TDR Targets

Basic information

Technical information

TDR Targets ID: 2203329
Name: 110037-64-4
MW: 270.173 | Formula: C17H22N2O
H donors: 1 H acceptors: 1 LogP: 1.1 Rotable bonds: 0
Rule of 5 violations (Lipinski): 0
SMILES: CC1=C[C@H]2Cc3c([C@@]4(C1)[C@@H]2CCCN4C)ccc(=O)[nH]3
InChi: InChI=1S/C17H22N2O/c1-11-8-12-9-15-14(5-6-16(20)18-15)17(10-11)13(12)4-3-7-19(17)2/h5-6,8,12-13H,3-4,7,9-10H2,1-2H3,(H,18,20)/t12-,13+,17+/m0/s1
InChiKey: JCINWKNLTDEYIA-OGHNNQOOSA-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

Lycodin-1(18H)-one, 8,15-didehydro-17-methyl-
N-Methylhuperzine B

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
Entamoeba histolytica	hypothetical protein, conserved	0.003	0	0.5
Schistosoma mansoni	DNA polymerase alpha catalytic subunit	0.0059	0.0186	0.0302
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0062	0.0209	0.0338
Brugia malayi	Carboxylesterase family protein	0.0368	0.2184	1
Echinococcus granulosus	acetylcholinesterase	0.0368	0.2184	0.4732
Loa Loa (eye worm)	acetylcholinesterase 1	0.0368	0.2184	1
Trypanosoma brucei	RNA helicase, putative	0.0986	0.6167	1
Echinococcus granulosus	Desert hedgehog protein	0.0745	0.4615	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0078	0.0311	0.0675
Echinococcus granulosus	DNA polymerase alpha catalytic subunit	0.0059	0.0186	0.0404
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0078	0.0311	0.0311
Loa Loa (eye worm)	hypothetical protein	0.0202	0.1113	0.4776
Brugia malayi	Carboxylesterase family protein	0.0062	0.0209	0.0454
Echinococcus multilocularis	hedgehog	0.0745	0.4615	0.4615
Onchocerca volvulus		0.0062	0.0209	0.3853
Loa Loa (eye worm)	hypothetical protein	0.0169	0.0896	0.3721
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0325	0.1902	0.3085
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0139	0.0705	0.2788
Schistosoma mansoni	hypothetical protein	0.0543	0.3309	0.5366
Schistosoma mansoni	hypothetical protein	0.0169	0.0896	0.1454
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0139	0.0705	0.1144
Onchocerca volvulus		0.0062	0.0209	0.3853
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0062	0.0209	0.0338
Echinococcus granulosus	GPCR family 2	0.0078	0.0311	0.0675
Echinococcus multilocularis	acetylcholinesterase	0.0368	0.2184	0.2184
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0247	0.1401	0.618
Loa Loa (eye worm)	hypothetical protein	0.0368	0.2184	1
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0062	0.0209	0.0209
Echinococcus granulosus	tumor protein p63	0.0346	0.2038	0.4417
Trypanosoma brucei	PAB1-binding protein , putative	0.0077	0.0306	0.0496
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0139	0.0705	0.2854
Entamoeba histolytica	DNA repair and recombination protein, putative	0.003	0	0.5
Echinococcus multilocularis	DNA polymerase alpha catalytic subunit	0.0059	0.0186	0.0186
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0046	0.0102	0.0534
Echinococcus granulosus	DNA polymerase subunit gamma	0.0106	0.0491	0.1065
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0247	0.1401	0.6215
Brugia malayi	Carboxylesterase family protein	0.0062	0.0209	0.0454
Giardia lamblia	DNA polymerase alpha subunit A	0.005	0.0128	1
Schistosoma mansoni	hypothetical protein	0.0078	0.0311	0.0505
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0078	0.0311	0.0867
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0078	0.0311	0.0675
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0311	0.0867
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0046	0.0102	0.0534
Brugia malayi	Carboxylesterase family protein	0.0368	0.2184	1
Echinococcus multilocularis	GPCR, family 2	0.0078	0.0311	0.0311
Schistosoma mansoni	hypothetical protein	0.0986	0.6167	1
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0154	0.0799	0.4198
Schistosoma mansoni	hypothetical protein	0.0078	0.0311	0.0505
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0325	0.1902	1
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0325	0.1902	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0139	0.0705	0.1144
Schistosoma mansoni	hypothetical protein	0.0078	0.0311	0.0505
Schistosoma mansoni	hypothetical protein	0.0078	0.0311	0.0505
Leishmania major	mitochondrial DNA polymerase beta	0.0325	0.1902	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0139	0.0705	0.0705
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0139	0.0705	0.1144
Echinococcus multilocularis	tumor protein p63	0.0346	0.2038	0.2038
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0139	0.0705	0.1528
Loa Loa (eye worm)	carboxylesterase	0.0062	0.0209	0.0366
Plasmodium falciparum	ataxin-2 like protein, putative	0.0077	0.0306	0.5
Echinococcus multilocularis	neuroligin	0.0062	0.0209	0.0209
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0209	0.0366
Brugia malayi	Hint module family protein	0.0202	0.1113	0.4824
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0209	0.0366
