TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 471.634 | Formula: C30H37N3O2
H donors: 0 H acceptors: 2 LogP: 5.65 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: COc1cccc(c1)CC(N(C(=O)c1ccccn1)C)C1CCN(CC1)Cc1ccc(c(c1)C)C
InChi: 1S/C30H37N3O2/c1-22-11-12-25(18-23(22)2)21-33-16-13-26(14-17-33)29(20-24-8-7-9-27(19-24)35-4)32(3)30(34)28-10-5-6-15-31-28/h5-12,15,18-19,26,29H,13-14,16-17,20-21H2,1-4H3
InChiKey: OQQCTMIEVWJCPC-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	maltase-glucoamylase, putative	0.0045	0.1069	0.1177
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0313	1	1
Schistosoma mansoni	unc-13 (munc13)	0.0015	0.0072	0.0072
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0045	0.1069	1
Schistosoma mansoni	bile acid beta-glucosidase-related	0.0204	0.6366	0.6366
Echinococcus granulosus	lysosomal alpha glucosidase	0.0313	1	1
Echinococcus granulosus	RNA directed DNA polymerase	0.008	0.2239	0.2239
Echinococcus granulosus	NDR protein kinase	0.0017	0.0156	0.0156
Schistosoma mansoni	serine/threonine protein kinase	0.0112	0.3308	0.3308
Schistosoma mansoni	alpha-glucosidase	0.0313	1	1
Echinococcus granulosus	protein kinase c iota type	0.003	0.0564	0.0564
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0045	0.1069	0.1177
Trichomonas vaginalis	AGC family protein kinase	0.0017	0.0156	0.0016
Trichomonas vaginalis	alpha-glucosidase, putative	0.0045	0.1069	0.1177
Schistosoma mansoni	serine/threonine protein kinase	0.0017	0.0156	0.0156
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0017	0.0156	0.0156
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.0017	0.0156	0.0156
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0017	0.0156	0.0156
Trichomonas vaginalis	alpha-glucosidase, putative	0.0045	0.1069	0.1177
Echinococcus granulosus	serine:threonine protein kinase N2	0.0017	0.0156	0.0156
Echinococcus granulosus	C2 calcium dependent membrane targeting	0.0015	0.0072	0.0072
Schistosoma mansoni	serine/threonine protein kinase	0.0017	0.0156	0.0156
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0017	0.0156	0.0156
Trichomonas vaginalis	AGC family protein kinase	0.0017	0.0156	0.0016
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0045	0.1069	0.1069
Loa Loa (eye worm)	AGC/NDR protein kinase	0.0017	0.0156	0.0156
Schistosoma mansoni	serine/threonine protein kinase	0.0017	0.0156	0.0156
Echinococcus multilocularis	C2 calcium dependent membrane targeting	0.0015	0.0072	0.0072
Trichomonas vaginalis	alpha-glucosidase, putative	0.0045	0.1069	0.1177
Trichomonas vaginalis	glucosylceramidase, putative	0.0166	0.5104	0.6314
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0032	0.0649	0.0649
Trichomonas vaginalis	alpha-glucosidase, putative	0.0045	0.1069	0.1177
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0045	0.1069	0.1177
Onchocerca volvulus	Ceramide glucosyltransferase homolog	0.0233	0.7357	0.7338
Echinococcus multilocularis	serine threonine protein kinase	0.01	0.2901	0.2901
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0045	0.1069	0.1177
Schistosoma mansoni	alpha glucosidase	0.0045	0.1069	0.1069
Echinococcus granulosus	ceramide glucosyltransferase	0.0233	0.7357	0.7357
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0072	0.0072
Echinococcus granulosus	non lysosomal glucosylceramidase	0.0204	0.6366	0.6366
Echinococcus granulosus	bile acid beta glucosidase	0.0204	0.6366	0.6366
Brugia malayi	Protein kinase domain containing protein	0.0017	0.0156	0.0156
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0112	0.3308	0.3308
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.0017	0.0156	0.0156
