TDR Targets

Basic information

Technical information

TDR Targets ID: 1771882
Name: N-(4-bromophenyl)-2-(5-hydroxy-4-oxo-2-phenyl chromen-7-yl)oxyacetamide
MW: 466.281 | Formula: C23H16BrNO5
H donors: 2 H acceptors: 3 LogP: 4.94 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1ccc(cc1)Br)COc1cc(O)c2c(c1)oc(cc2=O)c1ccccc1
InChi: 1S/C23H16BrNO5/c24-15-6-8-16(9-7-15)25-22(28)13-29-17-10-18(26)23-19(27)12-20(30-21(23)11-17)14-4-2-1-3-5-14/h1-12,26H,13H2,(H,25,28)
InChiKey: WHMLTTKUXSPHKB-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

N-(4-bromophenyl)-2-(5-hydroxy-4-oxo-2-phenyl-chromen-7-yl)oxy-acetamide
N-(4-bromophenyl)-2-[(5-hydroxy-4-oxo-2-phenyl-7-chromenyl)oxy]acetamide
N-(4-bromophenyl)-2-(5-hydroxy-4-keto-2-phenyl-chromen-7-yl)oxy-acetamide
N-(4-bromophenyl)-2-(5-hydroxy-4-oxo-2-phenyl-chromen-7-yl)oxy-ethanamide
STOCK1N-48574

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	ABL proto-oncogene 1, non-receptor tyrosine kinase	Starlite/ChEMBL	References
Homo sapiens	ABL proto-oncogene 2, non-receptor tyrosine kinase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	Proto-oncogene tyrosine-protein kinase ABL1, putative	Get druggable targets OG5_131234	All targets in OG5_131234
Schistosoma japonicum	Tyrosine-protein kinase transforming protein Abl, putative	Get druggable targets OG5_131234	All targets in OG5_131234
Brugia malayi	Tyrosine-protein kinase abl-1	Get druggable targets OG5_131234	All targets in OG5_131234
Schistosoma japonicum	Tyrosine-protein kinase transforming protein Abl, putative	Get druggable targets OG5_131234	All targets in OG5_131234
Echinococcus multilocularis	tyrosine protein kinase Abl	Get druggable targets OG5_131234	All targets in OG5_131234
Echinococcus granulosus	tyrosine protein kinase ABL1	Get druggable targets OG5_131234	All targets in OG5_131234
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131234	All targets in OG5_131234
Schistosoma japonicum	expressed protein	Get druggable targets OG5_131234	All targets in OG5_131234
Loa Loa (eye worm)	TK/ABL protein kinase	Get druggable targets OG5_131234	All targets in OG5_131234
Echinococcus multilocularis	tyrosine protein kinase ABL1	Get druggable targets OG5_131234	All targets in OG5_131234
Schistosoma japonicum	expressed protein	Get druggable targets OG5_131234	All targets in OG5_131234
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_131234	All targets in OG5_131234

