TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 350.454 | Formula: C22H26N2O2
H donors: 1 H acceptors: 1 LogP: 3.39 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CNC(=O)C1c2cc(OCCN3CCCCC3)ccc2c2c1cccc2
InChi: 1S/C22H26N2O2/c1-23-22(25)21-19-8-4-3-7-17(19)18-10-9-16(15-20(18)21)26-14-13-24-11-5-2-6-12-24/h3-4,7-10,15,21H,2,5-6,11-14H2,1H3,(H,23,25)
InChiKey: CMYKDNNFSTVULM-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

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
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0021	0.0021
Trypanosoma brucei	DNA polymerase kappa, putative	0.0105	0.0997	1
Brugia malayi	hypothetical protein	0.0025	0.0102	0.0102
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.0102	0.4726
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0105	0.0997	0.0997
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0042	0.0299	0.0299
Brugia malayi	hypothetical protein	0.0017	0.0021	0.0021
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0199	0.0199
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0033	0.0191	0.8801
Echinococcus granulosus	regulator of G protein signaling 7	0.0017	0.0021	0.0026
Brugia malayi	jmjC domain containing protein	0.0115	0.1102	0.1102
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.0371	0.0371
Leishmania major	hypothetical protein, conserved	0.0025	0.0102	0.1028
Brugia malayi	polk-prov protein	0.0033	0.0191	0.0191
Trypanosoma brucei	DNA polymerase IV, putative	0.0105	0.0997	1
Schistosoma mansoni	tar DNA-binding protein	0.0072	0.0625	0.0625
Brugia malayi	N-terminal motif family protein	0.0353	0.3746	0.3746
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0105	0.0997	0.0851
Trypanosoma brucei	hypothetical protein, conserved	0.0033	0.0191	0.1914
Echinococcus granulosus	segment polarity protein dishevelled	0.0017	0.0021	0.0026
Mycobacterium tuberculosis	Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic	0.0278	0.2912	1
Echinococcus granulosus	jumonji domain containing protein	0.0049	0.0369	0.0464
Schistosoma mansoni	glutaminase	0.0915	1	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0105	0.0997	1
Giardia lamblia	DINP protein human, muc B family	0.0105	0.0997	1
Echinococcus granulosus	dna polymerase kappa	0.0105	0.0997	0.1252
Echinococcus granulosus	peregrin	0.0035	0.0217	0.0272
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.0017	0.0021	0.0021
Loa Loa (eye worm)	hypothetical protein	0.006	0.0495	0.0495
Schistosoma mansoni	dishevelled	0.0017	0.0021	0.0021
Trichomonas vaginalis	DNA polymerase eta, putative	0.0105	0.0997	0.0851
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0102	0.1028
Trypanosoma cruzi	DNA polymerase eta, putative	0.0105	0.0997	1
Trypanosoma brucei	DNA polymerase eta, putative	0.0105	0.0997	1
Trypanosoma brucei	unspecified product	0.0105	0.0997	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0105	0.0997	1
Echinococcus multilocularis	jumonji domain containing protein	0.0049	0.0369	0.0464
Loa Loa (eye worm)	glutaminase 2	0.0915	1	1
Echinococcus multilocularis	dna polymerase kappa	0.0105	0.0997	0.1252
Echinococcus granulosus	regulator of G protein signaling 7	0.0017	0.0021	0.0026
Loa Loa (eye worm)	glutaminase	0.0915	1	1
Trichomonas vaginalis	glutaminase, putative	0.0915	1	1
Schistosoma mansoni	hypothetical protein	0.0732	0.7965	0.7965
Leishmania major	DNA damage repair protein, putative	0.0033	0.0191	0.1914
Trypanosoma brucei	small ubiquitin-related modifier	0.003	0.0159	0.1599
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0217	0.0217
Schistosoma mansoni	hypothetical protein	0.0732	0.7965	0.7965
Plasmodium falciparum	DNA repair protein REV1, putative	0.0033	0.0191	0.0655
Leishmania major	DNA polymerase eta, putative	0.0033	0.0191	0.1914
Echinococcus granulosus	segment polarity protein dishevelled	0.0017	0.0021	0.0026
Plasmodium vivax	nicotinate-nucleotide adenylyltransferase, putative	0.0278	0.2912	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0102	0.0102
Trypanosoma cruzi	hypothetical protein, conserved	0.0033	0.0191	0.1914
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0072	0.0625	0.0625
Trypanosoma brucei	DNA polymerase kappa, putative	0.0073	0.0634	0.6361
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0191	0.0191
Trypanosoma brucei	DNA polymerase kappa, putative	0.0033	0.0191	0.1914
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0035	0.0217	0.0272
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0105	0.0997	1
Leishmania major	DNA polymerase kappa, putative	0.0033	0.0191	0.1914
Loa Loa (eye worm)	jmjC domain-containing protein	0.0072	0.0631	0.0631
Schistosoma mansoni	dep domain containing protein	0.0017	0.0021	0.0021