Trichomonas vaginalis	alpha-glucosidase, putative	0.0045	0.1069	0.1177
Loa Loa (eye worm)	hypothetical protein	0.0045	0.1069	0.1069
Giardia lamblia	Ceramide glucosyltransferase	0.0106	0.3105	0.5
Brugia malayi	p70 ribosomal S6 kinase beta	0.0017	0.0156	0.0156
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0253	0.7999	0.7999
Brugia malayi	Ceramide glucosyltransferase	0.0233	0.7357	0.7357
Trichomonas vaginalis	glucosylceramidase, putative	0.0253	0.7999	1
Echinococcus granulosus	protein kinase c epsilon type	0.0032	0.0649	0.0649
Trichomonas vaginalis	AGC family protein kinase	0.0017	0.0156	0.0016
Trichomonas vaginalis	alpha-glucosidase, putative	0.0045	0.1069	0.1177
Echinococcus multilocularis	serine:threonine protein kinase 38	0.0017	0.0156	0.0156
Trichomonas vaginalis	glucosylceramidase, putative	0.0166	0.5104	0.6314
Trichomonas vaginalis	glucosylceramidase, putative	0.0253	0.7999	1
Trichomonas vaginalis	AGC family protein kinase	0.0017	0.0156	0.0016
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0045	0.1069	0.1177
Echinococcus multilocularis	bile acid beta glucosidase	0.0204	0.6366	0.6366
Schistosoma mansoni	ceramide glucosyltransferase	0.0233	0.7357	0.7357
Trichomonas vaginalis	AGC family protein kinase	0.0017	0.0156	0.0016
Loa Loa (eye worm)	hypothetical protein	0.0092	0.2647	0.2647
Trichomonas vaginalis	AGC family protein kinase	0.0017	0.0156	0.0016
Trichomonas vaginalis	glucosylceramidase, putative	0.0253	0.7999	1
Trichomonas vaginalis	AGC family protein kinase	0.0017	0.0156	0.0016
Schistosoma mansoni	serine/threonine protein kinase	0.0032	0.0649	0.0649
Brugia malayi	Hr1 repeat family protein	0.0017	0.0156	0.0156
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0017	0.0156	0.0156
Trypanosoma cruzi	hypothetical protein, conserved	0.0045	0.1069	0.5
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0045	0.1069	1
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.0017	0.0156	0.0156
Brugia malayi	Protein kinase domain containing protein	0.0017	0.0156	0.0156
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.0017	0.0156	0.0156
Schistosoma mansoni	serine/threonine kinase	0.0017	0.0156	0.0156
Echinococcus multilocularis	telomerase reverse transcriptase subunit	0.008	0.2239	0.2239
Schistosoma mansoni	alpha-glucosidase	0.0313	1	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0166	0.5104	0.6314
Trypanosoma brucei	glucosidase, putative	0.0045	0.1069	1
Echinococcus multilocularis	protein kinase c epsilon type	0.0032	0.0649	0.0649
Brugia malayi	Protein kinase domain containing protein	0.0017	0.0156	0.0156
Trichomonas vaginalis	glucosylceramidase, putative	0.0175	0.5402	0.6693
Trypanosoma cruzi	hypothetical protein, conserved	0.0045	0.1069	0.5
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.0017	0.0156	0.0156
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0045	0.1069	0.1069
Loa Loa (eye worm)	ceramide glucosyltransferase	0.0233	0.7357	0.7357
Trichomonas vaginalis	alpha-glucosidase, putative	0.0045	0.1069	0.1177
Trypanosoma cruzi	glycosyl hydrolase-like protein, putative	0.0045	0.1069	0.5
Echinococcus multilocularis	RNA directed DNA polymerase	0.008	0.2239	0.2239
Echinococcus granulosus	Protein kinase C brain isozyme	0.0112	0.3308	0.3308
Schistosoma mansoni	serine/threonine protein kinase	0.0017	0.0156	0.0156
Trichomonas vaginalis	glucosylceramidase, putative	0.0253	0.7999	1
Trichomonas vaginalis	alpha-glucosidase, putative	0.0045	0.1069	0.1177
Onchocerca volvulus	Uncharacterized family 31 glucosidase KIAA1161 homolog	0.0045	0.1069	0.1004
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0045	0.1069	0.1069
