TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 262.306 | Formula: C17H14N2O
H donors: 0 H acceptors: 2 LogP: 2.87 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: c1ccc(cc1)COc1cncc(c1)c1cccnc1
InChi: 1S/C17H14N2O/c1-2-5-14(6-3-1)13-20-17-9-16(11-19-12-17)15-7-4-8-18-10-15/h1-12H,13H2
InChiKey: TXLAGTUEPAYTPM-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

Species	Target name	Source	Bibliographic reference
Homo sapiens	bromodomain adjacent to zinc finger domain, 2B	Starlite/ChEMBL	No references
Homo sapiens	nuclear factor, erythroid 2-like 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Brugia malayi	Bromodomain containing protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	Conserved hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	expressed protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma mansoni	bromodomain containing protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	ko:K01549 ATP synthase [EC3.6.3.14], putative	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	Cleft lip and palate transmembrane protein 1-like protein, putative	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570

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	0.0052	0.0134	0.0029
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.0381	0.1958	0.1958
Brugia malayi	MBOAT family protein	0.0381	0.1958	0.2406
Echinococcus granulosus	lysophospholipid acyltransferase 7	0.0381	0.1958	0.1958
Trypanosoma cruzi	glycerol uptake protein, putative	0.0381	0.1958	0.5
Brugia malayi	MBOAT family protein	0.0381	0.1958	0.2406
Trichomonas vaginalis	conserved hypothetical protein	0.0381	0.1958	0.5
Loa Loa (eye worm)	diacylglycerol acyltransferase	0.1489	0.8087	0.8067
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.0381	0.1958	1
Trypanosoma cruzi	glycerol uptake protein, putative	0.0381	0.1958	0.5
Toxoplasma gondii	acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha	0.1489	0.8087	1
Trichomonas vaginalis	conserved hypothetical protein	0.0381	0.1958	0.5
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0072	0.0248	0.0248
Entamoeba histolytica	hypothetical protein, conserved	0.0381	0.1958	1
Echinococcus granulosus	Membrane bound O acyl transferase MBOAT	0.0381	0.1958	0.1958
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.0381	0.1958	0.1958
Schistosoma mansoni	hypothetical protein	0.0043	0.009	0.009
Loa Loa (eye worm)	MBOAT family protein	0.0381	0.1958	0.1872
Schistosoma mansoni	bromodomain containing protein	0.0076	0.0272	0.0272
Brugia malayi	MBOAT family protein	0.0381	0.1958	0.2406
Leishmania major	hypothetical protein, conserved	0.0381	0.1958	0.5
Echinococcus granulosus	protein cysteine N palmitoyltransferase	0.0381	0.1958	0.1958
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0043	0.009	0.009
Echinococcus multilocularis	membrane bound acyltransferase:hhat	0.0381	0.1958	0.1958
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0043	0.009	0.009
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.0381	0.1958	0.1958
Entamoeba histolytica	vacuolar protein sorting 26	0.0381	0.1958	1
Echinococcus multilocularis	sterol O acyltransferase 1	0.1835	1	1
Schistosoma mansoni	membrane-bound acyltransferase/hhat	0.0381	0.1958	0.1958
Loa Loa (eye worm)	membrane bound O-acyltransferase domain containing 1	0.0381	0.1958	0.1872
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0043	0.0089	0.0089
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.0381	0.1958	0.1958
Schistosoma mansoni	diacylglycerol O-acyltransferase 1	0.1489	0.8087	0.8087
Loa Loa (eye worm)	hypothetical protein	0.0381	0.1958	0.1872
Schistosoma mansoni	transcription factor LCR-F1	0.0043	0.009	0.009
Brugia malayi	MBOAT family protein	0.0381	0.1958	0.2406
Loa Loa (eye worm)	hypothetical protein	0.0381	0.1958	0.1872
Toxoplasma gondii	acyl-CoA:diacylglycerol acyltransferase 1-related enzyme	0.1489	0.8087	1
Trichomonas vaginalis	porcupine, putative	0.0381	0.1958	0.5
Brugia malayi	MBOAT family protein	0.0381	0.1958	0.2406
Trichomonas vaginalis	transmembrane protein nessy, putative	0.0381	0.1958	0.5
