TDR Targets

Basic information

Technical information

TDR Targets ID: 274780
Name: (E)-N'-benzyl-3-cyclohexylprop-2-enimidamide
MW: 242.359 | Formula: C16H22N2
H donors: 1 H acceptors: 0 LogP: 4.12 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: N=C(/C=C/C1CCCCC1)NCc1ccccc1
InChi: 1S/C16H22N2/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15/h2,5-6,9-12,14H,1,3-4,7-8,13H2,(H2,17,18)/b12-11+
InChiKey: XEJXHQIZSDVPSX-VAWYXSNFSA-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-cyclohexyl-prop-2-enamidine
(E)-N'-benzyl-3-cyclohexyl-2-propenamidine
(E)-3-cyclohexyl-N'-(phenylmethyl)prop-2-enimidamide
(E)-N'-benzyl-3-cyclohexyl-acrylamidine
(E)-3-cyclohexyl-N'-(phenylmethyl)prop-2-enamidine
(E)-N'-(benzyl)-3-cyclohexyl-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
Echinococcus granulosus	glutamate receptor NMDA	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
Echinococcus multilocularis	nmda type glutamate receptor	Get druggable targets OG5_133478	All targets in OG5_133478
Schistosoma japonicum	expressed protein	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	glutamate receptor NMDA	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
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
Schistosoma mansoni	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	suppression of tumorigenicity 18 protein	0.0059	0.1109	0.172
Echinococcus granulosus	polycomb protein SCMH1	0.0052	0.086	0.1311
Brugia malayi	jmjC domain containing protein	0.0123	0.3328	0.9788
Echinococcus granulosus	histone acetyltransferase MYST2	0.0059	0.1109	0.172
Toxoplasma gondii	histone lysine demethylase JMJC1/KDM5D/JARID1D	0.0033	0.0198	0.5
Brugia malayi	jmjC domain containing protein	0.0033	0.0198	0.0583
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0508	0.0967
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0654	0.1424
Schistosoma mansoni	hypothetical protein	0.0044	0.0597	0.0407
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0039	0.0416	0.0582
Schistosoma mansoni	hypothetical protein	0.0044	0.0597	0.0407
Echinococcus multilocularis	JmjC domain containing protein 4	0.0033	0.0198	0.0225
Onchocerca volvulus		0.0052	0.086	0.5
Echinococcus granulosus	lysine specific demethylase 6a	0.0033	0.0198	0.0225
Schistosoma mansoni	bromodomain containing protein	0.0069	0.1448	0.1275
Echinococcus multilocularis	Jumonji, AT rich interactive domain 1B	0.0035	0.027	0.0343
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0123	0.3328	0.5363
Plasmodium vivax	JmjC domain containing protein	0.0033	0.0198	0.5
Leishmania major	hypothetical protein, conserved	0.0033	0.0198	0.5
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0107	0.2775	0.5
Brugia malayi	Bromodomain containing protein	0.0082	0.189	0.5558
Loa Loa (eye worm)	mbt repeat family protein	0.0052	0.086	0.2066
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0597	0.1246
Echinococcus multilocularis	nmda type glutamate receptor	0.01	0.2526	0.4047
Trypanosoma brucei	JmjC domain, hydroxylase, putative	0.0033	0.0198	0.5
Echinococcus multilocularis	jumonji domain containing 1A	0.0033	0.0198	0.0225
Loa Loa (eye worm)	hypothetical protein	0.0052	0.086	0.2066
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0052	0.086	0.0675
Echinococcus multilocularis	protein patched	0.0046	0.0654	0.0974
Brugia malayi	jmjC domain containing protein	0.0033	0.0198	0.0583
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0059	0.1109	0.172
Trichomonas vaginalis	conserved hypothetical protein	0.0046	0.0654	0.5
Brugia malayi	mbt repeat family protein	0.0052	0.086	0.2529
Loa Loa (eye worm)	hypothetical protein	0.0059	0.1109	0.2844
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0065	0.1313	0.2055
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0059	0.1109	0.3261
Echinococcus multilocularis	lysine specific demethylase 5A	0.0123	0.3328	0.5363
Echinococcus granulosus	phd:f box containing protein	0.0033	0.0198	0.0225
Loa Loa (eye worm)	hypothetical protein	0.0077	0.1728	0.4779
Echinococcus granulosus	Protein patched homolog 1	0.0046	0.0654	0.0974
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0125	0.34	0.3266
Schistosoma mansoni	hypothetical protein	0.0044	0.0597	0.0407
