TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 298.423 | Formula: C19H26N2O
H donors: 0 H acceptors: 2 LogP: 3.16 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CN(C(=O)C12CC3CC(C2)CC(C1)C3)Cc1cccc(n1)C
InChi: 1S/C19H26N2O/c1-13-4-3-5-17(20-13)12-21(2)18(22)19-9-14-6-15(10-19)8-16(7-14)11-19/h3-5,14-16H,6-12H2,1-2H3
InChiKey: BBLGJBFMUMFXQW-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
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0081	0.0081
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0187	0.3745	0.3745
Schistosoma mansoni	tubulin subunit alpha	0.0078	0.11	0.1084
Schistosoma mansoni	transcription factor LCR-F1	0.0042	0.0237	0.0219
Loa Loa (eye worm)	alpha-tubulin	0.0187	0.3745	0.3733
Entamoeba histolytica	hypothetical protein	0.0042	0.0237	0.0237
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.0078	0.11	0.11
Echinococcus granulosus	tubulin alpha	0.0179	0.3551	0.3539
Echinococcus multilocularis	tubulin epsilon chain	0.0179	0.3551	0.3539
Trypanosoma brucei	alpha tubulin	0.0187	0.3745	0.3745
Echinococcus multilocularis	tubulin delta chain	0.0078	0.11	0.1084
Leishmania major	alpha tubulin	0.0187	0.3745	0.3745
Schistosoma mansoni	hypothetical protein	0.0042	0.0237	0.0219
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.0412	0.0394
Leishmania major	alpha tubulin	0.0187	0.3745	0.3745
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.0412	0.0394
Trichomonas vaginalis	tubulin alpha chain, putative	0.0101	0.1671	0.1671
Trichomonas vaginalis	tubulin beta chain, putative	0.0187	0.3745	0.3745
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0187	0.3745	0.3745
Loa Loa (eye worm)	tubulin alpha-2 chain	0.0187	0.3745	0.3733
Entamoeba histolytica	tubulin alpha chain, putative	0.0187	0.3745	0.3745
Schistosoma mansoni	tubulin subunit beta	0.0078	0.11	0.1084
Loa Loa (eye worm)	beta-lactamase	0.0036	0.0081	0.0062
Echinococcus granulosus	tubulin alpha chain	0.0187	0.3745	0.3733
Trichomonas vaginalis	tubulin beta chain, putative	0.0101	0.1671	0.1671
Trichomonas vaginalis	tubulin beta chain, putative	0.0187	0.3745	0.3745
Schistosoma mansoni	tubulin subunit alpha	0.0187	0.3745	0.3733
Leishmania major	gamma-tubulin	0.0179	0.3551	0.3551
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0081	0.0081
Trypanosoma brucei	alpha tubulin	0.0187	0.3745	0.3745
Echinococcus multilocularis	tubulin alpha chain	0.0187	0.3745	0.3733
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0101	0.1671	0.1671
Leishmania major	alpha tubulin	0.0187	0.3745	0.3745
Echinococcus multilocularis	tubulin alpha 1C chain	0.0187	0.3745	0.3733
Echinococcus multilocularis	tubulin alpha chain	0.0187	0.3745	0.3733
Echinococcus granulosus	Tubulin alpha 1 chain	0.0187	0.3745	0.3733
Trichomonas vaginalis	tubulin alpha chain, putative	0.0101	0.1671	0.1671
Loa Loa (eye worm)	hypothetical protein	0.0109	0.1864	0.1849
Brugia malayi	Tubulin alpha chain	0.0078	0.11	0.1084
Trypanosoma brucei	alpha tubulin, putative	0.0101	0.1671	0.1671
Echinococcus multilocularis	tubulin gamma 1 chain	0.0179	0.3551	0.3539
Echinococcus multilocularis	tubulin alpha	0.0179	0.3551	0.3539
Leishmania major	epsilon tubulin, putative	0.0179	0.3551	0.3551
Trichomonas vaginalis	tubulin beta-1 chain, putative	0.0078	0.11	0.11
Leishmania major	delta tubulin, putative	0.0078	0.11	0.11
Trichomonas vaginalis	conserved hypothetical protein	0.0078	0.11	0.11
Trypanosoma brucei	hypothetical protein, conserved	0.0036	0.0081	0.0081
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0081	0.0062
Giardia lamblia	Alpha-tubulin	0.0187	0.3745	0.2972
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.0078	0.11	0.11