Trypanosoma brucei	glycerol uptake protein, putative	0.0381	0.1958	0.5
Schistosoma mansoni	sterol O-acyltransferase 1	0.1835	1	1
Trypanosoma cruzi	GUP1, putative	0.0381	0.1958	0.5
Plasmodium falciparum	diacylglycerol O-acyltransferase	0.1489	0.8087	0.5
Echinococcus multilocularis	diacylglycerol O acyltransferase 1	0.1489	0.8087	0.8087
Leishmania major	glycerol uptake protein, putative	0.0381	0.1958	0.5
Echinococcus granulosus	o acyltransferase membrane bound domain	0.0381	0.1958	0.1958
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0072	0.0248	0.0248
Plasmodium vivax	diacylglycerol O-acyltransferase, putative	0.1489	0.8087	0.5
Brugia malayi	hypothetical protein	0.0043	0.009	0.0092
Echinococcus multilocularis	protein cysteine N palmitoyltransferase	0.0381	0.1958	0.1958
Leishmania major	glycerol uptake protein, putative	0.0381	0.1958	0.5
Echinococcus granulosus	membrane bound acyltransferase:hhat	0.0381	0.1958	0.1958
Echinococcus multilocularis	Membrane bound O acyl transferase, MBOAT	0.0381	0.1958	0.1958
Brugia malayi	Bromodomain containing protein	0.0091	0.035	0.0415
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.0381	0.1958	1
Loa Loa (eye worm)	hypothetical protein	0.1108	0.5979	0.5936
Loa Loa (eye worm)	hypothetical protein	0.0381	0.1958	0.1872
Schistosoma mansoni	zinc finger protein	0.0381	0.1958	0.1958
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.0381	0.1958	0.1958
Leishmania major	glycerol uptake protein, putative	0.0381	0.1958	0.5
Echinococcus multilocularis	lysophospholipid acyltransferase 7	0.0381	0.1958	0.1958
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0122	0.0016
Leishmania major	glycerol uptake protein, putative	0.0381	0.1958	0.5
Loa Loa (eye worm)	MBOAT family protein	0.0381	0.1958	0.1872
Loa Loa (eye worm)	hypothetical protein	0.1835	1	1
Echinococcus granulosus	o acyltransferase membrane bound domain	0.0381	0.1958	0.1958
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0043	0.0089	0.0089
Trypanosoma cruzi	glycerol uptake protein, putative	0.0381	0.1958	0.5
Loa Loa (eye worm)	MBOAT family protein	0.0381	0.1958	0.1872
Treponema pallidum	alginate O-acetylation protein (algI)	0.0381	0.1958	0.5
Entamoeba histolytica	hypothetical protein	0.0381	0.1958	1
Loa Loa (eye worm)	hhat protein	0.0381	0.1958	0.1872
Echinococcus granulosus	o acyltransferase membrane bound domain	0.0381	0.1958	0.1958
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0322	0.0218
Schistosoma mansoni	hypothetical protein	0.0381	0.1958	0.1958
Brugia malayi	Hhat protein	0.0381	0.1958	0.2406
Echinococcus granulosus	diacylglycerol O acyltransferase 1	0.1489	0.8087	0.8087
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.0381	0.1958	1
Trichomonas vaginalis	conserved hypothetical protein	0.0381	0.1958	0.5
Onchocerca volvulus		0.0381	0.1958	0.5
Trypanosoma brucei	glycerol uptake protein, putative	0.0381	0.1958	0.5
Schistosoma mansoni	leukocyte receptor cluster (lrc) member 4 protein	0.0381	0.1958	0.1958
Loa Loa (eye worm)	hypothetical protein	0.1454	0.7891	0.7869
Leishmania major	glycerol uptake protein, putative	0.0381	0.1958	0.5
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.0381	0.1958	0.1958
Loa Loa (eye worm)	hhat protein	0.0381	0.1958	0.1872
Trypanosoma cruzi	GUP1, putative	0.0381	0.1958	0.5
Brugia malayi	Bromodomain containing protein	0.0046	0.0105	0.0111
Brugia malayi	diacylglycerol acyltransferase	0.1489	0.8087	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.7079 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference
Potency (functional)	2.0787 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	10.4179 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	11.5821 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference
Potency (functional)	23.7781 uM	PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	44.6684 uM	PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856]	ChEMBL.	No reference
Potency (functional)	100 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1714420

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1525405