TDR Targets

Basic information

Technical information

TDR Targets ID: 1003471
Name: (E)-3-(4-chlorophenyl)-1-(4-pyrrol-1-ylphenyl )prop-2-en-1-one
MW: 307.774 | Formula: C19H14ClNO
H donors: 0 H acceptors: 1 LogP: 4.72 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1ccc(cc1)n1cccc1)/C=C/c1ccc(cc1)Cl
InChi: 1S/C19H14ClNO/c20-17-8-3-15(4-9-17)5-12-19(22)16-6-10-18(11-7-16)21-13-1-2-14-21/h1-14H/b12-5+
InChiKey: SVGWSQQYSMINGG-LFYBBSHMSA-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

(E)-3-(4-chlorophenyl)-1-[4-(1-pyrrolyl)phenyl]prop-2-en-1-one

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
Onchocerca volvulus		0.065	1	1
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0036	0.0015	0.5
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0015	1
Brugia malayi	EGF-like domain containing protein	0.021	0.2844	0.2844
Echinococcus granulosus	neural cadherin	0.021	0.2844	0.2844
Loa Loa (eye worm)	hypothetical protein	0.021	0.2844	0.2844
Echinococcus multilocularis	neurogenic locus notch protein	0.021	0.2844	0.2844
Loa Loa (eye worm)	hypothetical protein	0.021	0.2844	0.2844
Echinococcus multilocularis	neurogenic locus notch protein	0.021	0.2844	0.2844
Loa Loa (eye worm)	hypothetical protein	0.0649655	0.5	0.5
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0036	0.0015	0.0052
Loa Loa (eye worm)	hypothetical protein	0.0649655	0.5	0.5
Brugia malayi	EGF-like domain containing protein	0.021	0.2844	0.2844
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0015	1
Brugia malayi	Animal haem peroxidase family protein	0.0649655	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.021	0.2844	0.2844
Onchocerca volvulus	Peroxidasin homolog	0.065	1	1
Echinococcus multilocularis	inositol monophosphatase 1	0.0036	0.0015	0.0015
Schistosoma mansoni	peroxidasin	0.065	1	1
Brugia malayi	EGF-like domain containing protein	0.021	0.2844	0.2844
Onchocerca volvulus		0.065	1	1
Schistosoma mansoni	peroxidasin	0.065	1	1
Brugia malayi	Inositol-1	0.0036	0.0015	0.0015
Onchocerca volvulus	Peroxidasin homolog	0.0649655	0.5	0.5
Echinococcus granulosus	protein jagged 2	0.021	0.2844	0.2844
Loa Loa (eye worm)	hypothetical protein	0.021	0.2844	0.2844
Trichomonas vaginalis	inositol monophosphatase, putative	0.0036	0.0015	1
Brugia malayi	Blistered cuticle protein 3	0.065	1	1
Echinococcus granulosus	neurogenic locus notch protein 4	0.021	0.2844	0.2844
Brugia malayi	Animal haem peroxidase family protein	0.065	1	1
Onchocerca volvulus	Peroxidase homolog	0.065	1	1
Echinococcus granulosus	slit 2 protein	0.021	0.2844	0.2844
Schistosoma mansoni	hypothetical protein	0.021	0.2844	0.2844
Echinococcus multilocularis	peroxidasin	0.0649655	0.5	0.5
Schistosoma mansoni	hypothetical protein	0.021	0.2844	0.2844
Onchocerca volvulus		0.0649655	0.5	0.5
Echinococcus granulosus	delta-like protein 1	0.021	0.2844	0.2844
Schistosoma mansoni	hypothetical protein	0.021	0.2844	0.2844
Loa Loa (eye worm)	hypothetical protein	0.0649655	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.021	0.2844	0.2844
Echinococcus multilocularis	protein jagged 2	0.021	0.2844	0.2844
Schistosoma mansoni	hypothetical protein	0.0165	0.2116	0.2116
Echinococcus granulosus	notch	0.021	0.2844	0.2844
Loa Loa (eye worm)	hypothetical protein	0.065	1	1
Echinococcus multilocularis	geminin	0.0165	0.2116	0.2116
Loa Loa (eye worm)	hypothetical protein	0.021	0.2844	0.2844
Loa Loa (eye worm)	hypothetical protein	0.0649655	0.5	0.5
Schistosoma mansoni	inositol monophosphatase	0.0036	0.0015	0.0015
Brugia malayi	notch-like transmembrane receptor	0.021	0.2844	0.2844
Loa Loa (eye worm)	hypothetical protein	0.021	0.2844	0.2844
Schistosoma mansoni	Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)]	0.021	0.2844	0.2844
Schistosoma mansoni	notch	0.021	0.2844	0.2844
Brugia malayi	Animal haem peroxidase family protein	0.065	1	1
Loa Loa (eye worm)	hypothetical protein	0.021	0.2844	0.2844
Onchocerca volvulus	Peroxidase homolog	0.0649655	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.021	0.2844	0.2844
Echinococcus granulosus	peroxidasin	0.0649655	0.5	0.5
Schistosoma mansoni	septate junction protein	0.021	0.2844	0.2844
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0224	0.3077	1
Mycobacterium leprae	Probable lipase LipE	0.0035	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.021	0.2844	0.2844
