TDR Targets

Basic information

Technical information

TDR Targets ID: 1375210
Name: N-[(Z)-3-(3-imidazol-1-ylpropylamino)-3-oxo-1 -phenylprop-1-en-2-yl]-4-methoxybenzamide
MW: 404.462 | Formula: C23H24N4O3
H donors: 2 H acceptors: 3 LogP: 2.72 Rotable bonds: 11
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)C(=O)N/C(=C\c1ccccc1)/C(=O)NCCCn1cncc1
InChi: 1S/C23H24N4O3/c1-30-20-10-8-19(9-11-20)22(28)26-21(16-18-6-3-2-4-7-18)23(29)25-12-5-14-27-15-13-24-17-27/h2-4,6-11,13,15-17H,5,12,14H2,1H3,(H,25,29)(H,26,28)/b21-16-
InChiKey: ZFDBSDNWHLPBAN-PGMHBOJBSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

N-[(Z)-1-(3-imidazol-1-ylpropylcarbamoyl)-2-phenyl-vinyl]-4-methoxy-benzamide
N-[(Z)-1-[[3-(1-imidazolyl)propylamino]-oxomethyl]-2-phenylvinyl]-4-methoxybenzamide
N-[(Z)-3-(3-imidazol-1-ylpropylamino)-3-oxo-1-phenyl-prop-1-en-2-yl]-4-methoxy-benzamide
STOCK2S-82817
BAS 00781078
N-[1-(3-Imidazol-1-yl-propylcarbamoyl)-2-phenyl-vinyl]-4-methoxy-benzamide
ZINC04726090