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0105	0.0997	0.1252
Toxoplasma gondii	BRCA1 C Terminus (BRCT) domain-containing protein	0.0033	0.0191	0.8801
Trypanosoma brucei	DNA polymerase kappa, putative	0.0105	0.0997	1
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.0017	0.0021	0.0021
Echinococcus granulosus	tar DNA binding protein	0.0072	0.0625	0.0784
Brugia malayi	jmjC domain containing protein	0.0042	0.0299	0.0299
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0105	0.0997	1
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0115	0.1102	0.1383
Plasmodium vivax	small ubiquitin-related modifier, putative	0.003	0.0159	0.0548
Schistosoma mansoni	dishevelled	0.0017	0.0021	0.0021
Trypanosoma brucei	DNA polymerase kappa, putative	0.0105	0.0997	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0073	0.0634	0.6361
Trypanosoma brucei	DNA polymerase kappa, putative	0.0105	0.0997	1
Schistosoma mansoni	DNA polymerase eta	0.0105	0.0997	0.0997
Mycobacterium ulcerans	glutaminase	0.0915	1	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0102	0.1028
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0105	0.0997	1
Schistosoma mansoni	ubiquitin-like protein sumo/smt3-related	0.003	0.0159	0.0159
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0115	0.1102	0.1383
Brugia malayi	ImpB/MucB/SamB family protein	0.0105	0.0997	0.0997
Trypanosoma brucei	DNA polymerase kappa, putative	0.0105	0.0997	1
Trypanosoma brucei	unspecified product	0.0073	0.0634	0.6361
Mycobacterium ulcerans	DNA polymerase IV	0.0105	0.0997	0.0822
Echinococcus granulosus	geminin	0.0732	0.7965	1
Trypanosoma cruzi	DNA damage repair protein, putative	0.0033	0.0191	0.1914
Schistosoma mansoni	DNA polymerase IV / kappa	0.0033	0.0191	0.0191
Schistosoma mansoni	hypothetical protein	0.0033	0.0199	0.0199
Loa Loa (eye worm)	DIX domain-containing protein	0.0017	0.0021	0.0021
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.0102	0.1028
Schistosoma mansoni	jumonji domain containing protein	0.0091	0.084	0.084
Trypanosoma cruzi	DNA polymerase eta, putative	0.0033	0.0191	0.1914
Leishmania major	DNA polymerase kappa, putative	0.0105	0.0997	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0105	0.0997	1
Echinococcus granulosus	dna polymerase eta	0.0105	0.0997	0.1252
Echinococcus multilocularis	geminin	0.0732	0.7965	1
Loa Loa (eye worm)	PHD-finger family protein	0.0035	0.0217	0.0217
Echinococcus granulosus	PHD finger protein rhinoceros	0.0035	0.0217	0.0272
Mycobacterium leprae	PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC	0.0278	0.2912	0.5
Trypanosoma cruzi	small ubiquitin protein, putative	0.003	0.0159	0.1599
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0021	0.0021
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0105	0.0997	0.3425
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0035	0.0217	0.0217
Trypanosoma brucei	DNA damage repair protein, putative	0.0033	0.0191	0.1914
Brugia malayi	RNA binding protein	0.0072	0.0625	0.0625
Leishmania major	small ubiquitin protein, putative	0.003	0.0159	0.1599
Trypanosoma brucei	DNA polymerase IV, putative	0.0105	0.0997	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0105	0.0997	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0073	0.0634	0.6361
Trypanosoma brucei	DNA polymerase kappa, putative	0.0105	0.0997	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0105	0.0997	1
Echinococcus multilocularis	regulator of G protein signaling 7	0.0017	0.0021	0.0026
Schistosoma mansoni	tar DNA-binding protein	0.0072	0.0625	0.0625
Giardia lamblia	DNA damage repair protein	0.0033	0.0191	0.0374
Trypanosoma cruzi	small ubiquitin protein, putative	0.003	0.0159	0.1599
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.0102	0.0352
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.0371	0.0371
Loa Loa (eye worm)	TAR-binding protein	0.0072	0.0625	0.0625
Echinococcus multilocularis	peregrin	0.0035	0.0217	0.0272
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0371	0.0371
Brugia malayi	ImpB/MucB/SamB family protein	0.0105	0.0997	0.0997
Echinococcus multilocularis	segment polarity protein dishevelled	0.0017	0.0021	0.0026
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0102	0.0352
Trypanosoma brucei	DNA damage repair protein, putative	0.0033	0.0191	0.1914
Trypanosoma brucei	chrX additional, unordered contigs	0.0033	0.0191	0.1914
Trypanosoma brucei	unspecified product	0.0073	0.0634	0.6361
Brugia malayi	DIX domain containing protein	0.0017	0.0021	0.0021
Schistosoma mansoni	hypothetical protein	0.0035	0.0217	0.0217
Plasmodium vivax	DNA repair protein REV1, putative	0.0033	0.0191	0.0655
Schistosoma mansoni	tar DNA-binding protein	0.0072	0.0625	0.0625
