TDR Targets

Basic information

Technical information

TDR Targets ID: 275475
Name: (E)-N'-benzyl-3-(4-chlorophenyl)prop-2-enimid amide
MW: 270.757 | Formula: C16H15ClN2
H donors: 1 H acceptors: 0 LogP: 3.84 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: N=C(NCc1ccccc1)/C=C/c1ccc(cc1)Cl
InChi: 1S/C16H15ClN2/c17-15-9-6-13(7-10-15)8-11-16(18)19-12-14-4-2-1-3-5-14/h1-11H,12H2,(H2,18,19)/b11-8+
InChiKey: SFCUSEWZEGWALW-DHZHZOJOSA-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

(E)-N'-benzyl-3-(4-chlorophenyl)prop-2-enamidine
(E)-N'-benzyl-3-(4-chlorophenyl)-2-propenamidine
(E)-3-(4-chlorophenyl)-N'-(phenylmethyl)prop-2-enimidamide
(E)-N'-benzyl-3-(4-chlorophenyl)acrylamidine
(E)-3-(4-chlorophenyl)-N'-(phenylmethyl)prop-2-enamidine
(E)-N'-(benzyl)-3-(4-chlorophenyl)acrylamidine

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	glutamate receptor, ionotropic, N-methyl D-aspartate 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	Glutamate [NMDA] receptor subunit zeta-1 precursor, putative	Get druggable targets OG5_133478	All targets in OG5_133478
Echinococcus granulosus	nmda type glutamate receptor	Get druggable targets OG5_133478	All targets in OG5_133478
Schistosoma japonicum	Glutamate [NMDA] receptor subunit zeta-1 precursor, putative	Get druggable targets OG5_133478	All targets in OG5_133478
Schistosoma japonicum	Glutamate [NMDA] receptor subunit zeta-1 precursor, putative	Get druggable targets OG5_133478	All targets in OG5_133478
Schistosoma japonicum	expressed protein	Get druggable targets OG5_133478	All targets in OG5_133478
Schistosoma mansoni	glutamate receptor NMDA	Get druggable targets OG5_133478	All targets in OG5_133478
Echinococcus granulosus	nmda type glutamate receptor	Get druggable targets OG5_133478	All targets in OG5_133478
Echinococcus multilocularis	nmda type glutamate receptor	Get druggable targets OG5_133478	All targets in OG5_133478
Echinococcus multilocularis	glutamate receptor NMDA	Get druggable targets OG5_133478	All targets in OG5_133478
Echinococcus multilocularis	nmda type glutamate receptor	Get druggable targets OG5_133478	All targets in OG5_133478
Echinococcus granulosus	glutamate receptor NMDA	Get druggable targets OG5_133478	All targets in OG5_133478

