TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 492.736 | Formula: C32H48N2O2
H donors: 2 H acceptors: 0 LogP: 8.32 Rotable bonds: 21
Rule of 5 violations (Lipinski): 1
SMILES: C=CCNC(c1ccc(cc1)OCCOc1ccc(cc1)C(NCC=C)CCCCC)CCCCC
InChi: 1S/C32H48N2O2/c1-5-9-11-13-31(33-23-7-3)27-15-19-29(20-16-27)35-25-26-36-30-21-17-28(18-22-30)32(34-24-8-4)14-12-10-6-2/h7-8,15-22,31-34H,3-6,9-14,23-26H2,1-2H3
InChiKey: XYNBDKDDJHLBEN-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

No synonyms found for this compound

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	mothers against decapentaplegic 5	0.0009	0.0104	0.0353
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0009	0.0104	0.0353
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.1314	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.1314	0.1509
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.001	0.0141	0.0146
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.1314	1
Mycobacterium tuberculosis	Probable lipase LipD	0.0035	0.1314	0.0788
Echinococcus granulosus	Smad4	0.0009	0.0104	0.0353
Mycobacterium tuberculosis	Conserved protein	0.0035	0.1314	0.0788
Brugia malayi	MH2 domain containing protein	0.0009	0.0104	0.0103
Loa Loa (eye worm)	hypothetical protein	0.0196	0.8624	1
Brugia malayi	DIX domain containing protein	0.001	0.0141	0.0146
Schistosoma mansoni	smad1 5 8 and	0.0009	0.0104	0.0411
Mycobacterium tuberculosis	Probable hydrolase	0.0035	0.1314	0.0788
Schistosoma mansoni	z-protein (S1r protein)	0.001	0.0141	0.0557
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.2538	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.1314	1
Schistosoma mansoni	smad1 5 8 and	0.0009	0.0104	0.0411
Mycobacterium tuberculosis	Conserved protein	0.0035	0.1314	0.0788
Mycobacterium tuberculosis	Conserved protein	0.0035	0.1314	0.0788
Schistosoma mansoni	smad1 5 8 and	0.0009	0.0104	0.0411
Loa Loa (eye worm)	RNA binding protein	0.0062	0.2538	0.293
Brugia malayi	MH1 domain containing protein	0.0009	0.0104	0.0103
Loa Loa (eye worm)	TAR-binding protein	0.0062	0.2538	0.293
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.1314	0.5177
Loa Loa (eye worm)	MH2 domain-containing protein	0.0009	0.0104	0.0103
Loa Loa (eye worm)	MH1 domain-containing protein	0.0009	0.0104	0.0103
Brugia malayi	exodeoxyribonuclease III family protein	0.0019	0.0571	0.0645
Brugia malayi	beta-lactamase family protein	0.0035	0.1314	0.1509
Loa Loa (eye worm)	hypothetical protein	0.0035	0.1314	0.1509
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0019	0.0571	0.0645
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0019	0.0571	0.5
Mycobacterium leprae	conserved hypothetical protein	0.0035	0.1314	0.5
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0009	0.0104	0.0353
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.001	0.0141	0.0146
Loa Loa (eye worm)	hypothetical protein	0.001	0.0141	0.0146
Mycobacterium tuberculosis	Probable lipase LipE	0.0035	0.1314	0.0788
Echinococcus multilocularis	segment polarity protein dishevelled	0.001	0.0141	0.05
Schistosoma mansoni	ap endonuclease	0.0019	0.0571	0.225
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.1314	1
Onchocerca volvulus		0.0035	0.1314	0.1509
Echinococcus granulosus	Pleckstrin G protein interacting region	0.001	0.0141	0.05
Mycobacterium ulcerans	beta-lactamase	0.0035	0.1314	1
Brugia malayi	MH2 domain containing protein	0.0009	0.0104	0.0103
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.1314	0.5148
Echinococcus granulosus	regulator of G protein signaling 7	0.001	0.0141	0.05
Loa Loa (eye worm)	hypothetical protein	0.0035	0.1314	0.1509
Echinococcus multilocularis	regulator of G protein signaling 7	0.001	0.0141	0.05
Loa Loa (eye worm)	transcription factor SMAD2	0.0129	0.5602	0.649
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.1314	0.5148
Echinococcus granulosus	regulator of G protein signaling 7	0.001	0.0141	0.05
Loa Loa (eye worm)	DIX domain-containing protein	0.001	0.0141	0.0146
Echinococcus multilocularis	Smad4	0.0009	0.0104	0.0353
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0062	0.2538	0.293
Schistosoma mansoni	regulator of G protein signaling	0.001	0.0141	0.0557
Schistosoma mansoni	guanine-nucleotide-exchange-factor	0.0007	0.0015	0.006
Loa Loa (eye worm)	hypothetical protein	0.0035	0.1314	0.1509
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0035	0.1314	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0141	0.0146
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.1314	0.5177
Brugia malayi	hypothetical protein	0.001	0.0141	0.0146
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.1314	0.1509
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0571	0.5
Onchocerca volvulus		0.0035	0.1314	0.1509
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.0571	0.4279
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.1314	0.1509