Leishmania major	DNA polymerase eta, putative	0.0105	0.0997	1
Toxoplasma gondii	small ubiquitin family modifier, putative	0.003	0.0159	0.7354
Schistosoma mansoni	tar DNA-binding protein	0.0072	0.0625	0.0625
Echinococcus multilocularis	Pleckstrin G protein, interacting region	0.0017	0.0021	0.0026
Plasmodium falciparum	nicotinamide/nicotinic acid mononucleotide adenylyltransferase	0.0278	0.2912	1
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0033	0.0191	0.8801
Trypanosoma brucei	DNA polymerase IV, putative	0.0105	0.0997	1
Toxoplasma gondii	PHD-finger domain-containing protein	0.0035	0.0217	1
Echinococcus multilocularis	regulator of G protein signaling 7	0.0017	0.0021	0.0026
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0105	0.0997	0.0997
Onchocerca volvulus	Alhambra homolog	0.0035	0.0217	0.0527
Brugia malayi	hypothetical protein	0.0016	0.0005	0.0005
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0105	0.0997	0.0997
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0217	0.0745
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0199	0.0199
Loa Loa (eye worm)	jmjC domain-containing protein	0.0042	0.0299	0.0299
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0105	0.0997	1
Mycobacterium ulcerans	bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein	0.0278	0.2912	0.2775
Echinococcus granulosus	lysine specific demethylase 5A	0.0042	0.0299	0.0375
Loa Loa (eye worm)	hypothetical protein	0.0353	0.3746	0.3746
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0042	0.0299	0.0299
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.0371	0.0371
Echinococcus multilocularis	tar DNA binding protein	0.0072	0.0625	0.0784
Schistosoma mansoni	z-protein (S1r protein)	0.0017	0.0021	0.0021
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0105	0.0997	1
Toxoplasma gondii	hypothetical protein	0.0017	0.0021	0.0955
Loa Loa (eye worm)	SMO-1 protein	0.003	0.0159	0.0159
Toxoplasma gondii	PHD-finger domain-containing protein	0.0035	0.0217	1
Loa Loa (eye worm)	G protein signaling regulator EGL-10	0.0017	0.0021	0.0021
Schistosoma mansoni	tar DNA-binding protein	0.0072	0.0625	0.0625
Mycobacterium ulcerans	DNA polymerase IV	0.0105	0.0997	0.0822
Brugia malayi	Ubiquitin-like protein SMT3	0.003	0.0159	0.0159
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0021	0.0021
Schistosoma mansoni	regulator of G protein signaling	0.0017	0.0021	0.0021
Brugia malayi	hypothetical protein	0.0017	0.0021	0.0021
Brugia malayi	Bromodomain containing protein	0.0035	0.0217	0.0217
Trypanosoma brucei	DNA polymerase kappa, putative	0.0033	0.0191	0.1914
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0102	0.0352
Giardia lamblia	PHD finger protein 15	0.0035	0.0217	0.0685
Trypanosoma brucei	hypothetical protein, conserved	0.0033	0.0191	0.1914
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0353	0.3746	1
Loa Loa (eye worm)	hypothetical protein	0.0105	0.0997	0.0997
Plasmodium falciparum	small ubiquitin-related modifier	0.003	0.0159	0.0548
Brugia malayi	PHD-finger family protein	0.0035	0.0217	0.0217
Trypanosoma cruzi	DNA damage repair protein, putative	0.0033	0.0191	0.1914
Echinococcus granulosus	Small ubiquitin modifier 2	0.003	0.0159	0.02
Echinococcus multilocularis	segment polarity protein dishevelled	0.0017	0.0021	0.0026
Loa Loa (eye worm)	RNA binding protein	0.0072	0.0625	0.0625
Echinococcus multilocularis	Small ubiquitin modifier 2	0.003	0.0159	0.02
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0105	0.0997	0.1252
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0105	0.0997	0.3425
Brugia malayi	TAR-binding protein	0.0072	0.0625	0.0625
Brugia malayi	RNA recognition motif domain containing protein	0.0072	0.0625	0.0625
Plasmodium falciparum	phd finger protein, putative	0.0035	0.0217	0.0745
Schistosoma mansoni	fyve finger-containing phosphoinositide kinase fyv1	0.0017	0.0021	0.0021
Treponema pallidum	hypothetical protein	0.0278	0.2912	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0033	0.0191	0.1914
Brugia malayi	regulator of G-protein signaling egl-10	0.0017	0.0021	0.0021
Echinococcus multilocularis	dna polymerase eta	0.0105	0.0997	0.1252
Echinococcus multilocularis	lysine specific demethylase 5A	0.0042	0.0299	0.0375
Echinococcus granulosus	Pleckstrin G protein interacting region	0.0017	0.0021	0.0026

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (binding)	= 19 %	In vitro inhibitory activity against Histamine H3 receptor at a concentration of 1 ug/mL	ChEMBL.	12182878
Inhibition (binding)	= 19 %	In vitro inhibitory activity against Histamine H3 receptor at a concentration of 1 ug/mL	ChEMBL.	12182878

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 143939