TDR Targets

Basic information

Technical information

TDR Targets ID: 53443
Name: (E)-N,N-dicyclohexyl-3-[4-[(Z)-1,2-diphenylbu t-1-enyl]phenyl]prop-2-enamide
MW: 517.743 | Formula: C37H43NO
H donors: 0 H acceptors: 1 LogP: 10.64 Rotable bonds: 9
Rule of 5 violations (Lipinski): 2
SMILES: CC/C(=C(\c1ccccc1)/c1ccc(cc1)/C=C/C(=O)N(C1CCCCC1)C1CCCCC1)/c1ccccc1
InChi: 1S/C37H43NO/c1-2-35(30-15-7-3-8-16-30)37(31-17-9-4-10-18-31)32-26-23-29(24-27-32)25-28-36(39)38(33-19-11-5-12-20-33)34-21-13-6-14-22-34/h3-4,7-10,15-18,23-28,33-34H,2,5-6,11-14,19-22H2,1H3/b28-25+,37-35-
InChiKey: OUTLZIVALFMPOK-RGGNXYEOSA-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,N-dicyclohexyl-3-[4-[(Z)-1,2-diphenylbut-1-enyl]phenyl]-2-propenamide
(E)-N,N-dicyclohexyl-3-[4-[(Z)-1,2-diphenylbut-1-enyl]phenyl]acrylamide
(E)-N,N-dicyclohexyl-3-[4-[(Z)-1,2-di(phenyl)but-1-enyl]phenyl]prop-2-enamide
(E)-N,N-dicyclohexyl-3-[4-[(Z)-1,2-di(phenyl)but-1-enyl]phenyl]acrylamide

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0292	0.0648	0.1733
Giardia lamblia	GTOR	0.0292	0.0648	0.5
Echinococcus multilocularis	geminin	0.0165	0.0278	0.0153
Trypanosoma cruzi	hypothetical protein, conserved	0.1225	0.3362	1
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0147	0.0224	0.0444
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0292	0.0648	1
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.026	0.0554	0.8559
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0147	0.0224	0.346
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0186	0.0337	0.4552
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0292	0.0648	0.1733
Trichomonas vaginalis	PIKK family atypical protein kinase	0.026	0.0554	0.8361
Trichomonas vaginalis	conserved hypothetical protein	0.0113	0.0127	0.0857
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0282	0.0619	0.9495
Toxoplasma gondii	target of rapamycin (TOR), putative	0.028	0.0612	1
Schistosoma mansoni	hypothetical protein	0.0165	0.0278	0.2903
Trichomonas vaginalis	PIKK family atypical protein kinase	0.028	0.0612	0.9368
Trichomonas vaginalis	PIKK family atypical protein kinase	0.028	0.0612	0.9368
Trichomonas vaginalis	PIKK family atypical protein kinase	0.028	0.0612	0.9368
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0166	0.0281	0.3567
Trichomonas vaginalis	PIKK family atypical protein kinase	0.027	0.0583	0.8863
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.026	0.0554	0.0433
Trichomonas vaginalis	PIKK family atypical protein kinase	0.028	0.0612	0.9368
Trichomonas vaginalis	PIKK family atypical protein kinase	0.028	0.0612	0.9368
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0147	0.0224	0.256
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0282	0.0619	0.9558
Loa Loa (eye worm)	hypothetical protein	0.0113	0.0127	0.0857
Trichomonas vaginalis	PIKK family atypical protein kinase	0.027	0.0583	0.8865
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0292	0.0648	0.0316
Trichomonas vaginalis	PIKK family atypical protein kinase	0.026	0.0554	0.8361
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0147	0.0224	0.1862
Trichomonas vaginalis	PIKK family atypical protein kinase	0.027	0.0583	0.8865
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0282	0.0619	0.9495
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0292	0.0648	0.0527
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0147	0.0224	0.0444
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0282	0.0619	0.9495
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0164	0.0273	0.1259
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0292	0.0648	0.0527
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0292	0.0648	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.026	0.0554	0.8361
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0282	0.0619	0.0219
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0292	0.0648	1
Loa Loa (eye worm)	hypothetical protein	0.0164	0.0273	0.3417
Loa Loa (eye worm)	phosphatidylinositol 3	0.0292	0.0648	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0292	0.0648	1
Schistosoma mansoni	hypothetical protein	0.0165	0.0278	0.2903
Trichomonas vaginalis	PIKK family atypical protein kinase	0.026	0.0554	0.8361
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0282	0.0619	0.9495
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0292	0.0648	0.0316
Trichomonas vaginalis	PIKK family atypical protein kinase	0.027	0.0583	0.8863
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0273	0.059	0.8993
Loa Loa (eye worm)	phosphatidylinositol 3	0.026	0.0554	0.8361
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0292	0.0648	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0147	0.0224	0.256
Trichomonas vaginalis	PIKK family atypical protein kinase	0.027	0.0583	0.8865
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.026	0.0554	0.1449
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0147	0.0224	0.1862
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0166	0.0281	0.3567
Trichomonas vaginalis	PIKK family atypical protein kinase	0.027	0.0583	0.8863
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0292	0.0648	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.028	0.0612	0.9368
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0147	0.0224	0.256
Trichomonas vaginalis	PIKK family atypical protein kinase	0.028	0.0612	0.9368
Echinococcus granulosus	serine protein kinase ATM	0.0147	0.0224	0.0098
Trichomonas vaginalis	PIKK family atypical protein kinase	0.027	0.0583	0.8865
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0147	0.0224	0.0098
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0282	0.0619	0.9495
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0147	0.0224	0.1862
Loa Loa (eye worm)	hypothetical protein	0.0147	0.0224	0.256
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.026	0.0554	0.8559
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.026	0.0554	0.8207
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0292	0.0648	1
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.026	0.0554	0.1449
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0169	0.0289	0.3694
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0147	0.0224	0.1862
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0166	0.0281	0.3567
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0292	0.0648	1
Trypanosoma cruzi	target of rapamycin kinase 3	0.0282	0.0619	0.1646
Echinococcus multilocularis	serine protein kinase ATM	0.0147	0.0224	0.0098
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0147	0.0224	0.0098
Leishmania major	hypothetical protein, conserved	0.1275	0.3508	1
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0292	0.0648	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.026	0.0554	0.8207
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.026	0.0554	0.0433
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0179	0.0317	0.4199
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0273	0.059	0.8993
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0173	0.0302	0.4657
Trichomonas vaginalis	conserved hypothetical protein	0.0164	0.0273	0.3417
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.3506	1	1
Echinococcus granulosus	geminin	0.0165	0.0278	0.0153
Trichomonas vaginalis	PIKK family atypical protein kinase	0.026	0.0554	0.8361

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	= 70 nM	Concentration of compound required to induce 50 % of the maximum stimulation of alkaline phosphatase activity in Ishikawa cells	ChEMBL.	8201587
EC50 (functional)	= 70 nM	Concentration of compound required to induce 50 % of the maximum stimulation of alkaline phosphatase activity in Ishikawa cells	ChEMBL.	8201587
Emax (functional)	= 19.4 %	Maximum stimulation of alkaline phosphatase activity expressed as a percent of the maximum induced by 10 nM estradiol	ChEMBL.	8201587
Emax (functional)	= 19.4 %	Maximum stimulation of alkaline phosphatase activity expressed as a percent of the maximum induced by 10 nM estradiol	ChEMBL.	8201587

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	8201587

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: 9871260

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 53443