Loa Loa (eye worm)	animal heme peroxidase	0.065	1	1
Loa Loa (eye worm)	hypothetical protein	0.065	1	1
Loa Loa (eye worm)	blistered cuticle protein 3	0.0649655	0.5	0.5
Echinococcus granulosus	fibropellin Ia	0.021	0.2844	0.2844
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0036	0.0015	1
Schistosoma mansoni	hypothetical protein	0.021	0.2844	0.2844
Brugia malayi	Animal haem peroxidase family protein	0.065	1	1
Echinococcus multilocularis	peroxidasin	0.065	1	1
Loa Loa (eye worm)	animal heme peroxidase	0.065	1	1
Onchocerca volvulus		0.0649655	0.5	0.5
Loa Loa (eye worm)	animal heme peroxidase	0.0649655	0.5	0.5
Brugia malayi	Animal haem peroxidase family protein	0.0649655	0.5	0.5
Schistosoma mansoni	notch	0.021	0.2844	0.2844
Schistosoma mansoni	notch	0.021	0.2844	0.2844
Schistosoma mansoni	hypothetical protein	0.021	0.2844	0.2844
Brugia malayi	EGF-like domain containing protein	0.021	0.2844	0.2844
Schistosoma mansoni	hypothetical protein	0.021	0.2844	0.2844
Loa Loa (eye worm)	hypothetical protein	0.021	0.2844	0.2844
Loa Loa (eye worm)	inositol-1	0.0036	0.0015	0.0015
Onchocerca volvulus	Neurogenic locus notch protein homolog	0.021	0.2844	0.2844
Loa Loa (eye worm)	hypothetical protein	0.021	0.2844	0.2844
Brugia malayi	Animal haem peroxidase family protein	0.065	1	1
Loa Loa (eye worm)	notch protein	0.021	0.2844	0.2844
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.022	0.022
Loa Loa (eye worm)	hypothetical protein	0.065	1	1
Schistosoma mansoni	hypothetical protein	0.0165	0.2116	0.2116
Echinococcus multilocularis	neural cadherin	0.021	0.2844	0.2844
Onchocerca volvulus	Putative cubilin	0.021	0.2844	0.2844
Onchocerca volvulus	Chorion peroxidase homolog	0.0649655	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.065	1	1
Echinococcus granulosus	peroxidasin	0.065	1	1
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.021	0.2844	0.2844
Loa Loa (eye worm)	hypothetical protein	0.065	1	1
Echinococcus granulosus	inositol monophosphatase 1	0.0036	0.0015	0.0015
Loa Loa (eye worm)	hypothetical protein	0.021	0.2844	0.2844
Echinococcus multilocularis	neurogenic locus notch protein 4	0.021	0.2844	0.2844
Brugia malayi	Muscle positioning protein 4	0.021	0.2844	0.2844
Loa Loa (eye worm)	hypothetical protein	0.021	0.2844	0.2844
Schistosoma mansoni	laminin gamma-3 chain	0.021	0.2844	0.2844
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0036	0.0015	0.5
Loa Loa (eye worm)	hypothetical protein	0.0649655	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.021	0.2844	0.2844
Loa Loa (eye worm)	hypothetical protein	0.065	1	1
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0015	1
Echinococcus granulosus	geminin	0.0165	0.2116	0.2116
Loa Loa (eye worm)	hypothetical protein	0.065	1	1
Echinococcus granulosus	protein jagged 1	0.021	0.2844	0.2844
Schistosoma mansoni	cell polarity protein	0.021	0.2844	0.2844
Loa Loa (eye worm)	blistered cuticle protein 3	0.065	1	1
Loa Loa (eye worm)	hypothetical protein	0.021	0.2844	0.2844
Echinococcus multilocularis	neurogenic locus protein delta	0.021	0.2844	0.2844
Brugia malayi	hypothetical protein	0.0649655	0.5	0.5
Onchocerca volvulus	Slit protein homolog	0.021	0.2844	0.2844
Echinococcus granulosus	neurogenic locus notch protein	0.021	0.2844	0.2844
Loa Loa (eye worm)	hypothetical protein	0.065	1	1
Brugia malayi	Calcium binding EGF domain containing protein	0.021	0.2844	0.2844
Echinococcus multilocularis	fibropellin Ia	0.021	0.2844	0.2844
Loa Loa (eye worm)	hypothetical protein	0.065	1	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.022	0.022
Brugia malayi	Calcium binding EGF domain containing protein	0.021	0.2844	0.2844
Mycobacterium leprae	conserved hypothetical protein	0.0035	0	0.5
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0036	0.0015	1
Brugia malayi	Cadherin domain containing protein	0.021	0.2844	0.2844
Brugia malayi	Peroxidasin	0.0649655	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.0649655	0.5	0.5
Giardia lamblia	High cysteine protein	0.021	0.2844	0.5
Brugia malayi	Calcium binding EGF domain containing protein	0.021	0.2844	0.2844
Onchocerca volvulus		0.021	0.2844	0.2844
Loa Loa (eye worm)	hypothetical protein	0.0649655	0.5	0.5
Onchocerca volvulus	Chorion peroxidase homolog	0.065	1	1