Loa Loa (eye worm)	tubulin alpha chain	0.0187	0.3745	0.3733
Schistosoma mansoni	alpha tubulin	0.0187	0.3745	0.3733
Brugia malayi	beta-lactamase family protein	0.0036	0.0081	0.0062
Brugia malayi	Tubulin gamma chain	0.0179	0.3551	0.3539
Trichomonas vaginalis	tubulin, putative	0.0078	0.11	0.11
Trichomonas vaginalis	esterase, putative	0.0036	0.0081	0.0081
Echinococcus multilocularis	tubulin subunit TubB	0.0187	0.3745	0.3733
Echinococcus granulosus	tubulin alpha 3 chain	0.0187	0.3745	0.3733
Echinococcus granulosus	tubulin alpha chain	0.0187	0.3745	0.3733
Trichomonas vaginalis	tubulin beta chain, putative	0.0187	0.3745	0.3745
Leishmania major	zeta tubulin, putative	0.0078	0.11	0.11
Leishmania major	hypothetical protein, conserved	0.0036	0.0081	0.0081
Plasmodium falciparum	alpha tubulin 2	0.0187	0.3745	0.2972
Plasmodium vivax	tubulin alpha chain, putative	0.0187	0.3745	0.3694
Trypanosoma brucei	tubulin gamma chain	0.0179	0.3551	0.3551
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.0081	0.0062
Loa Loa (eye worm)	tubulin beta chain	0.0078	0.11	0.1084
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0187	0.3745	0.3733
Leishmania major	alpha tubulin	0.0187	0.3745	0.3745
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0081	0.0081
Trypanosoma cruzi	epsilon tubulin, putative	0.0179	0.3551	0.3551
Echinococcus granulosus	tubulin alpha chain	0.0187	0.3745	0.3733
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0081	0.0081
Loa Loa (eye worm)	transcription factor SMAD2	0.014	0.2597	0.2583
Onchocerca volvulus		0.0101	0.1671	1
Trypanosoma cruzi	tubulin delta chain	0.0078	0.11	0.11
Plasmodium falciparum	tubulin gamma chain	0.0179	0.3551	0.2754
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0081	0.0062
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0227	0.4724	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.014	0.2597	0.2583
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0109	0.1864	0.1864
Brugia malayi	Tubulin alpha-2 chain	0.0187	0.3745	0.3733
Echinococcus granulosus	Tubulin alpha 1 chain	0.0187	0.3745	0.3733
Loa Loa (eye worm)	alpha-tubulin isotype 2	0.0109	0.1864	0.1849
Trypanosoma brucei	epsilon tubulin	0.0179	0.3551	0.3551
Echinococcus granulosus	Tubulin alpha 1 chain	0.0187	0.3745	0.3733
Mycobacterium leprae	cell division protein FtsZ	0.0078	0.11	1
Trichomonas vaginalis	tubulin, putative	0.0101	0.1671	0.1671
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0187	0.3745	0.3745
Brugia malayi	hypothetical protein	0.0042	0.0237	0.0219
Brugia malayi	Tubulin alpha-2 chain	0.0187	0.3745	0.3733
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.0081	0.0062
Trichomonas vaginalis	rotamase, putative	0.0033	0.0019	0.0019
Trichomonas vaginalis	tubulin gamma chain, putative	0.0179	0.3551	0.3551
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0081	0.0081
Plasmodium vivax	tubulin epsilon chain, putative	0.0179	0.3551	0.3499
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0412	0.0394
Trypanosoma brucei	zeta tubulin	0.0078	0.11	0.11
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0086	0.1294	0.1294
Trichomonas vaginalis	tubulin, putative	0.0101	0.1671	0.1671
Loa Loa (eye worm)	tubulin alpha-3 chain	0.0086	0.1294	0.1278
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0081	0.0062
Echinococcus multilocularis	tubulin alpha chain	0.0187	0.3745	0.3733
Trypanosoma brucei	alpha tubulin	0.0187	0.3745	0.3745
Trypanosoma cruzi	alpha tubulin, putative	0.0187	0.3745	0.3745
Echinococcus multilocularis	tubulin alpha chain	0.0187	0.3745	0.3733
Plasmodium falciparum	tubulin epsilon chain, putative	0.0179	0.3551	0.2754
Trypanosoma cruzi	tubulin gamma chain	0.0179	0.3551	0.3551
