TDR Targets

Basic information

Technical information

TDR Targets ID: 279980
Name: 4-[7-(2-chloro-4-methoxyphenoxy)heptyl]-3,5-d iethyl-1H-pyrazole
MW: 378.936 | Formula: C21H31ClN2O2
H donors: 1 H acceptors: 1 LogP: 6.75 Rotable bonds: 12
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(c(c1)Cl)OCCCCCCCc1c(CC)[nH]nc1CC
InChi: 1S/C21H31ClN2O2/c1-4-19-17(20(5-2)24-23-19)11-9-7-6-8-10-14-26-21-13-12-16(25-3)15-18(21)22/h12-13,15H,4-11,14H2,1-3H3,(H,23,24)
InChiKey: DLQFBDFSWFJIDD-UHFFFAOYSA-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

4-[7-(2-chloro-4-methoxy-phenoxy)heptyl]-3,5-diethyl-1H-pyrazole
1H-Pyrazole, 4-[7-(2-chloro-4-methoxyphenoxy)heptyl]-3,5-diethyl-
AIDS-342181
AIDS342181

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
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0085	0.0285	0.0285
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0285	0.0285
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0085	0.0285	0.0285
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0285	0.0285
Onchocerca volvulus		0.0085	0.0285	0.0393
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.2658	1	1
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0285	0.0285
Echinococcus multilocularis	receptor type tyrosine protein phosphatase zeta	0.0085	0.0285	0.0285
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.009	0.0304	0.0304
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0085	0.0285	0.0285
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.1304	0.4888	0.4888
Echinococcus multilocularis	receptor type tyrosine protein phosphatase F	0.0085	0.0285	0.0285
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0285	0.0285
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0085	0.0285	0.0285
Schistosoma mansoni	protein tyrosine phosphatase	0.0085	0.0285	0.0285
Echinococcus multilocularis		0.0085	0.0285	0.0285
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0085	0.0285	0.0285
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0085	0.0285	0.0285
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0085	0.0285	0.0285
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0085	0.0285	0.0285
Trichomonas vaginalis	set domain proteins, putative	0.0281	0.1023	1
Onchocerca volvulus	Huntingtin homolog	0.0145	0.0511	0.0865
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0085	0.0285	0.0285
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.1304	0.4888	0.4888
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.2658	1	1
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0034	0.0092	0.0092
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.2658	1	1
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0285	0.0285
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0285	0.0285
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0035	0.0097	0.0097
Loa Loa (eye worm)	protein-tyrosine-phosphatase	0.0085	0.0285	0.0285
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0085	0.0285	0.0285
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0072	0.0235	0.5
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0085	0.0285	0.0285
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0285	0.0285
Schistosoma mansoni	protein-tyrosine phosphatase n9	0.0085	0.0285	0.0285
Schistosoma mansoni	rgs-gaip interacting protein gipc	0.0085	0.0285	0.0285
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0085	0.0285	0.0285
Echinococcus granulosus	protein tyrosine phosphatase n9	0.0085	0.0285	0.0285
Echinococcus granulosus	receptor type tyrosine protein phosphatase zeta	0.0085	0.0285	0.0285
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0072	0.0235	0.5
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.009	0.0304	0.0304
Echinococcus multilocularis	hypothetical protein	0.0085	0.0285	0.0285
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0035	0.0097	0.0097
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0072	0.0235	0.0235
Trypanosoma cruzi	tyrosine specific protein phosphatase, putative	0.0085	0.0285	0.5
Echinococcus granulosus	histone lysine methyltransferase setb	0.0035	0.0097	0.0097
Onchocerca volvulus		0.0281	0.1023	0.1933
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.009	0.0304	0.0304
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0085	0.0285	0.0285
Loa Loa (eye worm)	sex muscle abnormal protein 5	0.0124	0.0431	0.0431
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0085	0.0285	0.0285
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0085	0.0285	0.0285
Brugia malayi	Sex muscle abnormal protein 5	0.0124	0.0431	0.0431
Onchocerca volvulus		0.0085	0.0285	0.0393
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0285	0.0285
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0085	0.0285	0.0285
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0085	0.0285	0.0285
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0085	0.0285	0.0285
Schistosoma mansoni	protein tyrosine phosphatase non-receptor type nt1	0.2658	1	1
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0285	0.0285
Onchocerca volvulus	4.1 G protein, putative homolog	0.0085	0.0285	0.0393
Schistosoma mansoni	growth factor receptor-bound protein	0.0124	0.0431	0.0431
