TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 310.347 | Formula: C18H18N2O3
H donors: 1 H acceptors: 2 LogP: 1.84 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1ccc(cc1)NC(=O)c1ccccc1)N1CCOCC1
InChi: 1S/C18H18N2O3/c21-17(14-4-2-1-3-5-14)19-16-8-6-15(7-9-16)18(22)20-10-12-23-13-11-20/h1-9H,10-13H2,(H,19,21)
InChiKey: NCBWAGJBOIZEEJ-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
Echinococcus multilocularis	tar DNA binding protein	0.0189	0.3374	0.3346
Loa Loa (eye worm)	hypothetical protein	0.0061	0.086	0.1707
Echinococcus multilocularis	sarco:endoplasmic reticulum calcium ATPase	0.0035	0.0351	0.0311
Schistosoma mansoni	hypothetical protein	0.0529	1	1
Trypanosoma brucei	calcium-translocating P-type ATPase	0.0028	0.0216	0.6163
Entamoeba histolytica	hypothetical protein	0.0035	0.0351	1
Brugia malayi	MH1 domain containing protein	0.0019	0.0042	0.0083
Trypanosoma brucei	vacuolar-type Ca2+-ATPase, putative	0.0035	0.0351	1
Toxoplasma gondii	P-type ATPase4, putative	0.0035	0.0351	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.0647	0.1284
Giardia lamblia	Plasma membrane calcium-transporting ATPase 2	0.0035	0.0351	0.1388
Plasmodium vivax	P-type ATPase4, putative	0.0035	0.0351	1
Schistosoma mansoni	na+/k+ atpase alpha subunit	0.0077	0.1187	0.115
Brugia malayi	RNA recognition motif domain containing protein	0.0189	0.3374	0.6697
Loa Loa (eye worm)	transcription factor SMAD2	0.0274	0.5038	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0019	0.0042	0.0083
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0051	0.0676	0.1343
Echinococcus granulosus	calcium transporting atpase	0.0028	0.0216	0.0175
Schistosoma mansoni	tar DNA-binding protein	0.0189	0.3374	0.3346
Giardia lamblia	Potassium-transporting ATPase alpha chain 1	0.0077	0.1187	1
Schistosoma mansoni	calcium-transporting atpase sarcoplasmic/endoplasmic reticulum type (calcium pump)	0.0028	0.0216	0.0175
Loa Loa (eye worm)	E1-E2 ATPase	0.0022	0.0106	0.021
Toxoplasma gondii	plasma membrane-type Ca(2+)-ATPase A1 PMCAA1	0.0028	0.0216	0.4509
Echinococcus granulosus	plasma membrane calcium transporting ATPase	0.0028	0.0216	0.0175
Loa Loa (eye worm)	hypothetical protein	0.0084	0.1322	0.2623
Plasmodium falciparum	non-SERCA-type Ca2+ -transporting P-ATPase	0.0035	0.0351	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0544	0.0504
Entamoeba histolytica	Plasma membrane calcium-transporting ATPase, putative	0.0035	0.0351	0.9987
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.0028	0.0216	0.4509
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0544	0.0504
Trypanosoma cruzi	plasma membrane Ca2+ ATPase	0.0035	0.0351	1
Schistosoma mansoni	ATPase	0.0035	0.0351	0.0311
Trypanosoma brucei	vacuolar-type Ca2+-ATPase 2	0.0035	0.0351	1
Brugia malayi	Na,K-ATPase alpha subunit	0.0084	0.1322	0.2623
Trypanosoma brucei	P-type H+-ATPase, putative	0.0022	0.0106	0.3012
Schistosoma mansoni	Na+/K+ transporting ATPase subunit alpha	0.0084	0.1322	0.1285
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0189	0.3374	0.6697
Plasmodium vivax	calcium-transporting ATPase, putative	0.0035	0.0351	1
Loa Loa (eye worm)	Smad1	0.0019	0.0042	0.0083
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0351	0.0311
Schistosoma mansoni	hypothetical protein	0.0111	0.1837	0.1803
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0162	0.2837	0.5632
Loa Loa (eye worm)	MH1 domain-containing protein	0.0019	0.0042	0.0083
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0051	0.0676	0.0637
Echinococcus granulosus	GPCR family 2	0.0051	0.0676	0.0637
Brugia malayi	MH2 domain containing protein	0.0274	0.5038	1
Entamoeba histolytica	Plasma membrane calcium-transporting ATPase, putative	0.0035	0.0351	0.9987
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.0035	0.0351	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0154	0.0306
Trypanosoma cruzi	P-type H+-ATPase, putative	0.0022	0.0106	0.3012
Echinococcus granulosus	tar DNA binding protein	0.0189	0.3374	0.3346