Entamoeba histolytica	hypothetical protein	0.0042	0.0237	0.0237
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0081	0.0081
Echinococcus granulosus	tubulin alpha 3 chain	0.0187	0.3745	0.3733
Schistosoma mansoni	tubulin subunit epsilon	0.0179	0.3551	0.3539
Echinococcus granulosus	peroxisome assembly protein 26	0.0187	0.3745	0.3733
Entamoeba histolytica	hypothetical protein	0.0042	0.0237	0.0237
Loa Loa (eye worm)	alpha-tubulin	0.0187	0.3745	0.3733
Brugia malayi	tubulin alpha-2 chain	0.0187	0.3745	0.3733
Loa Loa (eye worm)	tubulin alpha 2	0.0109	0.1864	0.1849
Plasmodium vivax	tubulin gamma chain, putative	0.0179	0.3551	0.3499
Toxoplasma gondii	alpha tubulin TUBA1	0.0187	0.3745	0.3745
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0081	0.0062
Loa Loa (eye worm)	hypothetical protein	0.0086	0.1294	0.1278
Wolbachia endosymbiont of Brugia malayi	cell division protein FtsZ	0.0078	0.11	0.5
Echinococcus granulosus	alpha tubulin	0.0187	0.3745	0.3733
Leishmania major	alpha tubulin	0.0187	0.3745	0.3745
Echinococcus multilocularis	tubulin alpha chain	0.0187	0.3745	0.3733
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0035	0.0016
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0081	0.0081
Echinococcus multilocularis	tubulin alpha 3 chain	0.0187	0.3745	0.3733
Schistosoma mansoni	tubulin subunit alpha	0.0187	0.3745	0.3733
Plasmodium vivax	delta tubulin, putative	0.0078	0.11	0.1028
Trichomonas vaginalis	tubulin beta chain, putative	0.0187	0.3745	0.3745
Toxoplasma gondii	alpha-tubulin I, putative	0.0187	0.3745	0.3745
Trypanosoma cruzi	zeta tubulin, putative	0.0078	0.11	0.11
Trypanosoma brucei	alpha tubulin	0.0187	0.3745	0.3745
Schistosoma mansoni	hypothetical protein	0.0034	0.0035	0.0016
Trichomonas vaginalis	tubulin beta chain, putative	0.0187	0.3745	0.3745
Brugia malayi	MH2 domain containing protein	0.014	0.2597	0.2583
Brugia malayi	beta-lactamase family protein	0.0036	0.0081	0.0062
Giardia lamblia	Alpha-tubulin	0.0187	0.3745	0.2972
Mycobacterium ulcerans	cell division protein FtsZ	0.0078	0.11	1
Leishmania major	alpha tubulin	0.0187	0.3745	0.3745
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0081	0.0062
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.0081	0.0062
Brugia malayi	Cell division protein ftsZ	0.0078	0.11	0.1084
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.0179	0.3551	0.3551
Brugia malayi	tubulin alpha chain - mouse	0.0187	0.3745	0.3733
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0042	0.0237	0.0219
Treponema pallidum	cell division protein FtsZ	0.0078	0.11	0.5
Brugia malayi	alpha-tubulin	0.0187	0.3745	0.3733
Trichomonas vaginalis	tubulin gamma chain, putative	0.0078	0.11	0.11
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0035	0.0016
Trypanosoma brucei	epsilon tubulin	0.0179	0.3551	0.3551
Echinococcus multilocularis	tubulin alpha 3 chain	0.0187	0.3745	0.3733
Leishmania major	alpha tubulin	0.0187	0.3745	0.3745
Brugia malayi	Tubulin alpha chain	0.0187	0.3745	0.3733
Schistosoma mansoni	tubulin subunit alpha	0.0187	0.3745	0.3733
Leishmania major	alpha tubulin	0.0187	0.3745	0.3745
Loa Loa (eye worm)	hypothetical protein	0.0187	0.3745	0.3733
Brugia malayi	beta-lactamase	0.0036	0.0081	0.0062
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.0081	0.0062
Entamoeba histolytica	tubulin alpha-1 chain	0.0187	0.3745	0.3745
Schistosoma mansoni	tubulin subunit gamma	0.0179	0.3551	0.3539
Trypanosoma brucei	tubulin delta chain	0.0078	0.11	0.11
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0078	0.11	0.11
Echinococcus granulosus	tubulin alpha 1C chain	0.0187	0.3745	0.3733
Brugia malayi	Tubulin beta chain	0.0101	0.1671	0.1655