Brugia malayi	Protein-tyrosine phosphatase 1	0.0085	0.0285	0.0285
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0285	0.0285
Schistosoma mansoni	growth factor receptor-bound protein	0.0124	0.0431	0.0431
Onchocerca volvulus		0.0085	0.0285	0.0393
Echinococcus granulosus	growth factor receptor bound protein 2	0.0124	0.0431	0.0431
Loa Loa (eye worm)	protein-tyrosine phosphatase 1	0.0085	0.0285	0.0285
Onchocerca volvulus		0.0085	0.0285	0.0393
Loa Loa (eye worm)	protein tyrosine phosphatase	0.0085	0.0285	0.0285
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0285	0.0285
Echinococcus multilocularis	growth factor receptor bound protein 2	0.0124	0.0431	0.0431
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0085	0.0285	0.0285
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0085	0.0285	0.0285
Onchocerca volvulus		0.0085	0.0285	0.0393
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0085	0.0285	0.0285
Onchocerca volvulus		0.0085	0.0285	0.0393
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0285	0.0285
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0085	0.0285	0.0285
Schistosoma mansoni	protein tyrosine phosphatase	0.0085	0.0285	0.0285
Onchocerca volvulus		0.1304	0.4888	1
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0085	0.0285	0.0285
Leishmania major	protein-tyrosine phosphatase 1-like protein	0.0085	0.0285	1
Schistosoma mansoni	protein-tyrosine phosphatase non-receptor type nt5	0.0085	0.0285	0.0285
Echinococcus multilocularis	receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type	0.0085	0.0285	0.0285
Brugia malayi	Protein-tyrosine phosphatase	0.0085	0.0285	0.0285
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0285	0.0285
Onchocerca volvulus		0.0085	0.0285	0.0393
Onchocerca volvulus		0.0085	0.0285	0.0393
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0085	0.0285	0.0285
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0085	0.0285	0.0285
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0097	0.0097
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0085	0.0285	0.0285
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0285	0.0285
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0085	0.0285	0.0285
Echinococcus multilocularis	receptor type tyrosine protein phosphatase zeta	0.0085	0.0285	0.0285
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0072	0.0235	0.0235
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0085	0.0285	0.0285
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0085	0.0285	0.0285
Entamoeba histolytica	Pten 3-phosphoinositide phosphatase, putative	0.0085	0.0285	0.5
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0085	0.0285	0.0285
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.009	0.0304	0.0304
Onchocerca volvulus		0.0085	0.0285	0.0393
Onchocerca volvulus		0.0085	0.0285	0.0393
Trypanosoma cruzi	tyrosine specific protein phosphatase, putative	0.0085	0.0285	0.5
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0085	0.0285	0.0285
Onchocerca volvulus		0.0085	0.0285	0.0393
Trypanosoma brucei	protein tyrosine phosphatase 1	0.0085	0.0285	0.5
Echinococcus multilocularis	receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type	0.0085	0.0285	0.0285
Schistosoma mansoni	protein tyrosine phosphatase	0.0085	0.0285	0.0285
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0085	0.0285	0.0285
Echinococcus granulosus	Receptor type tyrosine protein phosphatase O	0.0085	0.0285	0.0285
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0085	0.0285	0.5
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0085	0.0285	0.0285
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0285	0.0285
Brugia malayi	Protein-tyrosine phosphatase	0.0085	0.0285	0.0285
Trypanosoma cruzi	tyrosine specific protein phosphatase, putative	0.0085	0.0285	0.5
Brugia malayi	hypothetical protein	0.0145	0.0511	0.0511
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0072	0.0235	0.5
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0085	0.0285	0.0285
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0285	0.0285
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0035	0.0097	0.0097
Schistosoma mansoni	protein tyrosine phosphatase n11 (shp2)	0.009	0.0304	0.0304
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0285	0.0285
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0085	0.0285	0.0285
Giardia lamblia	Protein tyrosine phosphatase	0.0085	0.0285	0.5
Onchocerca volvulus		0.0085	0.0285	0.0393
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0085	0.0285	0.0285
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0085	0.0285	0.0285
Onchocerca volvulus		0.0085	0.0285	0.0393
Leishmania major	tyrosine specific protein phosphatase, putative	0.0085	0.0285	1
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0085	0.0285	0.0285
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0285	0.0285
Onchocerca volvulus		0.0085	0.0285	0.0393
Toxoplasma gondii	aldehyde dehydrogenase	0.0072	0.0235	1
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0285	0.0285
Plasmodium vivax	SET domain protein, putative	0.0035	0.0097	0.5
Loa Loa (eye worm)	hypothetical protein	0.0145	0.0511	0.0511