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0351	0.0311
Brugia malayi	hypothetical protein	0.0024	0.0154	0.0306
Brugia malayi	Membrane calcium atpase protein 3	0.0028	0.0216	0.043
Echinococcus multilocularis	calcium transporting atpase	0.0028	0.0216	0.0175
Schistosoma mansoni	hypothetical protein	0.0051	0.0676	0.0637
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0351	0.0311
Loa Loa (eye worm)	sodium/potassium-transporting ATPase subunit alpha	0.0073	0.1105	0.2194
Schistosoma mansoni	tar DNA-binding protein	0.0189	0.3374	0.3346
Trypanosoma cruzi	calcium motive p-type ATPase, putative	0.0028	0.0216	0.6163
Schistosoma mansoni	hypothetical protein	0.0529	1	1
Schistosoma mansoni	plasma membrane calcium-transporting atpase	0.0028	0.0216	0.0175
Loa Loa (eye worm)	hypothetical protein	0.0162	0.2837	0.5632
Schistosoma mansoni	plasma membrane calcium-transporting atpase	0.0028	0.0216	0.0175
Brugia malayi	Smad1	0.0019	0.0042	0.0083
Loa Loa (eye worm)	Na,K-ATPase alpha subunit	0.0084	0.1322	0.2623
Mycobacterium leprae	PROBABLE CATION-TRANSPORTER ATPASE I CTPI	0.0073	0.1105	0.5
Leishmania major	calcium motive p-type ATPase, putative	0.0028	0.0216	0.4509
Schistosoma mansoni	hypothetical protein	0.0035	0.0351	0.0311
Brugia malayi	Calcium-transporting ATPase sarcoplasmic/endoplasmic reticulum type	0.0028	0.0216	0.043
Trypanosoma brucei	P-type H+-ATPase, putative	0.0022	0.0106	0.3012
Echinococcus granulosus	calcium transporting ATPase type 2C member	0.0035	0.0351	0.0311
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0544	0.0504
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.0035	0.0351	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0044	0.0544	0.1079
Echinococcus granulosus	Ca2 transporting ATPase plasma membrane	0.0028	0.0216	0.0175
Trypanosoma cruzi	calcium motive p-type ATPase, putative	0.0028	0.0216	0.6163
Echinococcus multilocularis	plasma membrane calcium transporting ATPase	0.0028	0.0216	0.0175
Mycobacterium ulcerans	metal cation transporter p-type ATPase a	0.0084	0.1322	1
Leishmania major	calcium-translocating P-type ATPase	0.0035	0.0351	1
Entamoeba histolytica	calcium-transporting P-type ATPase, putative	0.0035	0.0351	0.9987
Entamoeba histolytica	hypothetical protein	0.0035	0.0351	1
Echinococcus multilocularis	Na+:K+ ATPase alpha subunit	0.0077	0.1187	0.115
Schistosoma mansoni	calcium-transporting atpase sarcoplasmic/endoplasmic reticulum type (calcium pump)	0.0028	0.0216	0.0175
Brugia malayi	haloacid dehalogenase-like hydrolase family protein	0.0019	0.0057	0.0112
Brugia malayi	TAR-binding protein	0.0189	0.3374	0.6697
Trypanosoma brucei	calcium motive p-type ATPase, putative	0.0028	0.0216	0.6163
Echinococcus granulosus	plasma membrane calcium transporting ATPase 2	0.0035	0.0351	0.0311
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0162	0.2837	0.5632
Mycobacterium ulcerans	metal cation-transporting p-type ATPase F, CtpF	0.0035	0.0351	0.1823
Leishmania major	calcium-transporting ATPase, putative	0.0028	0.0216	0.4509
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0351	0.0697
Schistosoma mansoni	tar DNA-binding protein	0.0189	0.3374	0.3346
Entamoeba histolytica	hypothetical protein	0.0035	0.0351	1
Brugia malayi	Sodium/potassium-transporting ATPase alpha chain, putative	0.0073	0.1105	0.2194
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0544	0.0504
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1837	0.3647
Brugia malayi	latrophilin 2 splice variant baaae	0.0111	0.1837	0.3647
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0676	0.1343
Leishmania major	P-type ATPase, putative	0.0028	0.0216	0.4509
Brugia malayi	MH1 domain containing protein	0.0019	0.0042	0.0083
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0051	0.0676	0.0637
Leishmania major	hypothetical protein, conserved	0.0024	0.0154	0.198
Schistosoma mansoni	tar DNA-binding protein	0.0189	0.3374	0.3346
Trypanosoma cruzi	plasma membrane Ca2+ ATPase	0.0035	0.0351	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0024	0.0154	0.4396