Echinococcus granulosus	tubulin delta chain	0.0078	0.11	0.1084
Plasmodium falciparum	alpha tubulin 1	0.0187	0.3745	0.2972
Echinococcus granulosus	tubulin epsilon chain	0.0179	0.3551	0.3539
Echinococcus granulosus	tubulin alpha chain	0.0187	0.3745	0.3733
Trypanosoma cruzi	tubulin delta chain	0.0078	0.11	0.11
Leishmania major	alpha tubulin	0.0187	0.3745	0.3745
Loa Loa (eye worm)	tubulin gamma chain	0.0179	0.3551	0.3539
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0081	0.0062
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0187	0.3745	0.3733
Leishmania major	alpha tubulin	0.0187	0.3745	0.3745
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0042	0.0237	0.0219
Entamoeba histolytica	hypothetical protein	0.0042	0.0237	0.0237
Loa Loa (eye worm)	tubulin alpha 2	0.0109	0.1864	0.1849
Trichomonas vaginalis	conserved hypothetical protein	0.0033	0.0019	0.0019
Trypanosoma cruzi	epsilon tubulin, putative	0.0179	0.3551	0.3551
Mycobacterium tuberculosis	Cell division protein FtsZ	0.0078	0.11	0.2195
Trypanosoma brucei	zeta tubulin, putative	0.0078	0.11	0.11
Echinococcus multilocularis	hypothetical protein	0.0187	0.3745	0.3733
Trypanosoma brucei	beta tubulin	0.0179	0.3551	0.3551
Trichomonas vaginalis	tubulin alpha chain, putative	0.0179	0.3551	0.3551
Schistosoma mansoni	tubulin subunit delta	0.0078	0.11	0.1084
Leishmania major	alpha tubulin	0.0187	0.3745	0.3745
Entamoeba histolytica	tubulin gamma chain	0.0179	0.3551	0.3551
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.0412	0.0394
Trypanosoma brucei	epsilon tubulin	0.0179	0.3551	0.3551
Schistosoma mansoni	alpha tubulin	0.0187	0.3745	0.3733
Trypanosoma cruzi	zeta tubulin, putative	0.0078	0.11	0.11
Trichomonas vaginalis	tubulin alpha chain, putative	0.0101	0.1671	0.1671
Trichomonas vaginalis	conserved hypothetical protein	0.0078	0.11	0.11
Echinococcus granulosus	tubulin alpha 1C chain	0.0187	0.3745	0.3733
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0081	0.0062
Loa Loa (eye worm)	tubulin alpha chain	0.0187	0.3745	0.3733
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0081	0.0062
Brugia malayi	Tubulin beta chain	0.0078	0.11	0.1084
Toxoplasma gondii	ABC1 family protein	0.0036	0.0081	0.0081
Trichomonas vaginalis	tubulin gamma chain, putative	0.0179	0.3551	0.3551
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0187	0.3745	0.3733
Echinococcus multilocularis	peroxisome assembly protein 26	0.0187	0.3745	0.3733
Leishmania major	alpha tubulin	0.0187	0.3745	0.3745
Echinococcus granulosus	tubulin subunit TubB	0.0187	0.3745	0.3733
Giardia lamblia	Gamma tubulin	0.0179	0.3551	0.2754
Schistosoma mansoni	alpha tubulin	0.0187	0.3745	0.3733
Echinococcus multilocularis	tubulin alpha 1C chain	0.0187	0.3745	0.3733
Trichomonas vaginalis	tubulin beta chain, putative	0.0187	0.3745	0.3745
Plasmodium vivax	tubulin alpha chain, putative	0.0187	0.3745	0.3694
Echinococcus granulosus	tubulin alpha chain	0.0187	0.3745	0.3733
Echinococcus granulosus	tubulin gamma 1 chain	0.0179	0.3551	0.3539

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (binding)		Inhibition of human 17beta-HSD1 in human T47D cells assessed as conversion of [3H]E1 to [3H]E2 at 10 uM after 30 mins	ChEMBL.	23040895
Inhibition (binding)		Inhibition of human 11beta-HSD2 expressed in CHO cells assessed as conversion of [3H]cortisone to [3H]cortisol at 10 uM after 2 hrs	ChEMBL.	23040895
Inhibition (binding)	= 48 %	Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]cortisone to [3H]cortisol at 1 uM after 2 hrs by scintillation counting	ChEMBL.	23040895

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: CHEMBL2159643

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 1722942