TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 286.412 | Formula: C18H26N2O
H donors: 1 H acceptors: 1 LogP: 3.2 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C(CC12CC3CC(C2)CC(C1)C3)NCc1cccn1C
InChi: 1S/C18H26N2O/c1-20-4-2-3-16(20)12-19-17(21)11-18-8-13-5-14(9-18)7-15(6-13)10-18/h2-4,13-15H,5-12H2,1H3,(H,19,21)
InChiKey: IZBQNTQBTRAZDC-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

Species	Target name	Source	Bibliographic reference
Homo sapiens	hydroxysteroid (11-beta) dehydrogenase 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Mycobacterium ulcerans	short chain dehydrogenase	Get druggable targets OG5_132866	All targets in OG5_132866
Mycobacterium tuberculosis	Probable oxidoreductase	Get druggable targets OG5_132866	All targets in OG5_132866

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Plasmodium falciparum	steroid dehydrogenase, putative	hydroxysteroid (11-beta) dehydrogenase 1	292 aa	250 aa	24.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Plasmodium falciparum	protein farnesyltransferase subunit beta	0.0117	0.1253	0.2885
Echinococcus granulosus	aminopeptidase N	0.0254	0.3185	0.3185
Toxoplasma gondii	prenyltransferase and squalene oxidase repeat-containing protein	0.0117	0.1253	0.4101
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0139	0.1559	0.4092
Trypanosoma cruzi	metallo-peptidase, Clan MA(E) Family M1	0.0048	0.0279	0.0635
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0294	0.3748	1
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0139	0.1559	0.4092
Toxoplasma gondii	Rab geranylgeranyl transferase type II beta subunit, putative	0.0032	0.0043	0.0091
Trichomonas vaginalis	geranylgeranyl transferase type II beta subunit, putative	0.0117	0.1253	0.2885
Mycobacterium tuberculosis	Probable oxidoreductase	0.0338	0.4377	1
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0041	0.0177	0.0361
Trichomonas vaginalis	type I geranylgeranyltransferase beta subunit, putative	0.0117	0.1253	0.2885
Echinococcus multilocularis	ankyrin repeat protein	0.0169	0.199	0.1978
Schistosoma mansoni	thyroid hormone receptor	0.0143	0.1619	0.1606
Onchocerca volvulus		0.0254	0.3185	1
Brugia malayi	Peptidase family M1 containing protein	0.0254	0.3185	0.7511
Brugia malayi	hypothetical protein	0.0075	0.065	0.1504
Trypanosoma brucei	Aminopeptidase M1, putative	0.0075	0.065	0.1639
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0075	0.065	0.0636
Giardia lamblia	Rab geranylgeranyltransferase	0.0328	0.4236	1
Toxoplasma gondii	hypothetical protein	0.0047	0.0263	0.082
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0075	0.065	0.065
Onchocerca volvulus		0.0075	0.065	0.2003
Trypanosoma brucei	protein farnesyltransferase beta subunit	0.0117	0.1253	0.3266
Brugia malayi	Prenyltransferase and squalene oxidase repeat family protein	0.0117	0.1253	0.2932
Trypanosoma cruzi	protein farnesyltransferase, putative	0.0117	0.1253	0.3266
Giardia lamblia	Prenyltransferase	0.0117	0.1253	0.2885
Entamoeba histolytica	rodhanase-like domain containing protein	0.011	0.1152	0.2644
Trichomonas vaginalis	geranylgeranyl transferase type II beta subunit, putative	0.0117	0.1253	0.2885
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0041	0.0177	0.0361
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1	0.0075	0.065	0.1639
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0075	0.065	0.0636
Trypanosoma cruzi	protein farnesyltransferase alpha subunit, putative	0.0085	0.0797	0.2034
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0085	0.0797	0.0782
Loa Loa (eye worm)	hypothetical protein	0.0179	0.2128	0.5005
Trypanosoma brucei	hypothetical protein, conserved	0.0085	0.0797	0.2034
Echinococcus granulosus	histone lysine methyltransferase setb	0.003	0.0016	0.0016