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0035	0.1314	0.0788
Echinococcus multilocularis	regulator of G protein signaling 7	0.001	0.0141	0.05
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.1314	1
Brugia malayi	MH1 domain containing protein	0.0009	0.0104	0.0103
Echinococcus granulosus	tar DNA binding protein	0.0062	0.2538	1
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0019	0.0571	0.5
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0035	0.1314	0.0788
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.2538	1
Onchocerca volvulus	Segment polarity protein dishevelled homolog	0.001	0.0141	0.0146
Toxoplasma gondii	ABC1 family protein	0.0035	0.1314	1
Loa Loa (eye worm)	Smad1	0.0009	0.0104	0.0103
Schistosoma mansoni	dep domain containing protein	0.001	0.0141	0.0557
Mycobacterium tuberculosis	Probable esterase LipL	0.0035	0.1314	0.0788
Echinococcus multilocularis	segment polarity protein dishevelled	0.001	0.0141	0.05
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.2538	1
Schistosoma mansoni	fyve finger-containing phosphoinositide kinase fyv1	0.001	0.0141	0.0557
Echinococcus granulosus	smad	0.0009	0.0104	0.0353
Echinococcus granulosus	segment polarity protein dishevelled	0.001	0.0141	0.05
Brugia malayi	N-terminal motif family protein	0.0196	0.8624	1
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.2538	1
Schistosoma mansoni	Smad4	0.0009	0.0104	0.0411
Brugia malayi	beta-lactamase	0.0035	0.1314	0.1509
Schistosoma mansoni	dishevelled	0.001	0.0141	0.0557
Brugia malayi	Smad1	0.0009	0.0104	0.0103
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.2538	1
Mycobacterium leprae	Probable lipase LipE	0.0035	0.1314	0.5
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0035	0.1314	0.0788
Schistosoma mansoni	ras GTP exchange factor son of sevenless	0.0007	0.0015	0.006
Brugia malayi	hypothetical protein	0.001	0.0141	0.0146
Mycobacterium ulcerans	lipase LipD	0.0035	0.1314	1
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.0571	0.4279
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0019	0.0571	0.5
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0019	0.0571	0.2203
Onchocerca volvulus		0.0035	0.1314	0.1509
Schistosoma mansoni	ras GTP exchange factor son of sevenless	0.0007	0.0015	0.006
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0019	0.0571	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.1314	0.1509
Schistosoma mansoni	smad	0.0009	0.0104	0.0411
Echinococcus multilocularis	Pleckstrin G protein, interacting region	0.001	0.0141	0.05
Schistosoma mansoni	dishevelled	0.001	0.0141	0.0557
Schistosoma mansoni	ras GTP exchange factor son of sevenless	0.0007	0.0015	0.006
Onchocerca volvulus		0.001	0.0141	0.0146
Loa Loa (eye worm)	hypothetical protein	0.001	0.0141	0.0146
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0009	0.0104	0.0353
Loa Loa (eye worm)	hypothetical protein	0.0035	0.1314	0.1509
Toxoplasma gondii	exonuclease III APE	0.0019	0.0571	0.3664
Trypanosoma brucei	hypothetical protein, conserved	0.0035	0.1314	1
Mycobacterium ulcerans	esterase/lipase LipP	0.0035	0.1314	1
Trichomonas vaginalis	esterase, putative	0.0035	0.1314	1
Brugia malayi	RNA binding protein	0.0062	0.2538	0.293
Brugia malayi	beta-lactamase family protein	0.0035	0.1314	0.1509
Brugia malayi	RNA recognition motif domain containing protein	0.0062	0.2538	0.293
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0019	0.0571	0.4279
Schistosoma mansoni	ap endonuclease	0.0019	0.0571	0.225
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0196	0.8624	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0129	0.5602	0.649
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.1314	1
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0019	0.0571	0.2203
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0571	0.4279
Brugia malayi	TAR-binding protein	0.0062	0.2538	0.293
Loa Loa (eye worm)	beta-lactamase	0.0035	0.1314	0.1509
Schistosoma mansoni	ras GTP exchange factor	0.0007	0.0015	0.006
Leishmania major	hypothetical protein, conserved	0.0035	0.1314	1
Brugia malayi	regulator of G-protein signaling egl-10	0.001	0.0141	0.0146
Echinococcus granulosus	segment polarity protein dishevelled	0.001	0.0141	0.05
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0009	0.0104	0.0411
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.1314	1
Echinococcus multilocularis	smad	0.0009	0.0104	0.0353
Mycobacterium ulcerans	hypothetical protein	0.0035	0.1314	1
Brugia malayi	MH2 domain containing protein	0.0129	0.5602	0.649
Echinococcus multilocularis	tar DNA binding protein	0.0062	0.2538	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.1314	1
Loa Loa (eye worm)	G protein signaling regulator EGL-10	0.001	0.0141	0.0146

Activities

No activities found for this compound.

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: CHEMBL546202

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 1043326