TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 322.401 | Formula: C20H22N2O2
H donors: 0 H acceptors: 1 LogP: 4.21 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(CCN(c2ccnc3c2cccc3)C)ccc1OC
InChi: 1S/C20H22N2O2/c1-22(18-10-12-21-17-7-5-4-6-16(17)18)13-11-15-8-9-19(23-2)20(14-15)24-3/h4-10,12,14H,11,13H2,1-3H3
InChiKey: IZEZOESXPKMLDS-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
Loa Loa (eye worm)	hypothetical protein	0.0107	0.0309	0.0309
Brugia malayi	brahma associated protein 60 kDa	0.0346	0.2767	0.2767
Schistosoma mansoni	hypothetical protein	0.0346	0.2767	0.2536
Toxoplasma gondii	SWIB/MDM2 domain-containing protein	0.0346	0.2767	1
Echinococcus granulosus	ring and YY1 binding protein	0.0123	0.0476	0.0172
Trypanosoma brucei	Aph-1 protein, putative	0.041	0.3415	1
Brugia malayi	SWIB/MDM2 domain containing protein	0.0346	0.2767	0.2767
Schistosoma mansoni	subfamily A22A unassigned peptidase (A22 family)	0.022	0.1464	0.1192
Plasmodium vivax	hypothetical protein, conserved	0.0346	0.2767	0.5
Echinococcus multilocularis	Nuclear pore complex protein Nup153	0.0123	0.0476	0.0172
Loa Loa (eye worm)	hypothetical protein	0.0123	0.0476	0.0476
Echinococcus multilocularis	Zinc finger, RanBP2 type	0.0123	0.0476	0.0172
Loa Loa (eye worm)	hypothetical protein	0.0123	0.0476	0.0476
Schistosoma mansoni	brg-1 associated factor	0.0346	0.2767	0.2536
Brugia malayi	gamma-secretase subunit pen-2	0.0206	0.1325	0.1325
Brugia malayi	hypothetical protein	0.0107	0.0309	0.0309
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0123	0.0476	0.0476
Toxoplasma gondii	ran binding protein	0.0123	0.0476	0.172
Trichomonas vaginalis	conserved hypothetical protein	0.0346	0.2767	1
Loa Loa (eye worm)	gamma-secretase subunit aph-1	0.1051	1	1
Echinococcus multilocularis	gamma secretase subunit aph 1	0.1051	1	1
Loa Loa (eye worm)	hypothetical protein	0.0123	0.0476	0.0476
Trypanosoma cruzi	presenilin-like aspartic peptidase, putative	0.022	0.1464	0.3362
Schistosoma mansoni	hypothetical protein	0.0346	0.2767	0.2536
Loa Loa (eye worm)	hypothetical protein	0.0123	0.0476	0.0476
Schistosoma mansoni	fusion	0.0123	0.0476	0.0172
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0123	0.0476	0.0476
Toxoplasma gondii	Zn-finger in Ran binding protein and others domain-containing protein	0.0123	0.0476	0.172
Echinococcus granulosus	SWI:SNF matrix associated	0.0346	0.2767	0.2536
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0123	0.0476	0.0476
Brugia malayi	brahma associated protein 60 kDa	0.0346	0.2767	0.2767
Trypanosoma cruzi	presenilin-like aspartic peptidase, putative	0.022	0.1464	0.3362
Schistosoma mansoni	TRABID protein (C64 family)	0.0123	0.0476	0.0172
Trichomonas vaginalis	Clan AD, family A22, presenilin-like aspartic peptidase	0.022	0.1464	0.4699
Toxoplasma gondii	DNA topoisomerase domain-containing protein	0.0346	0.2767	1
Chlamydia trachomatis	SWIB complex protein	0.0346	0.2767	0.5
Trypanosoma cruzi	Aph-1 protein, putative	0.041	0.3415	1
Echinococcus granulosus	zinc finger protein Ran binding	0.0123	0.0476	0.0172
Chlamydia trachomatis	DNA topoisomerase I	0.0346	0.2767	0.5
Loa Loa (eye worm)	hypothetical protein	0.0123	0.0476	0.0476
Echinococcus multilocularis	SWI:SNF matrix associated	0.0346	0.2767	0.2536
Schistosoma mansoni	gamma-secretase subunit aph-1	0.1051	1	1
Schistosoma mansoni	hypothetical protein	0.0346	0.2767	0.2536
Schistosoma mansoni	RNA binding protein	0.0123	0.0476	0.0172
Schistosoma mansoni	zinc finger protein	0.0123	0.0476	0.0172
Brugia malayi	hypothetical protein	0.0107	0.0309	0.0309
Echinococcus multilocularis	presenilin enhancer 2	0.0206	0.1325	0.1049
Trichomonas vaginalis	Clan AD, family A22, presenilin-like aspartic peptidase	0.022	0.1464	0.4699
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0346	0.2767	1
Loa Loa (eye worm)	gamma-secretase subunit pen-2	0.0206	0.1325	0.1325
Echinococcus granulosus	Nuclear pore complex protein Nup153	0.0123	0.0476	0.0172
Entamoeba histolytica	presenilin 1 peptidase, putative	0.022	0.1464	0.5
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0123	0.0476	0.0476
Brugia malayi	Presenilin family protein	0.022	0.1464	0.1464
Echinococcus granulosus	presenilin	0.022	0.1464	0.1192
Trichomonas vaginalis	Clan AD, family A22, presenilin-like aspartic peptidase	0.022	0.1464	0.4699
Brugia malayi	YY1-associated factor 2	0.0123	0.0476	0.0476
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0346	0.2767	1
Echinococcus multilocularis	zinc finger protein Ran binding	0.0123	0.0476	0.0172
Echinococcus multilocularis	Upstream activation factor subunit UAF30	0.0346	0.2767	0.2536
Echinococcus multilocularis	SWI:SNF matrix associated	0.0346	0.2767	0.2536
Trypanosoma cruzi	Aph-1 protein, putative	0.041	0.3415	1
Echinococcus granulosus	Upstream activation factor subunit UAF30	0.0346	0.2767	0.2536
Echinococcus granulosus	presenilin enhancer 2	0.0206	0.1325	0.1049
Plasmodium vivax	SWIB/MDM2 domain-containing protein, putative	0.0346	0.2767	0.5
Schistosoma mansoni	hypothetical protein	0.0123	0.0476	0.0172
Echinococcus multilocularis	ring and YY1 binding protein	0.0123	0.0476	0.0172
Leishmania major	presenilin-like aspartic peptidase, putative,presenilin-like aspartic peptidase, clan AD, family A22A, putative	0.022	0.1464	1
Echinococcus multilocularis	SWI:SNF matrix associated	0.0346	0.2767	0.2536
Onchocerca volvulus		0.0346	0.2767	1
Loa Loa (eye worm)	brahma associated protein	0.0346	0.2767	0.2767
Echinococcus granulosus	gamma secretase subunit aph 1	0.1051	1	1
Echinococcus multilocularis	presenilin	0.022	0.1464	0.1192
Echinococcus granulosus	Zinc finger RanBP2 type	0.0123	0.0476	0.0172
Loa Loa (eye worm)	SWIB/MDM2 domain-containing protein	0.0346	0.2767	0.2767
Trypanosoma brucei	presenilin-like aspartic peptidase, putative	0.022	0.1464	0.3362

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: CHEMBL3185763

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1870740