TDR Targets

Basic information

Technical information

TDR Targets ID: 140063
Name: 7-[3-[4-(3,4-dimethylphenyl)piperazin-1-yl]pr opoxy]chromen-4-one
MW: 392.491 | Formula: C24H28N2O3
H donors: 0 H acceptors: 1 LogP: 4.23 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc(cc1C)N1CCN(CC1)CCCOc1ccc2c(c1)occc2=O
InChi: 1S/C24H28N2O3/c1-18-4-5-20(16-19(18)2)26-12-10-25(11-13-26)9-3-14-28-21-6-7-22-23(27)8-15-29-24(22)17-21/h4-8,15-17H,3,9-14H2,1-2H3
InChiKey: NBXJBWFTSFIRBS-UHFFFAOYSA-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

7-[3-[4-(3,4-dimethylphenyl)-1-piperazinyl]propoxy]-1-benzopyran-4-one
7-[3-[4-(3,4-dimethylphenyl)piperazino]propoxy]chromone
7-[3-[4-(3,4-dimethylphenyl)-1-piperazinyl]propoxy]-4-chromenone
7-[3-[4-(3,4-dimethylphenyl)piperazin-1-yl]propoxy]chromone

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
Schistosoma mansoni	tar DNA-binding protein	0.0219	0.549	0.531
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0231	0.0296
Brugia malayi	jmjC domain containing protein	0.0071	0.1394	0.179
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0071	0.1394	0.1051
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0045	0.0691	0.032
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0045	0.0691	0.5
Brugia malayi	hypothetical protein	0.0124	0.2878	0.4073
Mycobacterium ulcerans	acyl-CoA synthetase	0.0028	0.0231	0.0539
Brugia malayi	follicle stimulating hormone receptor	0.0244	0.6197	0.918
Entamoeba histolytica	hypothetical protein	0.0124	0.2878	1
Brugia malayi	RNA binding protein	0.0219	0.549	0.8092
Loa Loa (eye worm)	transcription factor SMAD2	0.0143	0.3401	0.503
Loa Loa (eye worm)	RNA binding protein	0.0219	0.549	0.8148
Toxoplasma gondii	hypothetical protein	0.0047	0.0753	1
Schistosoma mansoni	hypothetical protein	0.0382	1	1
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0045	0.0691	0.0429
Plasmodium vivax	basic transcription factor 3b, putative	0.0034	0.0384	0.5333
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0028	0.0231	0.0539
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0155	0.3716	1
Brugia malayi	MH2 domain containing protein	0.0143	0.3401	0.4878
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0041	0.0585	0.0281
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0219	0.549	0.8148
Echinococcus multilocularis	lysine specific demethylase 5A	0.0071	0.1394	0.1051
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0293	0.7553	1
Schistosoma mansoni	transcription factor LCR-F1	0.0124	0.2878	0.2594
Leishmania major	basic transcription factor 3a, putative	0.0034	0.0384	0.0209
Brugia malayi	RNA recognition motif domain containing protein	0.0219	0.549	0.8092
Mycobacterium ulcerans	hypothetical protein	0.0155	0.3716	1
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0231	0.0296
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0028	0.0231	0.0621
Trichomonas vaginalis	ap endonuclease, putative	0.0045	0.0691	1
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0028	0.0231	0.0539
Leishmania major	mitochondrial DNA polymerase beta	0.0293	0.7553	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0028	0.0231	0.0621
Schistosoma mansoni	hypothetical protein	0.0382	1	1
Loa Loa (eye worm)	ICD-1 protein	0.0034	0.0384	0.0525
Echinococcus multilocularis	geminin	0.0382	1	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0071	0.1394	0.2033
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0231	0.0296
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0021	0.0032	0.5
Plasmodium falciparum	basic transcription factor 3b, putative	0.0034	0.0384	0.5333
Entamoeba histolytica	hypothetical protein	0.0124	0.2878	1
Brugia malayi	Ets-domain containing protein	0.0087	0.1845	0.2483
Schistosoma mansoni	ets-related	0.0264	0.673	0.66
Brugia malayi	TAR-binding protein	0.0219	0.549	0.8092
Brugia malayi	beta-NAC-like protein	0.0034	0.0384	0.0236
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0021	0.0032	0.0086
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0045	0.0691	0.0984
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0041	0.0585	0.0281
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0124	0.2878	0.2594
Schistosoma mansoni	gabp alpha	0.0087	0.1845	0.1519
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0071	0.1394	0.1051
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0028	0.0231	0.0539
Entamoeba histolytica	hypothetical protein	0.0034	0.0384	0.0578
Schistosoma mansoni	tar DNA-binding protein	0.0219	0.549	0.531
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0293	0.7553	1
Echinococcus multilocularis	GA binding protein alpha chain	0.0087	0.1845	0.1519
