TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 276.417 | Formula: C17H28N2O
H donors: 1 H acceptors: 1 LogP: 2.84 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: O=C(N1CCCCC1)CNC12C[C@@H]3C[C@H](C2)C[C@H](C1)C3
InChi: 1S/C17H28N2O/c20-16(19-4-2-1-3-5-19)12-18-17-9-13-6-14(10-17)8-15(7-13)11-17/h13-15,18H,1-12H2/t13-,14+,15-,17?
InChiKey: WAUJUQUOYDMADX-MSNLLQCJSA-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

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
Schistosoma mansoni	DNA ligase IV	0.0041	0.0122	0.0182
Trichomonas vaginalis	RNA polymerase II ctd phosphatase, putative	0.0041	0.0122	0.5
Echinococcus granulosus	nibrin	0.0041	0.0122	0.0206
Loa Loa (eye worm)	RNA binding protein	0.0464	0.5919	0.5919
Brugia malayi	Pax transcription activation domain interacting protein	0.0041	0.0122	0.0122
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0122	0.0122
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.0041	0.0122	0.5
Loa Loa (eye worm)	hypothetical protein	0.0147	0.158	0.158
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0241	0.2862	0.2862
Entamoeba histolytica	hypothetical protein	0.0041	0.0122	0.5
Brugia malayi	hypothetical protein	0.0035	0.0036	0.0036
Onchocerca volvulus		0.0147	0.158	1
Brugia malayi	Smad1	0.0041	0.0121	0.0121
Loa Loa (eye worm)	MH2 domain-containing protein	0.0041	0.0121	0.0121
Loa Loa (eye worm)	TAR-binding protein	0.0464	0.5919	0.5919
Trichomonas vaginalis	RNA polymerase II ctd phosphatase, putative	0.0041	0.0122	0.5
Schistosoma mansoni	chromosome transmission fidelity factor	0.0041	0.0122	0.0182
Loa Loa (eye worm)	hypothetical protein	0.0761	1	1
Brugia malayi	MH2 domain containing protein	0.0041	0.0121	0.0121
Echinococcus granulosus	Smad4	0.0041	0.0121	0.0205
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0241	0.2862	0.2862
Toxoplasma gondii	ATPase, AAA family protein	0.0041	0.0122	0.4072
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0122	0.0122
Schistosoma mansoni	topbp1	0.0041	0.0122	0.0182
Giardia lamblia	Replication factor C, subunit 1	0.0041	0.0122	0.5
Trypanosoma brucei	PAB1-binding protein , putative	0.0054	0.0299	1
Brugia malayi	hypothetical protein	0.0054	0.0299	0.0299
Brugia malayi	MH2 domain containing protein	0.0041	0.0121	0.0121
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0241	0.2862	0.4835
Trypanosoma cruzi	PAB1-binding protein , putative	0.0054	0.0299	1
Brugia malayi	MH2 domain containing protein	0.0603	0.7833	0.7833
Brugia malayi	TAR-binding protein	0.0464	0.5919	0.5919
Echinococcus granulosus	mothers against decapentaplegic 5	0.0041	0.0121	0.0205
Echinococcus multilocularis	GPCR, family 2	0.0241	0.2862	0.4835
Trypanosoma cruzi	BRCA1 C Terminus (BRCT) domain containing protein, putative	0.0041	0.0122	0.4072
Trypanosoma cruzi	PAB1-binding protein , putative	0.0054	0.0299	1
Brugia malayi	MH1 domain containing protein	0.0041	0.0121	0.0121
Schistosoma mansoni	smad1 5 8 and	0.0041	0.0121	0.0181
Schistosoma mansoni	smad	0.0041	0.0121	0.0181
Echinococcus multilocularis	Smad4	0.0041	0.0121	0.0205
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0041	0.0121	0.0205
Plasmodium vivax	ataxin-2 like protein, putative	0.0054	0.0299	1
Brugia malayi	DKFZp564C0469 protein	0.0041	0.0122	0.0122
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0122	0.0122
Plasmodium vivax	replication factor C subunit 1, putative	0.0041	0.0122	0.4072
Echinococcus multilocularis	replication factor c subunit 1	0.0041	0.0122	0.0206
Trichomonas vaginalis	conserved hypothetical protein	0.0041	0.0122	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0041	0.0122	0.4072
Wolbachia endosymbiont of Brugia malayi	NAD-dependent DNA ligase, Lig	0.0041	0.0122	0.5
Echinococcus granulosus	smad	0.0041	0.0121	0.0205
Schistosoma mansoni	hypothetical protein	0.0241	0.2862	0.4274
Loa Loa (eye worm)	hypothetical protein	0.052	0.6696	0.6696
Treponema pallidum	DNA ligase (lig)	0.0041	0.0122	0.5
Brugia malayi	ATP dependent DNA ligase C terminal region family protein	0.0041	0.0122	0.0122
Brugia malayi	MH1 domain containing protein	0.0041	0.0121	0.0121
Schistosoma mansoni	hypothetical protein	0.0241	0.2862	0.4274
Plasmodium falciparum	ataxin-2 like protein, putative	0.0054	0.0299	1
Trichomonas vaginalis	conserved hypothetical protein	0.0041	0.0122	0.5
Trichomonas vaginalis	replication factor C large subunit, putative	0.0041	0.0122	0.5
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.0041	0.0122	0.5
