TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 351.396 | Formula: C21H21NO4
H donors: 0 H acceptors: 1 LogP: 3.14 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc2c(cc1OC)CCN1C2(C)OC(=CC1=O)c1ccccc1
InChi: 1S/C21H21NO4/c1-21-16-12-19(25-3)18(24-2)11-15(16)9-10-22(21)20(23)13-17(26-21)14-7-5-4-6-8-14/h4-8,11-13H,9-10H2,1-3H3
InChiKey: YKFHSZYUUXCZCQ-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
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.194	0.4336	0.4336
Echinococcus multilocularis	Jumonji, AT rich interactive domain 1B	0.0575	0.1098	0.1789
Trichomonas vaginalis	conserved hypothetical protein	0.0127	0.0034	0.5
Schistosoma mansoni	lar interacting protein (lip)-related protein	0.0127	0.0034	0.0034
Echinococcus granulosus	polycomb protein SCMH1	0.134	0.2911	0.4841
Schistosoma mansoni	sodium/chloride dependent transporter	0.0237	0.0296	0.0296
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0237	0.0296	0.0568
Schistosoma mansoni	hypothetical protein	0.0127	0.0034	0.0034
Brugia malayi	AIDA-1b	0.0127	0.0034	0.0066
Trypanosoma brucei	Present in the outer mitochondrial membrane proteome 24	0.0127	0.0034	0.5
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0483	0.0879	0.1421
Loa Loa (eye worm)	hypothetical protein	0.0237	0.0296	0.0568
Brugia malayi	Shank2E	0.0127	0.0034	0.0066
Toxoplasma gondii	PLU-1 family protein	0.0221	0.0258	1
Echinococcus multilocularis	lysine specific demethylase 5A	0.0391	0.066	0.1053
Echinococcus multilocularis	chromobox protein 2	0.0993	0.209	0.3459
Onchocerca volvulus	Tankyrase homolog	0.0127	0.0034	0.0066
Trypanosoma cruzi	Kinesin-13 5, putative	0.0127	0.0034	0.5
Brugia malayi	hypothetical protein	0.0127	0.0034	0.0066
Loa Loa (eye worm)	hypothetical protein	0.0237	0.0296	0.0568
Schistosoma mansoni	hypothetical protein	0.165	0.3647	0.3647
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0511	0.0945	0.1532
Loa Loa (eye worm)	hypothetical protein	0.0127	0.0034	0.0066
Loa Loa (eye worm)	hypothetical protein	0.0127	0.0034	0.0066
Echinococcus multilocularis	polycomb protein SCMH1	0.134	0.2911	0.4841
Onchocerca volvulus		0.0127	0.0034	0.0066
Onchocerca volvulus		0.0127	0.0034	0.0066
Loa Loa (eye worm)	serotonin transporter b	0.0237	0.0296	0.0568
Brugia malayi	mbt repeat family protein	0.2305	0.5201	1
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0483	0.0879	0.169
Loa Loa (eye worm)	toll and interleukin 1 receptor domain-containing protein isoform f	0.0127	0.0034	0.0066
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0469	0.0846	0.0846
Schistosoma mansoni	chromodomain helicase DNA binding protein	0.0136	0.0056	0.0056
Trichomonas vaginalis	c2h2 zinc finger protein, putative	0.0127	0.0034	0.5
Onchocerca volvulus		0.0127	0.0034	0.0066
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0483	0.0879	0.1421
Brugia malayi	cask-interacting protein 2	0.0127	0.0034	0.0066
Plasmodium vivax	JmjC domain containing protein	0.0147	0.0081	1
Brugia malayi	Sphingomyelin synthase-related 1	0.0127	0.0034	0.0066
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0237	0.0296	0.0568
Schistosoma mansoni	polyhomeotic	0.0127	0.0034	0.0034
Loa Loa (eye worm)	hypothetical protein	0.0483	0.0879	0.169
Trypanosoma cruzi	Kinesin-13 5, putative	0.0127	0.0034	0.5
Loa Loa (eye worm)	jmjC domain-containing protein	0.0691	0.1371	0.2637
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.2305	0.5201	1
Echinococcus multilocularis	chromodomain helicase DNA binding protein 4	0.0136	0.0056	0.0036
Loa Loa (eye worm)	hypothetical protein	0.2305	0.5201	1
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.2632	0.5977	1
Echinococcus granulosus	SAM and MBT domain containing protein	0.194	0.4336	0.7238
Schistosoma mansoni	phd finger protein	0.0205	0.022	0.022
Brugia malayi	hypothetical protein	0.0127	0.0034	0.0066
Trichomonas vaginalis	cgi-62, putative	0.0127	0.0034	0.5
Schistosoma mansoni	sex comb on midleg homolog	0.134	0.2911	0.2911
Echinococcus multilocularis	tumor suppressor p53 binding protein 1	0.165	0.3647	0.6079
Loa Loa (eye worm)	hypothetical protein	0.0237	0.0296	0.0568