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0085	0.0285	0.0285
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.0097	0.0097
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0085	0.0285	0.0285
Onchocerca volvulus		0.1304	0.4888	1
Loa Loa (eye worm)	dual specificity protein phosphatase CDC14B	0.0085	0.0285	0.0285
Schistosoma mansoni	non-receptor protein-tyrosine phosphatase	0.0085	0.0285	0.0285
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0085	0.0285	0.0285
Onchocerca volvulus		0.0085	0.0285	0.0393
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0085	0.0285	0.0285
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0085	0.0285	0.0285
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0085	0.0285	0.0285
Brugia malayi	hypothetical protein	0.0085	0.0285	0.0285
Onchocerca volvulus		0.0085	0.0285	0.0393
Schistosoma mansoni	aldehyde dehydrogenase	0.0072	0.0235	0.0235
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0285	0.0285
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0085	0.0285	0.0285
Brugia malayi	hypothetical protein	0.0085	0.0285	0.0285
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0085	0.0285	0.0285
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0285	0.0285
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0085	0.0285	0.0285
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0285	0.0285
Onchocerca volvulus		0.0085	0.0285	0.0393
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0285	0.0285
Onchocerca volvulus		0.0085	0.0285	0.0393
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.009	0.0304	0.0304
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0085	0.0285	0.0285
Brugia malayi	Dual specificity protein phosphatase CDC14B	0.0085	0.0285	0.0285
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0085	0.0285	0.0285
Schistosoma mansoni	receptor protein tyrosine phosphatase r (pcptp1)	0.0085	0.0285	0.0285
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0072	0.0235	0.5
Brugia malayi	hypothetical protein	0.0085	0.0285	0.0285
Brugia malayi	Pre-SET motif family protein	0.0247	0.0894	0.0894
Echinococcus multilocularis	protein tyrosine phosphatase n9	0.0085	0.0285	0.0285
Echinococcus granulosus	Receptor type tyrosine protein phosphatase O	0.0085	0.0285	0.0285
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0085	0.0285	0.0285
Schistosoma mansoni	receptor protein tyrosine phosphatase	0.0085	0.0285	0.0285
Brugia malayi	hypothetical protein	0.0085	0.0285	0.0285
Onchocerca volvulus	Huntingtin homolog	0.0145	0.0511	0.0865
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0085	0.0285	0.0285
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0085	0.0285	0.0285
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0085	0.0285	0.0285
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0285	0.0285
Brugia malayi	protein-tyrosine phosphatase Lar-like precursor, putative	0.0085	0.0285	0.0285
Onchocerca volvulus		0.0085	0.0285	0.0393
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0085	0.0285	0.5
Onchocerca volvulus		0.0085	0.0285	0.0393
Schistosoma mansoni	aldehyde dehydrogenase	0.0072	0.0235	0.0235
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0085	0.0285	0.0285
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0247	0.0894	0.0894
Echinococcus multilocularis	receptor type tyrosine protein phosphatase H	0.0085	0.0285	0.0285
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0085	0.0285	0.0285
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0085	0.0285	0.0285
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0285	0.0285
Brugia malayi	Pre-SET motif family protein	0.0035	0.0097	0.0097
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0285	0.0285
Loa Loa (eye worm)	hypothetical protein	0.0145	0.0511	0.0511
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.009	0.0304	0.0304
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0085	0.0285	0.0285
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0085	0.0285	0.0285
Onchocerca volvulus		0.0085	0.0285	0.0393
Schistosoma mansoni	pcd6 interacting protein-related	0.0085	0.0285	0.0285
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0085	0.0285	0.0285
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.0097	0.0097
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0085	0.0285	0.0285
Loa Loa (eye worm)	fibronectin type III domain-containing protein	0.0085	0.0285	0.0285
Schistosoma mansoni	receptor protein tyrosine phosphatase n (ia2)	0.0085	0.0285	0.0285
Brugia malayi	hypothetical protein	0.0085	0.0285	0.0285
Echinococcus granulosus	receptor type tyrosine protein phosphatase zeta	0.0085	0.0285	0.0285
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.0097	0.0097
Schistosoma mansoni	receptor protein tyrosine phosphatase n (ia2)	0.0085	0.0285	0.0285

Activities

Activity type	Activity value	Assay description	Source	Reference
MIC (functional)	= 6 ug ml-1	Tested in vitro for minimum inhibitory activity against Herpes simplex virus type -2 (HSV-2)	ChEMBL.	6265636

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: 6482600

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 279980