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	ataxin 2	Starlite/ChEMBL	No references
Homo sapiens	TAR DNA binding protein	Starlite/ChEMBL	No references
Homo sapiens	glycoprotein hormones, alpha polypeptide	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA recognition motif domain containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus granulosus	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Toxoplasma gondii	intraflagellar transport protein 172, putative	glycoprotein hormones, alpha polypeptide	116 aa	94 aa	26.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	acetylcholinesterase	0.7122	1	1
Echinococcus granulosus	carboxylesterase 5A	0.7122	1	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.1203	0.1599	0.1599
Echinococcus multilocularis	BC026374 protein (S09 family)	0.1203	0.1599	0.1599
Brugia malayi	Eukaryotic aspartyl protease family protein	0.0154	0.011	0.011
Plasmodium vivax	aspartyl proteinase, putative	0.0154	0.011	0.5
Schistosoma mansoni	cathepsin D (A01 family)	0.0154	0.011	0.011
Plasmodium vivax	plasmepsin V, putative	0.0154	0.011	0.5
Plasmodium falciparum	plasmepsin VI	0.0154	0.011	0.5
Plasmodium falciparum	plasmepsin II	0.0154	0.011	0.5
Schistosoma mansoni	neuroligin 3 (S09 family)	0.1203	0.1599	0.1599
Plasmodium vivax	aspartyl protease, putative	0.0154	0.011	0.5
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0154	0.011	0.011
Plasmodium vivax	aspartyl proteinase, putative	0.0154	0.011	0.5
Onchocerca volvulus		0.1203	0.1599	1
Loa Loa (eye worm)	hypothetical protein	0.1203	0.1599	0.1599
Plasmodium falciparum	plasmepsin IV	0.0154	0.011	0.5
Plasmodium falciparum	plasmepsin V	0.0154	0.011	0.5
Plasmodium falciparum	plasmepsin X	0.0154	0.011	0.5
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	0.0154	0.011	0.011
Toxoplasma gondii	aspartyl protease ASP3	0.0154	0.011	0.5
Echinococcus multilocularis	acetylcholinesterase	0.7122	1	1
Onchocerca volvulus		0.1203	0.1599	1
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.1203	0.1599	0.5
Plasmodium falciparum	plasmepsin VII	0.0154	0.011	0.5
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	0.0154	0.011	0.011
Mycobacterium tuberculosis	Carboxylesterase LipT	0.1203	0.1599	0.5
Loa Loa (eye worm)	hypothetical protein	0.1203	0.1599	0.1599
Plasmodium vivax	aspartyl protease, putative	0.0154	0.011	0.5
Echinococcus granulosus	para nitrobenzyl esterase	0.1203	0.1599	0.1599
Echinococcus multilocularis	carboxylesterase 5A	0.7122	1	1
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0154	0.011	0.011
Schistosoma mansoni	BC026374 protein (S09 family)	0.1203	0.1599	0.1599
Brugia malayi	hypothetical protein	0.1203	0.1599	0.1599
Brugia malayi	aspartic protease BmAsp-1, identical	0.0154	0.011	0.011
Mycobacterium ulcerans	carboxylesterase, LipT	0.1203	0.1599	0.5
Loa Loa (eye worm)	carboxylesterase	0.1203	0.1599	0.1599
Brugia malayi	Carboxylesterase family protein	0.1203	0.1599	0.1599
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0154	0.011	0.011
Toxoplasma gondii	aspartyl protease ASP1	0.0154	0.011	0.5
Onchocerca volvulus		0.1203	0.1599	1
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.1203	0.1599	0.1599
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.7122	1	1
Loa Loa (eye worm)	hypothetical protein	0.0154	0.011	0.011
Toxoplasma gondii	aspartyl protease	0.0154	0.011	0.5
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0154	0.011	0.011
Loa Loa (eye worm)	acetylcholinesterase 1	0.7122	1	1
Brugia malayi	hypothetical protein	0.0154	0.011	0.011
Brugia malayi	Carboxylesterase family protein	0.1203	0.1599	0.1599
Brugia malayi	Carboxylesterase family protein	0.1203	0.1599	0.1599
Brugia malayi	hypothetical protein	0.0154	0.011	0.011
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.1203	0.1599	0.1599
Loa Loa (eye worm)	carboxylesterase	0.1203	0.1599	0.1599
Loa Loa (eye worm)	hypothetical protein	0.0154	0.011	0.011
Echinococcus granulosus	BC026374 protein S09 family	0.1203	0.1599	0.1599
Brugia malayi	Carboxylesterase family protein	0.7122	1	1
Loa Loa (eye worm)	aspartic protease BmAsp-1	0.0154	0.011	0.011
Onchocerca volvulus		0.1203	0.1599	1
Echinococcus multilocularis	acetylcholinesterase	0.7122	1	1
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.1203	0.1599	1
Toxoplasma gondii	eukaryotic aspartyl protease superfamily protein	0.0154	0.011	0.5
Echinococcus multilocularis	neuroligin	0.1203	0.1599	0.1599
Plasmodium vivax	aspartyl protease, putative	0.0154	0.011	0.5
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.1203	0.1599	0.5
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0154	0.011	0.011
Plasmodium falciparum	plasmepsin I	0.0154	0.011	0.5
Loa Loa (eye worm)	hypothetical protein	0.0154	0.011	0.011
Plasmodium vivax	plasmepsin IV, putative	0.0154	0.011	0.5
Trichomonas vaginalis	spcc417.12 protein, putative	0.1203	0.1599	1
Brugia malayi	Carboxylesterase family protein	0.1203	0.1599	0.1599
Loa Loa (eye worm)	aspartyl protease 6	0.0154	0.011	0.011
Plasmodium falciparum	plasmepsin IX	0.0154	0.011	0.5
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0154	0.011	0.011
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0154	0.011	0.011
Loa Loa (eye worm)	hypothetical protein	0.1203	0.1599	0.1599
Onchocerca volvulus		0.1203	0.1599	1
Loa Loa (eye worm)	carboxylesterase	0.7122	1	1
Schistosoma mansoni	gliotactin	0.1203	0.1599	0.1599
Echinococcus multilocularis	para nitrobenzyl esterase	0.1203	0.1599	0.1599
Echinococcus granulosus	acetylcholinesterase	0.7122	1	1
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.1203	0.1599	0.1599
Loa Loa (eye worm)	hypothetical protein	0.1203	0.1599	0.1599
Loa Loa (eye worm)	hypothetical protein	0.1203	0.1599	0.1599
Schistosoma mansoni	cathepsin D (A01 family)	0.0154	0.011	0.011
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.1203	0.1599	0.1599
Loa Loa (eye worm)	hypothetical protein	0.1203	0.1599	0.1599
Toxoplasma gondii	aspartyl proteinase (eimepsin), putative	0.0154	0.011	0.5
Plasmodium falciparum	plasmepsin VIII, putative	0.0154	0.011	0.5
Loa Loa (eye worm)	aspartic protease BmAsp-2	0.0154	0.011	0.011
Brugia malayi	aspartic protease BmAsp-2, identical	0.0154	0.011	0.011
Plasmodium falciparum	plasmepsin III	0.0154	0.011	0.5
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0154	0.011	0.011
Brugia malayi	Pepsin A precursor	0.0154	0.011	0.011
Loa Loa (eye worm)	hypothetical protein	0.7122	1	1
Loa Loa (eye worm)	hypothetical protein	0.7122	1	1
Schistosoma mansoni	acetylcholinesterase	0.1203	0.1599	0.1599
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0154	0.011	0.011
Loa Loa (eye worm)	hypothetical protein	0.1203	0.1599	0.1599
Schistosoma mansoni	memapsin-2 (A01 family)	0.3841	0.5343	0.5343
Echinococcus granulosus	neuroligin	0.1203	0.1599	0.1599

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	5.9728 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	6.3096 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	10 uM	PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	11.6891 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	14.7157 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	= 35.4813 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	44.6684 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1503198

Bibliographic References

No literature references available for this target.

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

Detailed information for compound 1375210