Loa Loa (eye worm)	hypothetical protein	0.0649655	0.5	0.5
Loa Loa (eye worm)	animal heme peroxidase	0.065	1	1
Onchocerca volvulus	Dual oxidase homolog	0.065	1	1
Loa Loa (eye worm)	animal heme peroxidase	0.0649655	0.5	0.5
Onchocerca volvulus		0.065	1	1
Schistosoma mansoni	peroxidasin	0.0649655	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.0049	0.022	0.022
Onchocerca volvulus		0.0649655	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.0649655	0.5	0.5
Brugia malayi	Animal haem peroxidase family protein	0.065	1	1
Loa Loa (eye worm)	hypothetical protein	0.021	0.2844	0.2844
Schistosoma mansoni	slit	0.021	0.2844	0.2844
Loa Loa (eye worm)	hypothetical protein	0.065	1	1
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0036	0.0015	1
Echinococcus multilocularis	protein jagged 1	0.021	0.2844	0.2844
Echinococcus multilocularis	slit 2 protein	0.021	0.2844	0.2844
Onchocerca volvulus	Neurogenic locus notch homolog	0.021	0.2844	0.2844
Brugia malayi	Peroxidasin	0.065	1	1
Loa Loa (eye worm)	hypothetical protein	0.0649655	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.021	0.2844	0.2844
Loa Loa (eye worm)	animal heme peroxidase	0.0649655	0.5	0.5
Schistosoma mansoni	notch	0.021	0.2844	0.2844
Loa Loa (eye worm)	hypothetical protein	0.065	1	1
Loa Loa (eye worm)	hypothetical protein	0.065	1	1
Loa Loa (eye worm)	hypothetical protein	0.021	0.2844	0.2844
Schistosoma mansoni	inositol monophosphatase	0.0036	0.0015	0.0015
Brugia malayi	Delta serrate ligand family protein	0.021	0.2844	0.2844
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.022	0.022
Loa Loa (eye worm)	animal heme peroxidase	0.0649655	0.5	0.5
Plasmodium vivax	hypothetical protein, conserved	0.0035	0	0.5
Onchocerca volvulus	Peroxidasin homolog	0.065	1	1
Schistosoma mansoni	hypothetical protein	0.021	0.2844	0.2844
Brugia malayi	EGF-like domain containing protein	0.021	0.2844	0.2844
Toxoplasma gondii	EGF family domain-containing protein	0.021	0.2844	1
Loa Loa (eye worm)	animal heme peroxidase	0.065	1	1
Echinococcus multilocularis	protein jagged 1	0.021	0.2844	0.2844
Onchocerca volvulus		0.021	0.2844	0.2844
Loa Loa (eye worm)	hypothetical protein	0.065	1	1
Onchocerca volvulus	Dual oxidase homolog	0.0649655	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.065	1	1
Brugia malayi	Animal haem peroxidase family protein	0.0649655	0.5	0.5
Schistosoma mansoni	peroxidasin	0.0649655	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.021	0.2844	0.2844
Loa Loa (eye worm)	hypothetical protein	0.0649655	0.5	0.5
Onchocerca volvulus	Peroxidasin homolog	0.0649655	0.5	0.5
Brugia malayi	Blistered cuticle protein 3	0.0649655	0.5	0.5
Onchocerca volvulus		0.021	0.2844	0.2844
Echinococcus multilocularis	fat cadherin tumor suppressor	0.021	0.2844	0.2844
Echinococcus granulosus	protein jagged 1	0.021	0.2844	0.2844
Loa Loa (eye worm)	hypothetical protein	0.0649655	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.0649655	0.5	0.5
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0015	1
Echinococcus multilocularis	neurogenic locus protein delta	0.021	0.2844	0.2844
Onchocerca volvulus		0.021	0.2844	0.2844
Brugia malayi	Cadherin domain containing protein	0.021	0.2844	0.2844
Onchocerca volvulus	Peroxidase homolog	0.065	1	1
Loa Loa (eye worm)	Notch2	0.021	0.2844	0.2844
Brugia malayi	Animal haem peroxidase family protein	0.0649655	0.5	0.5
Brugia malayi	GCC2 and GCC3 family protein	0.021	0.2844	0.2844
Loa Loa (eye worm)	hypothetical protein	0.0649655	0.5	0.5
Schistosoma mansoni	notch	0.021	0.2844	0.2844
Echinococcus granulosus	protein jagged 2	0.021	0.2844	0.2844
Onchocerca volvulus		0.021	0.2844	0.2844
Brugia malayi	Animal haem peroxidase family protein	0.0649655	0.5	0.5
Echinococcus granulosus	neurogenic locus protein delta	0.021	0.2844	0.2844
Loa Loa (eye worm)	hypothetical protein	0.021	0.2844	0.2844
Echinococcus multilocularis	notch	0.021	0.2844	0.2844
Onchocerca volvulus	Peroxidase homolog	0.0649655	0.5	0.5
Brugia malayi	EGF-like domain containing protein	0.021	0.2844	0.2844
Brugia malayi	EGF-like domain containing protein	0.021	0.2844	0.2844
Loa Loa (eye worm)	hypothetical protein	0.021	0.2844	0.2844
Echinococcus granulosus	neurogenic locus notch protein	0.021	0.2844	0.2844
Schistosoma mansoni	notch	0.021	0.2844	0.2844