Loa Loa (eye worm)	hypothetical protein	0.0228	0.2814	0.663
Trypanosoma brucei	protein farnesyltransferase alpha subunit, putative	0.0085	0.0797	0.2034
Trichomonas vaginalis	cdc25b, putative	0.011	0.1152	0.2644
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0143	0.1619	0.1606
Trichomonas vaginalis	protein farnesyltransferase alpha subunit, putative	0.0085	0.0797	0.1797
Onchocerca volvulus		0.011	0.1152	0.3584
Schistosoma mansoni	transient receptor potential cation channel subfamily A member	0.0169	0.199	0.1978
Echinococcus multilocularis	protein farnesyltransferase alpha subunit	0.0328	0.4236	0.4227
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0139	0.1559	0.4092
Loa Loa (eye worm)	hypothetical protein	0.011	0.1152	0.2692
Leishmania major	farnesyltransferase beta subunit	0.0117	0.1253	0.3266
Brugia malayi	Protein prenyltransferase alpha subunit repeat containing protein	0.0085	0.0797	0.1851
Echinococcus multilocularis	protein farnesyltransferase subunit beta	0.0117	0.1253	0.1239
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0041	0.0177	0.0361
Trichomonas vaginalis	cdc25b, putative	0.011	0.1152	0.2644
Toxoplasma gondii	prenyltransferase and squalene oxidase repeat-containing protein	0.0032	0.0043	0.0091
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0208	0.254	0.5982
Schistosoma mansoni	m-phase inducer phosphatase(cdc25)	0.011	0.1152	0.1138
Toxoplasma gondii	hypothetical protein	0.0243	0.3032	1
Echinococcus multilocularis	transient receptor potential cation channel	0.017	0.1994	0.1981
Schistosoma mansoni	protein farnesyltransferase alpha subunit	0.0328	0.4236	0.4227
Schistosoma mansoni	thyroid hormone receptor	0.0143	0.1619	0.1606
Mycobacterium ulcerans	short chain dehydrogenase	0.0338	0.4377	1
Brugia malayi	Protein prenyltransferase alpha subunit repeat containing protein	0.0328	0.4236	1
Plasmodium vivax	prenyltransferase alpha subunit, putative	0.0328	0.4236	1
Trypanosoma cruzi	protein farnesyltransferase, putative	0.0117	0.1253	0.3266
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0043	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0279	0.0623
Plasmodium falciparum	geranylgeranyl transferase type-2 subunit alpha, putative	0.0085	0.0797	0.1797
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0075	0.065	0.0636
Echinococcus multilocularis	geranylgeranyl transferase type 2 subunit alpha	0.0085	0.0797	0.0782
Toxoplasma gondii	hypothetical protein	0.0085	0.0797	0.2589
Echinococcus granulosus	protein farnesyltransferase alpha subunit	0.0328	0.4236	0.4236
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0043	0.0065
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0294	0.3748	1
Schistosoma mansoni	geranylgeranyl transferase type I beta subunit	0.0032	0.0043	0.0028
Schistosoma mansoni	geranylgeranyl transferase type II beta subunit	0.0032	0.0043	0.0028
Trichomonas vaginalis	geranylgeranyl transferase type beta subunit, putative	0.0117	0.1253	0.2885
Trichomonas vaginalis	protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative	0.0243	0.3032	0.7129
Schistosoma mansoni	hypothetical protein	0.0104	0.1059	0.1045
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.0075	0.065	0.1639
Plasmodium vivax	geranylgeranyltransferase, putative	0.0032	0.0043	0.0065
Entamoeba histolytica	Rab geranylgeranyltransferase alpha subunit, putative	0.0085	0.0797	0.1797
Echinococcus multilocularis	aminopeptidase N	0.0254	0.3185	0.3175
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0041	0.0177	0.0361
Trichomonas vaginalis	m-phase inducer phosphatase, putative	0.011	0.1152	0.2644
Echinococcus multilocularis	Peptidase M1, membrane alanine aminopeptidase, N terminal	0.0075	0.065	0.0636