Entamoeba histolytica	hypothetical protein	0.0124	0.2878	1
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0041	0.0585	0.0281
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0028	0.0231	0.5
Loa Loa (eye worm)	MH2 domain-containing protein	0.0143	0.3401	0.503
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0045	0.0691	1
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0045	0.0691	0.5
Entamoeba histolytica	transcription factor BTF3, putative	0.0034	0.0384	0.0578
Schistosoma mansoni	tar DNA-binding protein	0.0219	0.549	0.531
Echinococcus granulosus	tar DNA binding protein	0.0219	0.549	0.531
Echinococcus granulosus	lysine specific demethylase 5A	0.0071	0.1394	0.1051
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0041	0.0585	0.0281
Mycobacterium ulcerans	acyl-CoA synthetase	0.0028	0.0231	0.0539
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0045	0.0691	0.032
Echinococcus granulosus	GA binding protein alpha chain	0.0087	0.1845	0.1519
Schistosoma mansoni	jumonji domain containing protein	0.0071	0.1394	0.1051
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0028	0.0231	0.5
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0071	0.1394	0.1051
Schistosoma mansoni	ap endonuclease	0.0045	0.0691	0.032
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0124	0.2878	0.2594
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.005	0.0835	0.0629
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0139	0.3282	0.4043
Mycobacterium ulcerans	acyl-CoA synthetase	0.0028	0.0231	0.0539
Loa Loa (eye worm)	TAR-binding protein	0.0219	0.549	0.8148
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0045	0.0691	0.0429
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0045	0.0691	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0071	0.1394	0.1051
Schistosoma mansoni	ap endonuclease	0.0045	0.0691	0.032
Schistosoma mansoni	tar DNA-binding protein	0.0219	0.549	0.531
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0293	0.7553	1
Loa Loa (eye worm)	fli-1 protein	0.0264	0.673	1
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0045	0.0691	0.1861
Onchocerca volvulus		0.0028	0.0231	0.5
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0045	0.0691	0.0629
Entamoeba histolytica	hypothetical protein	0.0124	0.2878	1
Echinococcus multilocularis	tar DNA binding protein	0.0219	0.549	0.531
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0045	0.0691	0.0429
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0045	0.0691	0.5
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0139	0.3282	0.4043
Schistosoma mansoni	hypothetical protein	0.0124	0.2878	0.2594
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0028	0.0231	0.0539
Toxoplasma gondii	exonuclease III APE	0.0045	0.0691	0.8337
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0244	0.6197	0.9204
Mycobacterium ulcerans	hypothetical protein	0.0028	0.0231	0.0539
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0139	0.3282	0.4168
Trichomonas vaginalis	ap endonuclease, putative	0.0045	0.0691	1
Brugia malayi	jmjC domain containing protein	0.0071	0.1394	0.179
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0045	0.0691	0.179
Loa Loa (eye worm)	D-ets-4 DNA binding domain-containing protein	0.0087	0.1845	0.2706
Loa Loa (eye worm)	hypothetical protein	0.0074	0.1497	0.2186
Brugia malayi	Fli-1 protein	0.0264	0.673	1
Brugia malayi	Ets-domain containing protein	0.0087	0.1845	0.2483
Schistosoma mansoni	tar DNA-binding protein	0.0219	0.549	0.531
Brugia malayi	exodeoxyribonuclease III family protein	0.0045	0.0691	0.0709
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0045	0.0691	0.174

Activities

Activity type	Activity value	Assay description	Source	Reference
ED50 (functional)	= 3 mg kg-1	Inhibition of mouse intraperitoneally.	ChEMBL.	1671416
ED50 (functional)	= 3 mg kg-1	Inhibition of mouse intraperitoneally.	ChEMBL.	1671416
ED50 (functional)	= 7.3 mg kg-1	Inhibition of rat locomotor activity after being administered perorally.	ChEMBL.	1671416
Inhibition (binding)	= 41 %	Inhibitory binding activity against dopamine receptor in rat striatal membranes using [3H]-HAL as the the radioligand.	ChEMBL.	1671416
Inhibition (binding)	= 41 %	Inhibitory binding activity against dopamine receptor in rat striatal membranes using [3H]-HAL as the the radioligand.	ChEMBL.	1671416
Reversal (functional)	= -29 %	Compound tested for % reversal of DOPA accumulation at an intraperitoneal dose of 30 mg/kg.	ChEMBL.	1671416

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

ChEMBL: CHEMBL85746
PubChem: 13923983

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 140063