TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 279.398 | Formula: C16H27N2O2+
H donors: 2 H acceptors: 1 LogP: 3.4 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: CCCCNc1ccc(cc1)C(=O)OCCC[NH+](C)C
InChi: 1S/C16H26N2O2/c1-4-5-11-17-15-9-7-14(8-10-15)16(19)20-13-6-12-18(2)3/h7-10,17H,4-6,11-13H2,1-3H3/p+1
InChiKey: WGKKIHGKWDUPCF-UHFFFAOYSA-O

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

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
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0098	0.179	0.1761
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.006	0.0965	0.7445
Loa Loa (eye worm)	hypothetical protein	0.0074	0.1266	0.1266
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0074	0.1266	0.1216
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0637	0.0977
Loa Loa (eye worm)	inositol-1	0.0036	0.0454	0.0454
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0074	0.1266	0.2097
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0074	0.1266	0.2097
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0074	0.1266	0.1266
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0036	0.0454	0.4176
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.006	0.0965	1
Mycobacterium tuberculosis	Probable esterase LipL	0.0074	0.1266	0.1216
Schistosoma mansoni	ap endonuclease	0.006	0.0965	0.1561
Echinococcus multilocularis	dna polymerase eta	0.0019	0.0087	0.0087
Loa Loa (eye worm)	hypothetical protein	0.017	0.3331	0.3331
Loa Loa (eye worm)	intermediate filament protein	0.003	0.0337	0.0337
Mycobacterium tuberculosis	Probable lipase LipE	0.0074	0.1266	0.1216
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0019	0.0087	0.0087
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0454	0.3109
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0074	0.1266	0.1216
Brugia malayi	hypothetical protein	0.0035	0.0434	0.0401
Loa Loa (eye worm)	hypothetical protein	0.003	0.0325	0.0325
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0434	0.0434
Echinococcus granulosus	lamin	0.003	0.0337	0.0337
Mycobacterium tuberculosis	Probable hydrolase	0.0074	0.1266	0.1216
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0036	0.0454	0.0652
Brugia malayi	Intermediate filament tail domain containing protein	0.003	0.0337	0.0303
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.003	0.0337	0.0337
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0074	0.1266	0.1236
Entamoeba histolytica	hypothetical protein	0.0035	0.0434	0.3949
Schistosoma mansoni	hypothetical protein	0.0035	0.0434	0.0616
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.0087	0.0053
Echinococcus granulosus	survival motor neuron protein 1	0.0482	1	1
Brugia malayi	beta-lactamase family protein	0.0074	0.1266	0.1236
Onchocerca volvulus		0.0098	0.179	0.4854
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.006	0.0965	0.5
Brugia malayi	Inositol-1	0.0036	0.0454	0.0421
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.006	0.0965	0.7445
Onchocerca volvulus		0.0074	0.1266	0.3106
Entamoeba histolytica	hypothetical protein	0.0035	0.0434	0.3949
Trichomonas vaginalis	glutaminase, putative	0.0282	0.5711	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0044	0.0637	0.0637
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0472	0.9782	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0074	0.1266	0.2097
Trichomonas vaginalis	ap endonuclease, putative	0.006	0.0965	0.1561
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0454	0.3109
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.006	0.0965	0.7445
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0454	0.3109
Toxoplasma gondii	exonuclease III APE	0.006	0.0965	0.6293
Echinococcus multilocularis	lamin	0.003	0.0337	0.0337
Echinococcus multilocularis	musashi	0.003	0.0337	0.0337
Loa Loa (eye worm)	glutaminase 2	0.0282	0.5711	0.5711
Schistosoma mansoni	lamin	0.003	0.0337	0.0443
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0036	0.0454	0.0652
Loa Loa (eye worm)	hypothetical protein	0.0074	0.1266	0.1266
Loa Loa (eye worm)	transcription factor SMAD2	0.0116	0.2168	0.2168
Trypanosoma cruzi	hypothetical protein, conserved	0.0074	0.1266	1
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0032	0.0373	0.0295
Onchocerca volvulus		0.0074	0.1266	0.3106
Echinococcus granulosus	lamin dm0	0.003	0.0337	0.0337
Mycobacterium ulcerans	lipase LipD	0.0074	0.1266	0.2097
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0637	0.0977
Schistosoma mansoni	survival motor neuron protein	0.0098	0.179	0.3028
Mycobacterium ulcerans	glutaminase	0.0282	0.5711	1
Entamoeba histolytica	hypothetical protein	0.0035	0.0434	0.3949
Mycobacterium ulcerans	hypothetical protein	0.0207	0.4117	0.7166
Echinococcus granulosus	inositol monophosphatase 1	0.0036	0.0454	0.0454
Trichomonas vaginalis	D-aminoacylase, putative	0.0074	0.1266	0.2097
Toxoplasma gondii	ABC1 family protein	0.0074	0.1266	1
Brugia malayi	beta-lactamase family protein	0.0074	0.1266	0.1236
Trypanosoma cruzi	hypothetical protein, conserved	0.0074	0.1266	1
Mycobacterium leprae	Conserved hypothetical protein	0.0207	0.4117	1
Schistosoma mansoni	inositol monophosphatase	0.0036	0.0454	0.0652
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0207	0.4117	0.4157
Echinococcus granulosus	dna polymerase eta	0.0019	0.0087	0.0087