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)	= 48.8 %	Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum 3D7 infected in type B+ human erythrocytes assessed as reduction of hemozoin formation at IC50 after 48 hrs relative to control	ChEMBL.	19269069
Activity (functional)	= 85.9 %	Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum 3D7 infected in type B+ human erythrocytes assessed as inhibition of sorbitol-induced hemolysis at 10 mM after 15 min by spectrophotometry	ChEMBL.	19269069
IC50 (functional)	= 2.93 ug ml-1	Antimalarial activity against asexual blood stage of Plasmodium falciparum 3D7 after 48 hrs by candle jar method	ChEMBL.	17977622
IC50 (functional)	= 9.5 uM	Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum 3D7 infected in type B+ human erythrocytes assessed as inhibition of parasitemia after 48 hrs by Giemsa staining	ChEMBL.	19269069
Inhibition (functional)	= 48.9 %	Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum 3D7 infected in type B+ human erythrocytes assessed as inhibition of schizont stage parasite after 12 hrs followed by incubation in drug-free medium for 48 hrs by stage specific inhibition assay relative to control	ChEMBL.	19269069
Inhibition (functional)	= 51.4 %	Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum 3D7 infected in type B+ human erythrocytes assessed as inhibition of ring stage parasite after 18 hrs followed by incubation in drug-free medium for 48 hrs by stage specific inhibition assay relative to control	ChEMBL.	19269069
Inhibition (functional)	= 61.5 %	Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum 3D7 infected in type B+ human erythrocytes assessed as inhibition of trophozoite stage parasite after 18 hrs followed by incubation in drug-free medium for 48 hrs by stage specific inhibition assay relative to control	ChEMBL.	19269069
MIC (functional)	= 50 ug ml-1	Antibacterial activity against Escherichia coli after 18 hrs by broth microdilution method	ChEMBL.	26580979
MIC (functional)	= 50 ug ml-1	Antitubercular activity against multi drug resistant Mycobacterium tuberculosis H37Rv after 5 days by microplate alamar blue assay	ChEMBL.	26580979

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23	17977622

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: CHEMBL497996

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 1003471