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
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0252	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0252	1	1
Plasmodium falciparum	aldo-keto reductase, putative	0.0073	0.1977	0.5
Plasmodium falciparum	aldehyde reductase, putative	0.0073	0.1977	0.5
Onchocerca volvulus		0.0252	1	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0252	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0252	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0252	1	1
Echinococcus multilocularis	nmda type glutamate receptor	0.01	0.3187	0.3187
Plasmodium vivax	aldehyde reductase, putative	0.0073	0.1977	0.5
Echinococcus granulosus	nmda type glutamate receptor	0.01	0.3187	0.3187
Schistosoma mansoni	pol-related	0.0252	1	1
Echinococcus multilocularis	glutamate receptor NMDA	0.0095	0.2981	0.2981
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0252	1	1
Loa Loa (eye worm)	oxidoreductase	0.0252	1	1
Echinococcus multilocularis	nmda type glutamate receptor	0.0104	0.3383	0.3383
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0252	1	1
Onchocerca volvulus		0.0252	1	1
Plasmodium vivax	oxidoreductase, aldo/keto reductase domain containing protein	0.0073	0.1977	0.5
Onchocerca volvulus		0.0252	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0252	1	1
Trypanosoma cruzi	aldo/keto reductase, putative	0.0252	1	1
Entamoeba histolytica	aldose reductase, putative	0.0252	1	1
Onchocerca volvulus		0.0252	1	1
Trichomonas vaginalis	aldo/keto reductase, putative	0.0252	1	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0252	1	1
Echinococcus multilocularis	aldo keto reductase	0.0252	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0252	1	1
Toxoplasma gondii	aldose reductase, putative	0.0252	1	1
Echinococcus multilocularis	aldo keto reductase	0.0252	1	1
Echinococcus granulosus	aldo keto reductase	0.0252	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0252	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0252	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0252	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0252	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0252	1	1
Trypanosoma brucei	aldo-keto reductase, putative	0.0252	1	1
Onchocerca volvulus		0.0252	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0252	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0252	1	1
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.0252	1	1
Echinococcus granulosus	aldo keto reductase family 1, member B4	0.0073	0.1977	0.1977
Trichomonas vaginalis	aldo-keto reductase, putative	0.0252	1	1
Giardia lamblia	Aldose reductase	0.0252	1	0.5
Echinococcus granulosus	voltage gated potassium channel subunit	0.0073	0.1977	0.1977
Onchocerca volvulus		0.0252	1	1
Giardia lamblia	Aldose reductase	0.0252	1	0.5
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0252	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0252	1	1
Echinococcus granulosus	glutamate receptor NMDA	0.0095	0.2981	0.2981
Echinococcus multilocularis	aldo keto reductase	0.0252	1	1
Loa Loa (eye worm)	oxidoreductase	0.0252	1	1
Echinococcus granulosus	nmda type glutamate receptor	0.0104	0.3383	0.3383
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0252	1	1
Trypanosoma cruzi	aldo-keto reductase	0.0252	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0252	1	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0252	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0252	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0252	1	1
Leishmania major	prostaglandin f synthase, putative	0.0252	1	1
Echinococcus granulosus	hypothetical protein	0.0252	1	1
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.0252	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0252	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0252	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0252	1	1
Loa Loa (eye worm)	oxidoreductase	0.0252	1	1
Trypanosoma brucei	prostaglandin f synthase	0.0252	1	1
Echinococcus multilocularis	aldehyde reductase	0.0179	0.6729	0.6729
Loa Loa (eye worm)	oxidoreductase	0.0252	1	1
Echinococcus multilocularis	aldo keto reductase	0.0252	1	1
Echinococcus granulosus	aldehyde reductase	0.0179	0.6729	0.6729
Mycobacterium ulcerans	oxidoreductase	0.0252	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0252	1	1
Echinococcus multilocularis	voltage gated potassium channel subunit	0.0073	0.1977	0.1977
Schistosoma mansoni	aldo-keto reductase	0.0252	1	1
Schistosoma mansoni	glutamate receptor NMDA	0.0124	0.4275	0.2864
Leishmania major	aldo-keto reductase-like protein	0.0252	1	1
Trichomonas vaginalis	aldo/keto reductase, putative	0.0252	1	1
Entamoeba histolytica	aldose reductase, putative	0.0252	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0252	1	1
Loa Loa (eye worm)	hypothetical protein	0.0252	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0252	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0252	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0252	1	1
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.0252	1	1
Entamoeba histolytica	aldose reductase, putative	0.0252	1	1
Echinococcus granulosus	aldo keto reductase	0.0252	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0252	1	1
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0252	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0252	1	1
Trichomonas vaginalis	aldo/keto reductase, putative	0.0252	1	1
Echinococcus granulosus	aldo keto reductase	0.0252	1	1
Schistosoma mansoni	aldo-keto reductase	0.0252	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0252	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0252	1	1
Mycobacterium leprae	Conserved hypothetical protein	0.0179	0.6729	0.5922
Trichomonas vaginalis	aldo-keto reductase, putative	0.0252	1	1
Loa Loa (eye worm)	oxidoreductase	0.0252	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 52 nM	Displacement of [3H]-ifenprodil binding to recombinant human NR1a/NR2B receptors expressed in L(tk-) cells	ChEMBL.	12639560
Ki (binding)	= 52 nM	Displacement of [3H]-ifenprodil binding to recombinant human NR1a/NR2B receptors expressed in L(tk-) cells	ChEMBL.	12639560

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

PubChem: 9921583

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 275475