Schistosoma mansoni	spingomyelin synthetase-related	0.0127	0.0034	0.0034
Echinococcus granulosus	histone acetyltransferase MYST2	0.0483	0.0879	0.1421
Brugia malayi	sterile alpha and TIR motif containing protein 1 isoform a	0.0127	0.0034	0.0066
Schistosoma mansoni	sex comb on midleg homolog	0.134	0.2911	0.2911
Loa Loa (eye worm)	MBCTL1	0.0483	0.0879	0.169
Loa Loa (eye worm)	tnks protein	0.0127	0.0034	0.0066
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0128	0.0037	0.0004
Loa Loa (eye worm)	AIDA-1b	0.0127	0.0034	0.0066
Loa Loa (eye worm)	hypothetical protein	0.0127	0.0034	0.0066
Echinococcus granulosus	Jumonji AT rich interactive domain 1B	0.0575	0.1098	0.1789
Loa Loa (eye worm)	hypothetical protein	0.0127	0.0034	0.0066
Brugia malayi	mbt repeat family protein	0.1394	0.304	0.5846
Onchocerca volvulus		0.1521	0.3342	0.6425
Schistosoma mansoni	hypothetical protein	0.0127	0.0034	0.0034
Trypanosoma cruzi	hypothetical protein	0.0127	0.0034	0.5
Onchocerca volvulus		0.0127	0.0034	0.0066
Schistosoma mansoni	lip-related protein (liprin) alpha	0.0127	0.0034	0.0034
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0483	0.0879	0.0879
Plasmodium falciparum	JmjC domain-containing protein, putative	0.0147	0.0081	0.5
Giardia lamblia	Giardia trophozoite antigen GTA-1	0.0127	0.0034	0.5
Loa Loa (eye worm)	hypothetical protein	0.0127	0.0034	0.0066
Onchocerca volvulus		0.0127	0.0034	0.0066
Loa Loa (eye worm)	hypothetical protein	0.0127	0.0034	0.0066
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0483	0.0879	0.1421
Onchocerca volvulus		0.0237	0.0296	0.0568
Brugia malayi	Liprin-alpha 2	0.0127	0.0034	0.0066
Brugia malayi	bicaudal-C	0.0127	0.0034	0.0066
Echinococcus granulosus	histone acetyltransferase myst3	0.0205	0.022	0.0312
Giardia lamblia	Kinesin-13	0.0127	0.0034	0.5
Echinococcus granulosus	chromodomain helicase DNA binding protein 4	0.0136	0.0056	0.0036
Schistosoma mansoni	Protein aveugle	0.0127	0.0034	0.0034
Schistosoma mansoni	chromobox protein	0.0993	0.209	0.209
Treponema pallidum	sodium- and chloride- dependent transporter	0.0237	0.0296	0.5
Loa Loa (eye worm)	hypothetical protein	0.0127	0.0034	0.0066
Echinococcus granulosus	tumor suppressor p53 binding protein 1	0.165	0.3647	0.6079
Brugia malayi	jmjC domain containing protein	0.0691	0.1371	0.2637
Echinococcus granulosus	serotonin transporter	0.0237	0.0296	0.044
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0128	0.0037	0.0004
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.2632	0.5977	1
Loa Loa (eye worm)	hypothetical protein	0.0127	0.0034	0.0066
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0469	0.0846	0.0846
Toxoplasma gondii	histone lysine demethylase JMJC1/KDM5D/JARID1D	0.0163	0.012	0.3694
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0858	0.1769	0.2919
Echinococcus granulosus	chromobox protein 2	0.0993	0.209	0.3459
Echinococcus multilocularis	serotonin transporter	0.0237	0.0296	0.044
Brugia malayi	coiled-coil like protein 1	0.0127	0.0034	0.0066
Echinococcus granulosus	tm gpcr rhodopsin	0.0511	0.0945	0.1532
Schistosoma mansoni	jumonji domain containing protein	0.0128	0.0037	0.0037
Onchocerca volvulus		0.0127	0.0034	0.0066
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0237	0.0296	0.0296
Echinococcus granulosus	lysine specific demethylase 5A	0.0469	0.0846	0.1365
Trypanosoma brucei	SAM domain (Sterile alpha motif), putative	0.0127	0.0034	0.5
Echinococcus multilocularis	SAM and MBT domain containing protein	0.194	0.4336	0.7238
Schistosoma mansoni	Protein aveugle	0.0127	0.0034	0.0034
Brugia malayi	jmjC domain containing protein	0.0128	0.0037	0.0071
Loa Loa (eye worm)	mbt repeat family protein	0.1394	0.304	0.5846
Loa Loa (eye worm)	norepinephrine transporter	0.0237	0.0296	0.0568
Schistosoma mansoni	DNAj-like protein	0.0127	0.0034	0.0034
Echinococcus multilocularis	histone acetyltransferase myst3	0.0205	0.022	0.0312
Brugia malayi	CHD4 protein	0.0136	0.0056	0.0108
Loa Loa (eye worm)	CHromoDomain protein family member	0.0136	0.0056	0.0108

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

ChEMBL: CHEMBL2435949

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 1788531