Chlamydia trachomatis	DNA ligase	0.0041	0.0122	0.5
Loa Loa (eye worm)	Smad1	0.0041	0.0121	0.0121
Loa Loa (eye worm)	hypothetical protein	0.0241	0.2862	0.2862
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0122	0.0122
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0241	0.2862	0.4835
Entamoeba histolytica	Activator 1 140 kDa subunit, putative	0.0041	0.0122	0.5
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0299	0.0299
Schistosoma mansoni	tar DNA-binding protein	0.0464	0.5919	0.884
Echinococcus granulosus	GPCR family 2	0.0241	0.2862	0.4835
Loa Loa (eye worm)	MH2 domain-containing protein	0.0603	0.7833	0.7833
Brugia malayi	Latrophilin receptor protein 2	0.0241	0.2862	0.2862
Schistosoma mansoni	tar DNA-binding protein	0.0464	0.5919	0.884
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0761	1	1
Brugia malayi	latrophilin 2 splice variant baaae	0.052	0.6696	0.6696
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0041	0.0121	0.0205
Trypanosoma brucei	BRCA1 C Terminus (BRCT) domain containing protein, putative	0.0041	0.0122	0.4072
Plasmodium falciparum	replication factor C subunit 1, putative	0.0041	0.0122	0.4072
Brugia malayi	hypothetical protein	0.0041	0.0122	0.0122
Mycobacterium leprae	PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+])	0.0041	0.0122	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0041	0.0122	0.5
Echinococcus multilocularis	smad	0.0041	0.0121	0.0205
Trichomonas vaginalis	conserved hypothetical protein	0.0041	0.0122	0.5
Brugia malayi	hypothetical protein	0.0147	0.158	0.158
Schistosoma mansoni	tar DNA-binding protein	0.0464	0.5919	0.884
Schistosoma mansoni	tar DNA-binding protein	0.0464	0.5919	0.884
Schistosoma mansoni	smad1 5 8 and	0.0041	0.0121	0.0181
Plasmodium falciparum	ataxin-2 like protein, putative	0.0054	0.0299	1
Echinococcus granulosus	replication factor c subunit 1	0.0041	0.0122	0.0206
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0032	0	0.5
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0464	0.5919	0.5919
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0122	0.0122
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0122	0.0122
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0041	0.0121	0.0181
Leishmania major	hypothetical protein, conserved	0.0054	0.0299	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0603	0.7833	0.7833
Echinococcus multilocularis	nibrin	0.0041	0.0122	0.0206
Brugia malayi	hypothetical protein	0.0041	0.0122	0.0122
Brugia malayi	topoisomerase	0.0041	0.0122	0.0122
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0761	1	1
Echinococcus granulosus	tar DNA binding protein	0.0464	0.5919	1
Brugia malayi	RNA binding protein	0.0464	0.5919	0.5919
Schistosoma mansoni	hypothetical protein	0.0241	0.2862	0.4274
Schistosoma mansoni	hypothetical protein	0.052	0.6696	1
Mycobacterium ulcerans	NAD-dependent DNA ligase LigA	0.0041	0.0122	0.5
Echinococcus multilocularis	tar DNA binding protein	0.0464	0.5919	1
Trichomonas vaginalis	conserved hypothetical protein	0.0041	0.0122	0.5
Loa Loa (eye worm)	MH1 domain-containing protein	0.0041	0.0121	0.0121
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0241	0.2862	0.4835
Schistosoma mansoni	hypothetical protein	0.0241	0.2862	0.4274
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0241	0.2862	0.4835
Trypanosoma cruzi	FHA domain containing protein, putative	0.0041	0.0122	0.4072
Schistosoma mansoni	smad1 5 8 and	0.0041	0.0121	0.0181
Schistosoma mansoni	tar DNA-binding protein	0.0464	0.5919	0.884
Brugia malayi	RNA recognition motif domain containing protein	0.0464	0.5919	0.5919
Schistosoma mansoni	Smad4	0.0041	0.0121	0.0181
Trypanosoma cruzi	hypothetical protein, conserved	0.0041	0.0122	0.4072
Schistosoma mansoni	topbp1	0.0041	0.0122	0.0182
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0041	0.0121	0.0205
Toxoplasma gondii	LsmAD domain-containing protein	0.0054	0.0299	1
Toxoplasma gondii	poly(ADP-ribose) polymerase catalytic domain-containing protein	0.0041	0.0122	0.4072

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 52600 nM	Inhibition of human dipeptidyl peptidase IV (DPP IV) obtained from human colonic carcinoma cells	ChEMBL.	12801240
IC50 (binding)	= 52600 nM	Inhibition of human dipeptidyl peptidase IV (DPP IV) obtained from human colonic carcinoma cells	ChEMBL.	12801240

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

No external resources registered for this compound

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 155782