TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 357.443 | Formula: C21H27NO4
H donors: 0 H acceptors: 0 LogP: 3.84 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(cc2c1OCCN(C2)C(C)C)c1ccc(c(c1)OC)OC
InChi: 1S/C21H27NO4/c1-14(2)22-8-9-26-21-17(13-22)10-16(12-20(21)25-5)15-6-7-18(23-3)19(11-15)24-4/h6-7,10-12,14H,8-9,13H2,1-5H3
InChiKey: UWIJNTICAXRIHE-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

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
Echinococcus granulosus	neuropeptide FF receptor 2	0.0234	0.101	0.101
Loa Loa (eye worm)	proprotein convertase 2	0.0572	0.2987	0.2987
Trichomonas vaginalis	conserved hypothetical protein	0.0408	0.2028	0.3881
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.009	0.0164	0.0229
Schistosoma mansoni	subfamily S8B unassigned peptidase (S08 family)	0.0164	0.0595	0.0595
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0164	0.0595	0.1073
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0572	0.2987	0.5761
Trypanosoma cruzi	Aph-1 protein, putative	0.0093	0.0182	1
Trichomonas vaginalis	conserved hypothetical protein	0.009	0.0164	0.0229
Echinococcus multilocularis	gamma secretase subunit aph 1	0.0239	0.1038	0.1325
Brugia malayi	gamma-secretase subunit aph-1	0.0239	0.1038	0.1038
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0076	0.0083	0.0083
Toxoplasma gondii	subtilisin SUB9	0.009	0.0164	0.5
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0572	0.2987	0.5761
Plasmodium falciparum	subtilisin-like protease 2	0.009	0.0164	0.5
Echinococcus granulosus	enteropeptidase	0.0076	0.0083	0.0083
Loa Loa (eye worm)	hypothetical protein	0.007	0.0048	0.0048
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0433	0.0433
Echinococcus multilocularis	wd40 repeat	0.007	0.0048	0.0061
Leishmania major	subtilisin-like serine peptidase	0.009	0.0164	0.5
Echinococcus multilocularis	proprotein convertase subtilisin:kexin type 5	0.0941	0.515	0.6571
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.009	0.0164	0.0229
Toxoplasma gondii	subtilisin SUB5	0.009	0.0164	0.5
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0234	0.101	0.101
Toxoplasma gondii	subtilisin SUB2	0.009	0.0164	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0408	0.2028	0.3881
Schistosoma mansoni	tripeptidyl-peptidase II (S08 family)	0.009	0.0164	0.0164
Brugia malayi	Will die slowly protein	0.0134	0.0421	0.0421
Trichomonas vaginalis	conserved hypothetical protein	0.009	0.0164	0.0229
Toxoplasma gondii	subtilisin SUB8	0.009	0.0164	0.5
Schistosoma mansoni	subfamily S8B non-peptidase homologue (S08 family)	0.0572	0.2987	0.2987
Trichomonas vaginalis	conserved hypothetical protein	0.0408	0.2028	0.3881
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.009	0.0164	0.0229
Echinococcus multilocularis	n acetylated alpha linked acidic dipeptidase 2	0.0554	0.2882	0.3677
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.009	0.0164	0.0229
Trichomonas vaginalis	conserved hypothetical protein	0.0408	0.2028	0.3881
Brugia malayi	Hypothetical WD-repeat protein F21H12.1 in chromosome II	0.007	0.0048	0.0048
Loa Loa (eye worm)	hypothetical protein	0.009	0.0164	0.0164
Brugia malayi	celfurPC protein	0.136	0.7608	0.7608
Schistosoma mansoni	furin-1 (S08 family)	0.0918	0.5015	0.5015
Trichomonas vaginalis	WD repeat domain, putative	0.0134	0.0421	0.0732
Echinococcus granulosus	rho-associated protein kinase 1	0.0334	0.1592	0.1592
Trypanosoma cruzi	Aph-1 protein, putative	0.0093	0.0182	1
Trichomonas vaginalis	conserved hypothetical protein	0.009	0.0164	0.0229
Loa Loa (eye worm)	hypothetical protein	0.0356	0.1721	0.1721
Echinococcus granulosus	inhibitor of apoptosis protein	0.0136	0.0433	0.0433
Echinococcus multilocularis	Mastin	0.0076	0.0083	0.0105
Echinococcus multilocularis	Peptidase S8 S53, subtilisin kexin sedolisin	0.009	0.0164	0.021
Trichomonas vaginalis	neuroendocrine convertase 2 precursor, putative	0.0482	0.2459	0.4725
Trichomonas vaginalis	conserved hypothetical protein	0.009	0.0164	0.0229
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0572	0.2987	0.5761
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.009	0.0164	0.0229
Schistosoma mansoni	site-1 peptidase (S08 family)	0.009	0.0164	0.0164
Mycobacterium tuberculosis	Probable membrane-anchored mycosin MycP4 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-4)	0.009	0.0164	0.5
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.009	0.0164	0.0229
Loa Loa (eye worm)	TK/EGFR protein kinase	0.0314	0.1477	0.1477