Mycobacterium tuberculosis	Conserved protein	0.0074	0.1266	0.1216
Mycobacterium tuberculosis	Probable lipase LipD	0.0074	0.1266	0.1216
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0434	0.0616
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0019	0.0087	0.0087
Schistosoma mansoni	glutaminase	0.0282	0.5711	1
Brugia malayi	beta-lactamase	0.0074	0.1266	0.1236
Brugia malayi	hypothetical protein	0.017	0.3331	0.3307
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.006	0.0965	0.1561
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0637	0.0637
Mycobacterium ulcerans	esterase/lipase LipP	0.0074	0.1266	0.2097
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.006	0.0965	0.0965
Mycobacterium leprae	Probable lipase LipE	0.0074	0.1266	0.2385
Loa Loa (eye worm)	hypothetical protein	0.0074	0.1266	0.1266
Schistosoma mansoni	ap endonuclease	0.006	0.0965	0.1561
Echinococcus granulosus	beta LACTamase domain containing family member	0.0074	0.1266	0.1266
Trypanosoma brucei	hypothetical protein, conserved	0.0074	0.1266	1
Trichomonas vaginalis	inositol monophosphatase, putative	0.0036	0.0454	0.0652
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0044	0.0637	0.0604
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0434	0.0434
Brugia malayi	exodeoxyribonuclease III family protein	0.006	0.0965	0.0934
Trichomonas vaginalis	ap endonuclease, putative	0.006	0.0965	0.1561
Plasmodium vivax	hypothetical protein, conserved	0.0074	0.1266	1
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.006	0.0965	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0074	0.1266	0.1266
Onchocerca volvulus		0.017	0.3331	1
Loa Loa (eye worm)	hypothetical protein	0.0074	0.1266	0.1266
Echinococcus granulosus	intermediate filament protein	0.003	0.0337	0.0337
Mycobacterium tuberculosis	Conserved protein	0.0074	0.1266	0.1216
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0637	0.0977
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0036	0.0454	0.0652
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.006	0.0965	0.0965
Schistosoma mansoni	lamin	0.003	0.0337	0.0443
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0454	0.3109
Mycobacterium tuberculosis	Conserved protein	0.0074	0.1266	0.1216
Brugia malayi	glutaminase DH11.1	0.0282	0.5711	0.5696
Trichomonas vaginalis	penicillin-binding protein, putative	0.0074	0.1266	0.2097
Treponema pallidum	exodeoxyribonuclease (exoA)	0.006	0.0965	0.5
Schistosoma mansoni	hypothetical protein	0.0098	0.179	0.3028
Mycobacterium leprae	conserved hypothetical protein	0.0074	0.1266	0.2385
Loa Loa (eye worm)	hypothetical protein	0.0074	0.1266	0.1266
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0087	0.0087
Schistosoma mansoni	inositol monophosphatase	0.0036	0.0454	0.0652
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.0087	0.0053
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0074	0.1266	0.1216
Echinococcus multilocularis	survival motor neuron protein 1	0.0482	1	1
Loa Loa (eye worm)	glutaminase	0.0282	0.5711	0.5711
Brugia malayi	MH2 domain containing protein	0.0116	0.2168	0.214
Echinococcus multilocularis	inositol monophosphatase 1	0.0036	0.0454	0.0454
Leishmania major	hypothetical protein, conserved	0.0074	0.1266	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0637	0.0637
Trichomonas vaginalis	esterase, putative	0.0074	0.1266	0.2097
Entamoeba histolytica	hypothetical protein	0.0035	0.0434	0.3949
Echinococcus granulosus	dna polymerase kappa	0.0019	0.0087	0.0087
Schistosoma mansoni	intermediate filament proteins	0.003	0.0337	0.0443
Echinococcus multilocularis	lamin dm0	0.003	0.0337	0.0337
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.006	0.0965	0.0906
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.006	0.0965	1
Mycobacterium ulcerans	beta-lactamase	0.0074	0.1266	0.2097
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.006	0.0965	0.0965
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0074	0.1266	0.2097
Loa Loa (eye worm)	MH2 domain-containing protein	0.0116	0.2168	0.2168
Onchocerca volvulus		0.0074	0.1266	0.3106
Echinococcus multilocularis	dna polymerase kappa	0.0019	0.0087	0.0087
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0016	0.0035	0.0035
Trichomonas vaginalis	D-aminoacylase, putative	0.0074	0.1266	0.2097
Brugia malayi	intermediate filament protein	0.003	0.0337	0.0303
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0637	0.0637
Loa Loa (eye worm)	hypothetical protein	0.0074	0.1266	0.1266
Loa Loa (eye worm)	hypothetical protein	0.0482	1	1
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0019	0.0087	0.0087
Loa Loa (eye worm)	beta-lactamase	0.0074	0.1266	0.1266
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.006	0.0965	0.7445
Loa Loa (eye worm)	hypothetical protein	0.003	0.0337	0.0337
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0637	0.0637
Trichomonas vaginalis	D-aminoacylase, putative	0.0074	0.1266	0.2097
Mycobacterium ulcerans	hypothetical protein	0.0074	0.1266	0.2097

Activities

Activity type	Activity value	Assay description	Source	Reference
Kd (binding)	= 5 uM	Blockade of CNGA1/CNGB1 expressed in Xenopus oocyte by electrophysiological method	ChEMBL.	18055205

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: 522813

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 505747