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0133	0.1469	0.1469
Loa Loa (eye worm)	hypothetical protein	0.011	0.1152	0.2692
Trypanosoma brucei	metallo-peptidase, Clan MA(E) Family M1	0.0075	0.065	0.1639
Trichomonas vaginalis	protein farnesyltransferase alpha subunit, putative	0.0328	0.4236	1
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0232	0.2873	0.677
Brugia malayi	Prenyltransferase and squalene oxidase repeat family protein	0.0032	0.0043	0.0065
Leishmania major	mitochondrial DNA polymerase beta	0.0294	0.3748	1
Loa Loa (eye worm)	prenyltransferase alpha subunit repeat containing protein	0.0085	0.0797	0.1851
Trypanosoma cruzi	protein farnesyltransferase alpha subunit, putative	0.0085	0.0797	0.2034
Loa Loa (eye worm)	prenyltransferase alpha subunit repeat containing protein	0.0328	0.4236	1
Leishmania major	aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	0.0075	0.065	0.1639
Echinococcus multilocularis	protein prenyltransferase alpha subunit	0.0085	0.0797	0.0782
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0279	0.0623
Schistosoma mansoni	family M1 non-peptidase homologue (M01 family)	0.0048	0.0279	0.0263
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0075	0.065	0.065
Echinococcus granulosus	ankyrin repeat protein	0.0169	0.199	0.199
Plasmodium vivax	protein prenyltransferase alpha subunit, putative	0.0085	0.0797	0.1851
Trypanosoma brucei	Aminopeptidase M1, putative	0.0075	0.065	0.1639
Plasmodium vivax	farnesyltransferase beta subunit, putative	0.0117	0.1253	0.2932
Trichomonas vaginalis	mitotic inducer phosphatase CDC25, putative	0.011	0.1152	0.2644
Onchocerca volvulus		0.0237	0.2951	0.9261
Echinococcus multilocularis	m phase inducer phosphatase(cdc25)	0.011	0.1152	0.1138
Schistosoma mansoni	geranylgeranyl transferase type I beta subunit	0.0032	0.0043	0.0028
Entamoeba histolytica	aminopeptidase, putative	0.0075	0.065	0.1448
Giardia lamblia	Rab geranylgeranyltransferase	0.0085	0.0797	0.1797
Trichomonas vaginalis	cdc25c, putative	0.011	0.1152	0.2644
Plasmodium falciparum	protein farnesyltransferase subunit alpha	0.0328	0.4236	1
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0075	0.065	0.0636
Brugia malayi	Probable protein farnesyltransferase beta subunit, putative	0.0032	0.0043	0.0065
Mycobacterium ulcerans	hypothetical protein	0.0155	0.1781	0.3035
Loa Loa (eye worm)	hypothetical protein	0.0102	0.103	0.2403
Plasmodium vivax	conserved Plasmodium protein, unknown function	0.0085	0.0803	0.1865
Brugia malayi	Pre-SET motif family protein	0.0208	0.254	0.5982
Trichomonas vaginalis	set domain proteins, putative	0.0237	0.2947	0.6927
Loa Loa (eye worm)	hypothetical protein	0.0102	0.103	0.2403
Loa Loa (eye worm)	hypothetical protein	0.0328	0.4236	1
Brugia malayi	Peptidase family M1 containing protein	0.0075	0.065	0.1504
Leishmania major	protein farnesyltransferase alpha subunit, putative	0.0085	0.0797	0.2034
Trichomonas vaginalis	m-phase inducer phosphatase, putative	0.011	0.1152	0.2644
Trypanosoma brucei	RNA helicase, putative	0.0104	0.1059	0.2742
Trichomonas vaginalis	protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative	0.0328	0.4236	1
Echinococcus granulosus	m phase inducer phosphatasecdc25	0.011	0.1152	0.1152
Loa Loa (eye worm)	prenyltransferase and squalene oxidase repeat family protein	0.0117	0.1253	0.2932
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0075	0.065	0.065
Echinococcus granulosus	geranylgeranyl transferase type 2 subunit alpha	0.0085	0.0797	0.0797
Entamoeba histolytica	rodhanase-like domain containing protein	0.011	0.1152	0.2644
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0075	0.065	0.0636
Trichomonas vaginalis	geranylgeranyl transferase type I beta subunit, putative	0.0117	0.1253	0.2885