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.009	0.0164	0.0229
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.009	0.0164	0.0229
Schistosoma mansoni	subfamily S8B unassigned peptidase (S08 family)	0.1769	1	1
Trichomonas vaginalis	hypothetical protein	0.0408	0.2028	0.3881
Echinococcus multilocularis		0.136	0.7608	0.9708
Echinococcus granulosus	membrane bound transcription factor site 1	0.009	0.0164	0.0164
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.009	0.0164	0.0229
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.009	0.0164	0.0229
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.009	0.0164	0.0229
Brugia malayi	Inhibitor of Apoptosis domain containing protein	0.0136	0.0433	0.0433
Echinococcus granulosus	neuroendocrine convertase 2	0.1399	0.7837	0.7837
Trichomonas vaginalis	conserved hypothetical protein	0.0408	0.2028	0.3881
Echinococcus granulosus	furin	0.1769	1	1
Loa Loa (eye worm)	WD40 repeat protein	0.0134	0.0421	0.0421
Echinococcus multilocularis	neuroendocrine convertase 2	0.1399	0.7837	1
Trichomonas vaginalis	conserved hypothetical protein	0.0408	0.2028	0.3881
Toxoplasma gondii	subtilisin SUB12	0.009	0.0164	0.5
Echinococcus granulosus	Furin 1	0.0572	0.2987	0.2987
Trichomonas vaginalis	conserved hypothetical protein	0.0408	0.2028	0.3881
Echinococcus granulosus	peptidase s8 s53 subtilisin kexin sedolisin	0.009	0.0164	0.0164
Toxoplasma gondii	subtilisin SUB7	0.009	0.0164	0.5
Echinococcus granulosus	epidermal growth factor receptor	0.0314	0.1477	0.1477
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0572	0.2987	0.5761
Brugia malayi	Subtilase family protein	0.009	0.0164	0.0164
Plasmodium falciparum	subtilisin-like protease 1	0.009	0.0164	0.5
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0572	0.2987	0.5761
Onchocerca volvulus		0.009	0.0164	0.1033
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0234	0.101	0.1288
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.009	0.0164	0.0229
Trichomonas vaginalis	conserved hypothetical protein	0.0073	0.0067	0.0037
Echinococcus multilocularis	Furin 1	0.0572	0.2987	0.3811
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.009	0.0164	0.0229
Loa Loa (eye worm)	hypothetical protein	0.0377	0.1842	0.1842
Trichomonas vaginalis	conserved hypothetical protein	0.0408	0.2028	0.3881
Echinococcus granulosus	proprotein convertase subtilisin:kexin type 5	0.0941	0.515	0.515
Schistosoma mansoni	site-1 peptidase (S08 family)	0.009	0.0164	0.0164
Brugia malayi	Furin-like cysteine rich region family protein	0.0314	0.1477	0.1477
Giardia lamblia	Furin precursor putative serine protease	0.0482	0.2459	1
Loa Loa (eye worm)	hypothetical protein	0.1769	1	1
Loa Loa (eye worm)	hypothetical protein	0.0517	0.2666	0.2666
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.009	0.0164	0.0229
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.009	0.0164	0.0229
Trypanosoma brucei	Aph-1 protein, putative	0.0093	0.0182	1
Onchocerca volvulus		0.0134	0.0421	0.2645
Brugia malayi	Membrane-bound transcription factor site-1 protease precursor	0.009	0.0164	0.0164
Schistosoma mansoni	retinoblastoma binding protein	0.007	0.0048	0.0048
Schistosoma mansoni	inhibitor of apoptosis protein	0.0136	0.0433	0.0433
Brugia malayi	neuroendocrine convertase 1 precursor	0.1682	0.9492	0.9492
Plasmodium falciparum	subtilisin-like protease 3	0.009	0.0164	0.5
Mycobacterium ulcerans	membrane-anchored serine protease (mycosin), MycP4	0.009	0.0164	0.5
Toxoplasma gondii	subtilisin SUB11	0.009	0.0164	0.5
Plasmodium vivax	subtilisin-like protease 2, putative	0.009	0.0164	0.5
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.009	0.0164	0.0229
Echinococcus multilocularis	enteropeptidase	0.0076	0.0083	0.0105
Echinococcus granulosus	glycoprotein Antigen 5	0.0076	0.0083	0.0083
Loa Loa (eye worm)	gamma-secretase subunit aph-1	0.0239	0.1038	0.1038
Loa Loa (eye worm)	hypothetical protein	0.0567	0.2961	0.2961
Plasmodium vivax	subtilisin-like serine protease, putative	0.009	0.0164	0.5
Echinococcus multilocularis	glycoprotein Antigen 5	0.0076	0.0083	0.0105
Echinococcus granulosus	protein will die slowly	0.0134	0.0421	0.0421
Mycobacterium ulcerans	proline rich membrane-anchored mycosin MycP5	0.009	0.0164	0.5
Toxoplasma gondii	subtilisin SUB6	0.009	0.0164	0.5
Schistosoma mansoni	hypothetical protein	0.0134	0.0421	0.0421
Onchocerca volvulus		0.0333	0.1588	0.9974
Toxoplasma gondii	subtilisin SUB4	0.009	0.0164	0.5