Echinococcus multilocularis	nmda type glutamate receptor	0.0104	0.2678	0.4296
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0109	0.2832	0.2687
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0046	0.0654	0.1424
Brugia malayi	jmjC domain containing protein	0.0033	0.0198	0.0583
Schistosoma mansoni	jumonji domain containing protein	0.0123	0.3328	0.3193
Plasmodium falciparum	JmjC domain-containing protein, putative	0.0033	0.0198	0.5
Echinococcus granulosus	expressed conserved protein	0.0101	0.2549	0.4085
Loa Loa (eye worm)	MBCTL1	0.0059	0.1109	0.2844
Schistosoma mansoni	sex comb on midleg homolog	0.0052	0.086	0.0675
Schistosoma mansoni	sex comb on midleg homolog	0.0052	0.086	0.0675
Loa Loa (eye worm)	hypothetical protein	0.0107	0.2775	0.8047
Echinococcus multilocularis	polycomb protein SCMH1	0.0052	0.086	0.1311
Echinococcus multilocularis	phd:f box containing protein	0.0033	0.0198	0.0225
Echinococcus granulosus	nmda type glutamate receptor	0.01	0.2526	0.4047
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0059	0.1109	0.172
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0669	0.1471
Echinococcus granulosus	Niemann Pick C1 protein	0.0107	0.2775	0.4455
Schistosoma mansoni	glutamate receptor NMDA	0.0124	0.3367	0.3233
Echinococcus granulosus	Niemann Pick C1 protein	0.0153	0.4369	0.7072
Echinococcus multilocularis	Niemann Pick C1 protein	0.0153	0.4369	0.7072
Echinococcus granulosus	lysine specific demethylase 5A	0.0125	0.34	0.5482
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0125	0.34	0.3266
Echinococcus multilocularis	sterol regulatory element binding protein	0.0046	0.0654	0.0974
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0039	0.0416	0.0582
Echinococcus multilocularis	lysine specific demethylase 6a	0.0033	0.0198	0.0225
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0204	0.6152	1
Brugia malayi	jmjC domain containing protein	0.0125	0.34	1
Echinococcus multilocularis	expressed conserved protein	0.0101	0.2549	0.4085
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0204	0.6152	1
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0123	0.3328	0.5363
Schistosoma mansoni	patched 1	0.0046	0.0654	0.0465
Echinococcus granulosus	nmda type glutamate receptor	0.0104	0.2678	0.4296
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0065	0.1313	0.2055
Brugia malayi	mbt repeat family protein	0.0052	0.086	0.2529
Echinococcus granulosus	glutamate receptor NMDA	0.0095	0.2366	0.3785
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0059	0.1109	0.0929
Loa Loa (eye worm)	jmjC domain-containing protein	0.0125	0.34	1
Echinococcus granulosus	Jumonji AT rich interactive domain 1B	0.0035	0.027	0.0343
Echinococcus multilocularis	glutamate receptor NMDA	0.0095	0.2366	0.3785
Trypanosoma cruzi	JmjC domain, hydroxylase, putative	0.0033	0.0198	0.5
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0052	0.086	0.5
Echinococcus granulosus	JmjC domain containing protein 4	0.0033	0.0198	0.0225
Trypanosoma cruzi	JmjC domain, hydroxylase, putative	0.0033	0.0198	0.5
Brugia malayi	jmjC domain containing protein	0.0033	0.0198	0.0583
Echinococcus granulosus	jumonji domain containing 1A	0.0033	0.0198	0.0225
Brugia malayi	Bromodomain containing protein	0.0042	0.0505	0.1486
Echinococcus multilocularis	protein dispatched 1	0.0052	0.0879	0.1344
Brugia malayi	Niemann-Pick C1 protein precursor	0.0107	0.2775	0.8161
Echinococcus granulosus	SAM and MBT domain containing protein	0.0052	0.086	0.1311
Schistosoma mansoni	hypothetical protein	0.0044	0.0597	0.0407
Toxoplasma gondii	histone lysine demethylase JMJD6a	0.0033	0.0198	0.5
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0052	0.086	0.1311
Echinococcus granulosus	sterol regulatory element binding protein	0.0046	0.0654	0.0974
Brugia malayi	CHE-14 protein	0.0046	0.0654	0.1924
Echinococcus multilocularis	Niemann Pick C1 protein	0.0107	0.2775	0.4455
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1013	0.2544

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 19 nM	Displacement of [3H]-ifenprodil binding to recombinant human NR1a/NR2B receptors expressed in L(tk-) cells	ChEMBL.	12639560
Ki (binding)	= 19 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: 9899581

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 274780