Brugia malayi	Rhodanese-like domain containing protein	0.011	0.1152	0.2692
Echinococcus multilocularis	Rab geranylgeranyltransferase, beta subunit	0.0032	0.0043	0.0028
Echinococcus granulosus	geranylgeranyl transferase type I beta subunit	0.0032	0.0043	0.0043
Echinococcus granulosus	transient receptor potential cation channel	0.0169	0.199	0.199
Trichomonas vaginalis	geranylgeranyl transferase type II beta subunit, putative	0.0117	0.1253	0.2885
Trypanosoma cruzi	Aminopeptidase M1, putative	0.0075	0.065	0.1639
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0075	0.065	0.065
Echinococcus granulosus	protein prenyltransferase alpha subunit	0.0085	0.0797	0.0797
Loa Loa (eye worm)	aminopeptidase N	0.0075	0.065	0.1504
Entamoeba histolytica	rodhanase-like domain containing protein	0.011	0.1152	0.2644
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0075	0.065	0.1448
Echinococcus granulosus	protein farnesyltransferase subunit beta	0.0117	0.1253	0.1253
Echinococcus multilocularis	geranylgeranyl transferase type I beta subunit	0.0032	0.0043	0.0028
Onchocerca volvulus		0.011	0.1152	0.3584
Trichomonas vaginalis	protein farnesyltransferase alpha subunit, putative	0.0328	0.4236	1
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0075	0.065	0.0636
Onchocerca volvulus		0.0085	0.0797	0.2464
Schistosoma mansoni	hypothetical protein	0.0133	0.1469	0.1455
Trypanosoma cruzi	hypothetical protein, conserved	0.0085	0.0797	0.2034
Plasmodium vivax	geranylgeranyl transferase type2 beta subunit, putative	0.0032	0.0043	0.0065
Brugia malayi	follicle stimulating hormone receptor	0.0232	0.2873	0.677
Trypanosoma brucei	Protein prenyltransferase alpha subunit repeat, putative	0.0085	0.0797	0.2034
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0294	0.3748	1
Entamoeba histolytica	protein farnesyltransferase alpha subunit, putative	0.0328	0.4236	1
Trypanosoma cruzi	Protein prenyltransferase alpha subunit repeat, putative	0.0085	0.0797	0.2034
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0075	0.065	0.1448
Schistosoma mansoni	protein farnesyltransferase subunit beta	0.0117	0.1253	0.1239
Trichomonas vaginalis	mitotic inducer phosphatase CDC25, putative	0.011	0.1152	0.2644
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0048	0.0279	0.0263
Loa Loa (eye worm)	peptidase family M1 containing protein	0.0205	0.25	0.5886
Trypanosoma cruzi	hypothetical protein, conserved	0.0085	0.0797	0.2034
Trypanosoma cruzi	aminopeptidase, putative	0.0075	0.065	0.1639
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0133	0.1469	0.1455
Entamoeba histolytica	protein farnesyltransferase beta subunit, putative	0.0117	0.1253	0.2885
Onchocerca volvulus		0.011	0.1152	0.3584
Onchocerca volvulus		0.011	0.1152	0.3584
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0155	0.1781	0.4011
Schistosoma mansoni	cytosol alanyl aminopeptidase (M01 family)	0.0075	0.065	0.0636
Trypanosoma brucei	Protein prenyltransferase alpha subunit repeat, putative	0.0085	0.0797	0.2034
Trichomonas vaginalis	mitotic inducer phosphatase CDC25, putative	0.011	0.1152	0.2644
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.005	0.0305	0.0706
Brugia malayi	Rhodanese-like domain containing protein	0.011	0.1152	0.2692
Loa Loa (eye worm)	prenyltransferase and squalene oxidase repeat family protein	0.0032	0.0043	0.0065

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 2880 nM	Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]cortisone to [3H]cortisol after 2 hrs by scintillation counting	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)		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

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: CHEMBL2159066

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 1723548