Schistosoma mansoni	atypical protein kinase C	0.003	0.0564	0.0564
Trypanosoma cruzi	glycosyl hydrolase-like protein, putative	0.0045	0.1069	0.5
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0253	0.7999	0.7999
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.0017	0.0156	0.0156
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0156	0.0156
Loa Loa (eye worm)	AGC/PKC/ALPHA protein kinase	0.0083	0.2337	0.2337
Leishmania major	alpha glucosidase II subunit, putative	0.0045	0.1069	0.5
Trichomonas vaginalis	glucosylceramidase, putative	0.0175	0.5402	0.6693
Echinococcus granulosus	neutral alpha glucosidase AB	0.0045	0.1069	0.1069
Trichomonas vaginalis	AGC family protein kinase	0.0017	0.0156	0.0016
Trichomonas vaginalis	glucosylceramidase, putative	0.0166	0.5104	0.6314
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0045	0.1069	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0166	0.5104	0.6314
Echinococcus granulosus	protein kinase C gamma type	0.01	0.2901	0.2901
Schistosoma mansoni	protein kinase C	0.0015	0.0072	0.0072
Trichomonas vaginalis	glucosylceramidase, putative	0.0253	0.7999	1
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.0017	0.0156	0.0156
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0045	0.1069	0.1177
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0313	1	1
Schistosoma mansoni	unc-13 (munc13)	0.0015	0.0072	0.0072
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0045	0.1069	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0166	0.5104	0.6314
Onchocerca volvulus		0.0313	1	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0166	0.5104	0.6314
Brugia malayi	protein kinase C II.	0.0032	0.0649	0.0649
Echinococcus multilocularis	non lysosomal glucosylceramidase	0.0204	0.6366	0.6366
Trichomonas vaginalis	AGC family protein kinase	0.0017	0.0156	0.0016
Trypanosoma brucei	glycosyl hydrolase-like protein	0.0045	0.1069	1
Echinococcus granulosus	unc 13 munc13	0.0015	0.0072	0.0072
Loa Loa (eye worm)	hypothetical protein	0.0137	0.416	0.416
Loa Loa (eye worm)	AGC/PKN protein kinase	0.0017	0.0156	0.0156
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0045	0.1069	0.1069
Trichomonas vaginalis	alpha-glucosidase, putative	0.0045	0.1069	0.1177
Trichomonas vaginalis	alpha-glucosidase, putative	0.0045	0.1069	0.1177
Echinococcus multilocularis	ceramide glucosyltransferase	0.0233	0.7357	0.7357
Schistosoma mansoni	bile acid beta-glucosidase-related	0.0204	0.6366	0.6366
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0045	0.1069	0.1177
Trichomonas vaginalis	AGC family protein kinase	0.0017	0.0156	0.0016
Leishmania major	glycosyl hydrolase-like protein	0.0045	0.1069	0.5
Trichomonas vaginalis	AGC family protein kinase	0.0017	0.0156	0.0016
Onchocerca volvulus	Glucosylceramidase homolog	0.0166	0.5104	0.5069
Trichomonas vaginalis	glucosylceramidase, putative	0.0253	0.7999	1
Schistosoma mansoni	ceramide glucosyltransferase	0.0233	0.7357	0.7357
Loa Loa (eye worm)	hypothetical protein	0.008	0.2239	0.2239
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0313	1	1
Schistosoma mansoni	serine/threonine protein kinase	0.0112	0.3308	0.3308
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.0017	0.0156	0.0156
Echinococcus multilocularis	unc 13 (munc13)	0.0015	0.0072	0.0072
Brugia malayi	Protein kinase c protein 2	0.0095	0.2744	0.2744
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.0017	0.0156	0.0156
Echinococcus multilocularis	protein kinase c iota type	0.003	0.0564	0.0564

Activities

No activities found for this compound.

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 895188