Echinococcus granulosus	neuroligin	0.0062	0.0209	0.0452
Toxoplasma gondii	hypothetical protein	0.0052	0.0145	0.1586
Mycobacterium ulcerans	hypothetical protein	0.0171	0.0911	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0078	0.0311	0.095
Toxoplasma gondii	LsmAD domain-containing protein	0.0077	0.0306	1
Schistosoma mansoni	cellular tumor antigen P53	0.0051	0.0134	0.0217
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0035	0.0031	0.0067
Brugia malayi	DNA polymerase I family protein	0.0106	0.0491	0.1821
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0209	0.0366
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0368	0.2184	0.3541
Schistosoma mansoni	gliotactin	0.0062	0.0209	0.0338
Loa Loa (eye worm)	hypothetical protein	0.0202	0.1113	0.4776
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0328	0.095
Plasmodium falciparum	ataxin-2 like protein, putative	0.0077	0.0306	0.5
Brugia malayi	Latrophilin receptor protein 2	0.0078	0.0311	0.095
Schistosoma mansoni	hypothetical protein	0.0035	0.0031	0.005
Trypanosoma cruzi	PAB1-binding protein , putative	0.0077	0.0306	0.1608
Echinococcus granulosus	BC026374 protein S09 family	0.0062	0.0209	0.0452
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0062	0.0209	0.0209
Brugia malayi	latrophilin 2 splice variant baaae	0.0169	0.0896	0.3778
Schistosoma mansoni	acetylcholinesterase	0.0062	0.0209	0.0338
Plasmodium vivax	ataxin-2 like protein, putative	0.0077	0.0306	1
Onchocerca volvulus		0.0062	0.0209	0.3853
Trypanosoma cruzi	PAB1-binding protein , putative	0.0077	0.0306	0.1608
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0154	0.0799	0.1295
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0171	0.0911	1
Brugia malayi	Carboxylesterase family protein	0.0062	0.0209	0.0454
Trichomonas vaginalis	spcc417.12 protein, putative	0.0062	0.0209	1
Loa Loa (eye worm)	hypothetical protein	0.0106	0.0491	0.1745
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0306	0.084
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0139	0.0705	0.0705
Echinococcus granulosus	acetylcholinesterase	0.0368	0.2184	0.4732
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0062	0.0209	1
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0062	0.0209	0.0452
Echinococcus multilocularis	carboxylesterase 5A	0.0368	0.2184	0.2184
Schistosoma mansoni	DNA polymerase gamma	0.0106	0.0491	0.0797
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0046	0.0102	0.0165
Loa Loa (eye worm)	hypothetical protein	0.0368	0.2184	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0139	0.0705	0.1528
Onchocerca volvulus		0.0062	0.0209	0.3853
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0062	0.0209	0.0338
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0209	0.0366
Brugia malayi	hypothetical protein	0.005	0.0129	0.0069
Loa Loa (eye worm)	carboxylesterase	0.0062	0.0209	0.0366
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0154	0.0799	0.4198
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0209	0.0366
Echinococcus multilocularis	hypothetical protein	0.0106	0.0491	0.0491
Loa Loa (eye worm)	hypothetical protein	0.0247	0.1401	0.618
Leishmania major	hypothetical protein, conserved	0.0077	0.0306	0.1608
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0209	0.0366
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0035	0.0031	0.0031
Echinococcus multilocularis	acetylcholinesterase	0.0368	0.2184	0.2184
Schistosoma mansoni	BC026374 protein (S09 family)	0.0062	0.0209	0.0338
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0056	0.0166	0.0873
Brugia malayi	hypothetical protein	0.0077	0.0306	0.0924
Onchocerca volvulus	DNA polymerase alpha catalytic subunit homolog	0.0081	0.0328	1
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0209	0.0366
Brugia malayi	hypothetical protein	0.0062	0.0209	0.0454
Onchocerca volvulus		0.0062	0.0209	0.3853
Loa Loa (eye worm)	carboxylesterase	0.0368	0.2184	1
Echinococcus multilocularis	para nitrobenzyl esterase	0.0062	0.0209	0.0209
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0078	0.0311	0.0311
Brugia malayi	Hint module family protein	0.0202	0.1113	0.4824
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0062	0.0209	0.0338
Brugia malayi	Carboxylesterase family protein	0.0062	0.0209	0.0454
Echinococcus granulosus	carboxylesterase 5A	0.0368	0.2184	0.4732
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0247	0.1401	0.6215
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0046	0.0102	0.0534
Echinococcus granulosus	para nitrobenzyl esterase	0.0062	0.0209	0.0452

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (binding)		Inhibition of ACAT in human monocyte derived macrophages assessed as reduction in foam cell formation by measuring acetyl LDL-induced cholesterol ester accumulation at 30 uM after 24 hrs in presence of cholesteryl-[3H]oleate	ChEMBL.	27086123

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: CHEMBL3806307

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 2203329