Brugia malayi	Latrophilin receptor protein 2	0.0051	0.0676	0.1343
Trypanosoma cruzi	P-type H+-ATPase, putative	0.0022	0.0106	0.3012
Entamoeba histolytica	hypothetical protein	0.0035	0.0351	1
Entamoeba histolytica	Plasma membrane calcium-transporting ATPase, putative	0.0035	0.0351	0.9987
Echinococcus granulosus	sarco:endoplasmic reticulum calcium ATPase	0.0035	0.0351	0.0311
Loa Loa (eye worm)	RNA binding protein	0.0189	0.3374	0.6697
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0162	0.2837	0.5632
Loa Loa (eye worm)	TAR-binding protein	0.0189	0.3374	0.6697
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0051	0.0676	0.1343
Echinococcus multilocularis	Tetracycline resistance leader peptide, TetL	0.0035	0.0351	0.0311
Schistosoma mansoni	hypothetical protein	0.0051	0.0676	0.0637
Brugia malayi	E1-E2 ATPase family protein	0.0022	0.0106	0.021
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0544	0.0504
Echinococcus multilocularis	geminin	0.0529	1	1
Echinococcus granulosus	Na:K ATPase alpha subunit	0.0077	0.1187	0.115
Toxoplasma gondii	calcium-translocating P-type ATPase, PMCA-type protein	0.0035	0.0351	1
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.0035	0.0351	1
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0892	0.1771
Toxoplasma gondii	LsmAD domain-containing protein	0.0024	0.0154	0.198
Schistosoma mansoni	calcium-transporting atpase 2 (atpase 2)	0.0028	0.0216	0.0175
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0544	0.0504
Schistosoma mansoni	hypothetical protein	0.0051	0.0676	0.0637
Leishmania major	vacuolar-type Ca2 -ATPase, putative	0.0035	0.0351	1
Echinococcus multilocularis	calcium transporting ATPase type 2C member	0.0035	0.0351	0.0311
Loa Loa (eye worm)	calcium ATPase	0.0019	0.0057	0.0112
Trichomonas vaginalis	cation-transporting ATPase, putative	0.0035	0.0351	1
Leishmania major	vacuolar-type Ca2 -ATPase, putative	0.0035	0.0351	1
Trypanosoma brucei	PAB1-binding protein , putative	0.0024	0.0154	0.4396
Mycobacterium tuberculosis	Possible metal cation transporting P-type ATPase CtpH	0.0023	0.0135	0.5
Trypanosoma brucei	vacuolar-type Ca2+-ATPase 1	0.0035	0.0351	1
Echinococcus multilocularis	Ca2+ transporting ATPase plasma membrane	0.0028	0.0216	0.0175
Trichomonas vaginalis	cation-transporting ATPase fungi, putative	0.0035	0.0351	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0544	0.0504
Schistosoma mansoni	ATPase	0.0035	0.0351	0.0311
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0051	0.0676	0.0637
Brugia malayi	MH2 domain containing protein	0.0019	0.0042	0.0083
Plasmodium falciparum	calcium-transporting ATPase	0.0028	0.0216	0.3153
Brugia malayi	MH2 domain containing protein	0.0019	0.0042	0.0083
Onchocerca volvulus		0.0084	0.1322	0.5
Toxoplasma gondii	sarco/endoplasmic reticulum Ca2+-ATPase	0.0035	0.0351	1
Schistosoma mansoni	tar DNA-binding protein	0.0189	0.3374	0.3346
Trypanosoma cruzi	PAB1-binding protein , putative	0.0024	0.0154	0.4396
Echinococcus multilocularis	GPCR, family 2	0.0051	0.0676	0.0637
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0044	0.0544	0.1079
Brugia malayi	hypothetical protein	0.0035	0.0351	0.0698
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.0035	0.0351	1
Schistosoma mansoni	hypothetical protein	0.0051	0.0676	0.0637
Trypanosoma cruzi	Calcium ATPase SERCA-like	0.0035	0.0351	1
Trichomonas vaginalis	cation-transporting ATPase, putative	0.0035	0.0351	1
Trichomonas vaginalis	cation-transporting ATPase, putative	0.0035	0.0351	1
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.0035	0.0351	1
Brugia malayi	RNA binding protein	0.0189	0.3374	0.6697
Loa Loa (eye worm)	MH2 domain-containing protein	0.0274	0.5038	1
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0051	0.0676	0.0637

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	ChEMBL.	No reference

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: CHEMBL1888790

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 1582703