receptor	0.0136	0.0037	1
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0136	0.0037	0.0037
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0037	1
Brugia malayi	G protein-coupled receptor F59B2.13	0.0136	0.0037	1
Brugia malayi	hypothetical protein	0.0136	0.0037	1
Brugia malayi	hypothetical protein	0.0136	0.0037	1
Onchocerca volvulus		0.0136	0.0037	1
Loa Loa (eye worm)	G-protein coupled receptor	0.0136	0.0037	1
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0136	0.0037	1
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0136	0.0037	0.0037
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0136	0.0037	1
Loa Loa (eye worm)	G-protein coupled receptor	0.0136	0.0037	1
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0136	0.0037	0.0037
Schistosoma mansoni	neuropeptide F-like receptor	0.0136	0.0037	0.0037
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0037	1
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0037	1
Brugia malayi	putative neuropeptide receptor NPR1	0.0136	0.0037	1
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0037	1
Schistosoma mansoni	hypothetical protein	0.0136	0.0037	0.0037
Schistosoma mansoni	amine GPCR	0.0136	0.0037	0.0037
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0136	0.0037	0.0037
Schistosoma mansoni	neuropeptide f receptor 76f	0.0136	0.0037	0.0037
Schistosoma mansoni	amine GPCR	0.0313	0.4421	0.4421
Schistosoma mansoni	opsin-like receptor	0.0136	0.0037	0.0037
Onchocerca volvulus		0.0136	0.0037	1
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0037	1
Schistosoma mansoni	hypothetical protein	0.0136	0.0037	0.0037
Brugia malayi	ORL1-like opioid receptor	0.0136	0.0037	1
Brugia malayi	sulfakinin receptor protein	0.0136	0.0037	1
Schistosoma mansoni	adenoreceptor	0.0136	0.0037	0.0037
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0037	1
Onchocerca volvulus		0.0136	0.0037	1
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0136	0.0037	0.0037
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0037	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0136	0.0037	0.0037
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0136	0.0037	0.0037
Toxoplasma gondii	PAN domain-containing protein	0.0373	0.5913	0.5
Schistosoma mansoni	neuropeptide receptor	0.0136	0.0037	0.0037
Brugia malayi	hypothetical protein	0.0136	0.0037	1
Onchocerca volvulus		0.0136	0.0037	1
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0037	1
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0037	1
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0136	0.0037	0.0037
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0037	1
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0037	1
Brugia malayi	Melatonin receptor type 1A	0.0136	0.0037	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0136	0.0037	0.0037
Onchocerca volvulus		0.0136	0.0037	1
Brugia malayi	hypothetical protein	0.0136	0.0037	1
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0037	1
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0136	0.0037	0.0037
Loa Loa (eye worm)	melatonin receptor type 1A	0.0136	0.0037	1
Schistosoma mansoni	hypothetical protein	0.0136	0.0037	0.0037
Brugia malayi	follicle stimulating hormone receptor	0.0136	0.0037	1
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0136	0.0037	1
Brugia malayi	AKH receptor	0.0136	0.0037	1
Onchocerca volvulus		0.0136	0.0037	1
Toxoplasma gondii	PAN domain-containing protein	0.0373	0.5913	0.5
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0037	1
Schistosoma mansoni	biogenic amine receptor	0.0136	0.0037	0.0037
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0037	1
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0037	1
Onchocerca volvulus		0.0136	0.0037	1
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0037	1
Onchocerca volvulus		0.0136	0.0037	1
Onchocerca volvulus		0.0136	0.0037	1
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0037	1
Onchocerca volvulus		0.0136	0.0037	1
Schistosoma mansoni	amine GPCR	0.0136	0.0037	0.0037
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0136	0.0037	1
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0136	0.0037	0.0037
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0037	1
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0136	0.0037	1
Brugia malayi	RE15519p	0.0136	0.0037	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0136	0.0037	0.0037
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0037	1
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0539	1	1
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0136	0.0037	0.0037
Brugia malayi	neuropeptide F receptor	0.0136	0.0037	1
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0037	1
Schistosoma mansoni	growth hormone secretagogue receptor	0.0136	0.0037	0.0037
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0136	0.0037	0.0037
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0136	0.0037	1
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0037	1
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0136	0.0037	0.0037
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0037	1
Onchocerca volvulus		0.0136	0.0037	1
Brugia malayi	hypothetical protein	0.0136	0.0037	1
Brugia malayi	G-protein coupled receptor	0.0136	0.0037	1
Schistosoma mansoni	opsin-like receptor	0.0136	0.0037	0.0037
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0037	1
Brugia malayi	hypothetical protein	0.0136	0.0037	1
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0136	0.0037	0.0037
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0136	0.0037	1
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0037	1
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0037	1
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0037	1
Brugia malayi	Dopamine receptor protein 1	0.0136	0.0037	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0136	0.0037	0.0037
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0136	0.0037	1
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0136	0.0037	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 7 nM	In vitro inhibitory activity against coagulation factor X.	ChEMBL.	15013007
IC50 (binding)	= 7 nM	In vitro inhibitory activity against coagulation factor X.	ChEMBL.	15013007
IC50 (binding)	> 11 uM	Inhibitory activity against thrombin.	ChEMBL.	15013007
IC50 (binding)	> 11 uM	Inhibitory activity against tissue type plasminogen activator.	ChEMBL.	15013007
IC50 (binding)	> 11 uM	Inhibitory activity against trypsin.	ChEMBL.	15013007
IC50 (binding)	> 11 uM	Inhibitory activity against activated protein C	ChEMBL.	15013007
IC50 (binding)	> 11 uM	Inhibitory activity against plasmin.	ChEMBL.	15013007
IC50 (binding)	> 11 uM	Inhibitory activity against thrombin.	ChEMBL.	15013007
IC50 (binding)	> 11 uM	Inhibitory activity against tissue type plasminogen activator.	ChEMBL.	15013007
IC50 (binding)	> 11 uM	Inhibitory activity against trypsin.	ChEMBL.	15013007
IC50 (binding)	> 11 uM	Inhibitory activity against activated protein C	ChEMBL.	15013007
IC50 (binding)	> 11 uM	Inhibitory activity against plasmin.	ChEMBL.	15013007

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: CHEMBL425858
PubChem: 18727838

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 312025