Trichomonas vaginalis	leucine-rich repeat protein, BspA family	0.0408	0.2028	0.3881
Trichomonas vaginalis	proprotein convertase subtilisin/kexin type, putative	0.0482	0.2459	0.4725
Loa Loa (eye worm)	AGC/DMPK/ROCK protein kinase	0.1037	0.5714	0.5714
Echinococcus granulosus	gamma secretase subunit aph 1	0.0239	0.1038	0.1038
Mycobacterium ulcerans	membrane-anchored mycosin MycP3	0.009	0.0164	0.5
Schistosoma mansoni	gamma-secretase subunit aph-1	0.0239	0.1038	0.1038
Echinococcus multilocularis	protein will die slowly	0.0134	0.0421	0.0537
Mycobacterium tuberculosis	Probable alanine and proline rich membrane-anchored mycosin MycP2 (serine protease) (subtilisin-like protease) (subtilase-like)	0.009	0.0164	0.5
Brugia malayi	Inhibitor of Apoptosis domain containing protein	0.0136	0.0433	0.0433
Brugia malayi	proprotein convertase 2	0.1399	0.7837	0.7837
Trichomonas vaginalis	conserved hypothetical protein	0.0408	0.2028	0.3881
Onchocerca volvulus	Deterin homolog	0.0136	0.0433	0.2722
Echinococcus granulosus	wd40 repeat	0.007	0.0048	0.0048
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0941	0.515	1
Onchocerca volvulus		0.0074	0.0067	0.0422
Toxoplasma gondii	subtilisin SUB10	0.009	0.0164	0.5
Echinococcus multilocularis	baculoviral IAP repeat containing protein	0.0136	0.0433	0.0553
Echinococcus multilocularis	rho associated protein kinase	0.0334	0.1592	0.2032
Mycobacterium tuberculosis	Probable membrane-anchored mycosin MycP3 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-3)	0.009	0.0164	0.5
Schistosoma mansoni	inhibitor of apoptosis (iap) domain family member	0.0136	0.0433	0.0433
Loa Loa (eye worm)	hypothetical protein	0.0234	0.101	0.101
Echinococcus granulosus	baculoviral IAP repeat containing protein	0.0136	0.0433	0.0433
Schistosoma mansoni	serine/threonine protein kinase	0.0334	0.1592	0.1592
Brugia malayi	Protein kinase domain containing protein	0.1037	0.5714	0.5714
Trichomonas vaginalis	conserved hypothetical protein	0.0408	0.2028	0.3881
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.009	0.0164	0.0229
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0433	0.0433
Loa Loa (eye worm)	endoprotease bli-4	0.1769	1	1
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0572	0.2987	0.5761
Plasmodium vivax	subtilisin-like protease 1	0.009	0.0164	0.5
Schistosoma mansoni	NAALADASE L peptidase (M28 family)	0.0363	0.1763	0.1763
Echinococcus multilocularis	membrane bound transcription factor site 1	0.009	0.0164	0.021
Schistosoma mansoni	hypothetical protein	0.0408	0.2028	0.2028
Schistosoma mansoni	hypothetical protein	0.0136	0.0433	0.0433
Echinococcus multilocularis	inhibitor of apoptosis protein	0.0136	0.0433	0.0553
Mycobacterium leprae	PROBABLE MEMBRANE-ANCHORED MYCOSIN MYCP3 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-3)	0.009	0.0164	0.5
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.009	0.0164	0.0229
Mycobacterium leprae	PROBABLE PROLINE RICH MEMBRANE-ANCHORED MYCOSIN MYCP5 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-5)	0.009	0.0164	0.5
Brugia malayi	Hypothetical subtilase-type proteinase F21H12.6 in chromosome II	0.009	0.0164	0.0164
Loa Loa (eye worm)	subtilase	0.009	0.0164	0.0164
Trichomonas vaginalis	conserved hypothetical protein	0.009	0.0164	0.0229
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.009	0.0164	0.0229
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.009	0.0164	0.0229
Schistosoma mansoni	tyrosine kinase	0.0314	0.1477	0.1477
Toxoplasma gondii	subtilisin SUB1	0.009	0.0164	0.5
Echinococcus granulosus	Mastin	0.0076	0.0083	0.0083
Onchocerca volvulus		0.0136	0.0433	0.2722
Echinococcus multilocularis	epidermal growth factor receptor	0.0314	0.1477	0.1885
Onchocerca volvulus		0.0334	0.1592	1
Mycobacterium leprae	Possible secreted protease	0.009	0.0164	0.5
Loa Loa (eye worm)	hypothetical protein	0.0901	0.4917	0.4917
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.009	0.0164	0.0229
Mycobacterium tuberculosis	Probable proline rich membrane-anchored mycosin MycP5 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-5)	0.009	0.0164	0.5
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.009	0.0164	0.0229
Trichomonas vaginalis	conserved hypothetical protein	0.0408	0.2028	0.3881
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.009	0.0164	0.0229
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0941	0.515	1

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

Search by Saint Jude

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 806528