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
Brugia malayi	ecdysone receptor	0.006	0.0307	0.1185
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0227	0.1473	0.5096
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.006	0.0307	0.0348
Loa Loa (eye worm)	CMGC/CDK/CDK5 protein kinase	0.0099	0.0579	0.1685
Schistosoma mansoni	coup transcription factor	0.0227	0.1473	0.1473
Loa Loa (eye worm)	hypothetical protein	0.006	0.0307	0.0895
Echinococcus multilocularis	FTZ F1 alpha	0.0227	0.1473	0.1667
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0227	0.1473	0.5677
Schistosoma mansoni	zinc finger protein	0.006	0.0307	0.0307
Loa Loa (eye worm)	hypothetical protein	0.0193	0.1231	0.3586
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.006	0.0307	0.0348
Trypanosoma brucei	wee1-like protein kinase	0.013	0.0796	1
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0227	0.1473	0.1473
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0227	0.1473	0.5677
Echinococcus granulosus	cyclin dependent kinase	0.0099	0.0579	0.0579
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0227	0.1473	0.1473
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0227	0.1473	0.1667
Onchocerca volvulus	Bile acid receptor homolog	0.0387	0.2595	1
Loa Loa (eye worm)	hypothetical protein	0.006	0.0307	0.0895
Loa Loa (eye worm)	hypothetical protein	0.0167	0.1051	0.306
Loa Loa (eye worm)	hypothetical protein	0.0227	0.1473	0.429
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0227	0.1473	0.5677
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.006	0.0307	0.0307
Trichomonas vaginalis	CMGC family protein kinase	0.0099	0.0579	0.5
Schistosoma mansoni	RAR-like nuclear receptor	0.0227	0.1473	0.1473
Schistosoma mansoni	thyroid hormone receptor	0.0227	0.1473	0.1473
Loa Loa (eye worm)	hypothetical protein	0.0167	0.1051	0.306
Brugia malayi	nuclear hormone receptor family member nhr-6	0.006	0.0307	0.1185
Brugia malayi	nuclear receptor NHR-88	0.006	0.0307	0.1185
Schistosoma mansoni	tyrosine kinase	0.05	0.3383	0.3383
Loa Loa (eye worm)	hypothetical protein	0.0167	0.1051	0.306
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0227	0.1473	0.429
Trichomonas vaginalis	CMGC family protein kinase	0.0099	0.0579	0.5
Loa Loa (eye worm)	hypothetical protein	0.006	0.0307	0.0895
Echinococcus multilocularis	ecdysone induced protein 78C	0.0227	0.1473	0.1667
Plasmodium vivax	protein kinase Crk2	0.0099	0.0579	0.5
Schistosoma mansoni	nuclear hormone receptor	0.006	0.0307	0.0307
Brugia malayi	cell division control protein 2 homolog	0.0099	0.0579	0.223
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0227	0.1473	0.5677
Schistosoma mansoni	nuclear receptor	0.006	0.0307	0.0307
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0167	0.1051	0.1189
Brugia malayi	nuclear receptor NHR-88	0.0227	0.1473	0.5677
Brugia malayi	hypothetical protein	0.006	0.0307	0.1185
Loa Loa (eye worm)	hypothetical protein	0.0227	0.1473	0.429
Trypanosoma cruzi	Wee1-like protein kinase, putative	0.013	0.0796	1
Schistosoma mansoni	thyroid hormone receptor	0.0227	0.1473	0.1473
Leishmania major	protein kinase, putative,serine/threonine protein kinase, putative	0.013	0.0796	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0227	0.1473	0.1473
Echinococcus granulosus	cyclin dependent kinase 5	0.0099	0.0579	0.0579
Echinococcus multilocularis	cyclin dependent kinase 1	0.0099	0.0579	0.0655
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0227	0.1473	0.5677
Echinococcus granulosus	Nuclear hormone receptor HR96	0.006	0.0307	0.0307
Brugia malayi	Tyrosine-protein kinase abl-1	0.0207	0.1332	0.5133
Brugia malayi	Nuclear hormone receptor-like 1	0.0167	0.1051	0.405
Schistosoma mansoni	nuclear receptor	0.006	0.0307	0.0307
Brugia malayi	nuclear receptor RXR	0.0167	0.1051	0.405
Trichomonas vaginalis	CMGC family protein kinase	0.0099	0.0579	0.5
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0227	0.1473	0.1667
Loa Loa (eye worm)	hypothetical protein	0.0227	0.1473	0.429
Echinococcus granulosus	ecdysone induced protein 78C	0.0227	0.1473	0.1473
Brugia malayi	Nuclear hormone receptor E75	0.006	0.0307	0.1185
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.006	0.0307	0.0348
Echinococcus multilocularis	cyclin dependent kinase	0.0099	0.0579	0.0655
Loa Loa (eye worm)	hypothetical protein	0.0227	0.1473	0.429
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0227	0.1473	0.1473
Entamoeba histolytica	cell division protein kinase 2, putative	0.0099	0.0579	0.5
Brugia malayi	Nuclear hormone receptor-like 1	0.0227	0.1473	0.5677
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0227	0.1473	0.1473
Loa Loa (eye worm)	hypothetical protein	0.006	0.0307	0.0895
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0227	0.1473	0.5677
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0227	0.1473	0.429
Brugia malayi	conserved hypotetical protein	0.006	0.0307	0.1185
Brugia malayi	nuclear receptor RXR	0.006	0.0307	0.1185
Loa Loa (eye worm)	hypothetical protein	0.0387	0.2595	0.7557
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0227	0.1473	0.5677
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0227	0.1473	0.5677
Brugia malayi	nuclear hormone receptor	0.006	0.0307	0.1185
Echinococcus granulosus	tyrosine protein kinase ABL1	0.0507	0.3434	0.3434
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0227	0.1473	0.1667
Schistosoma mansoni	nuclear receptor nhr-48	0.006	0.0307	0.0307
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0227	0.1473	0.5677
Loa Loa (eye worm)	hypothetical protein	0.0227	0.1473	0.429
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0227	0.1473	0.429
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0227	0.1473	0.5677
Loa Loa (eye worm)	hypothetical protein	0.006	0.0307	0.0895
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0227	0.1473	0.1473
Schistosoma mansoni	serine/threonine protein kinase	0.0379	0.2532	0.2532
Loa Loa (eye worm)	hypothetical protein	0.006	0.0307	0.0895
Leishmania major	serine/threonine-protein kinase, putative,protein kinase, putative	0.013	0.0796	1
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.006	0.0307	0.0307
Brugia malayi	hypothetical protein	0.006	0.0307	0.1185
Onchocerca volvulus	Protein ultraspiracle homolog	0.0227	0.1473	0.5096
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0227	0.1473	0.1473
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.006	0.0307	0.1185
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0227	0.1473	0.1667
Brugia malayi	Protein kinase domain containing protein	0.0379	0.2532	0.976
Echinococcus multilocularis	cyclin dependent kinase 5	0.0099	0.0579	0.0655
Loa Loa (eye worm)	hypothetical protein	0.006	0.0307	0.0895
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0227	0.1473	0.429
Loa Loa (eye worm)	hypothetical protein	0.006	0.0307	0.0895
Trypanosoma cruzi	Wee1-like protein kinase, putative	0.013	0.0796	1
Loa Loa (eye worm)	hypothetical protein	0.006	0.0307	0.0895
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.006	0.0307	0.0307
Echinococcus granulosus	FTZ F1 alpha	0.0227	0.1473	0.1473
Loa Loa (eye worm)	DR-78	0.006	0.0307	0.0895
Brugia malayi	Nuclear hormone receptor E75	0.006	0.0307	0.1185
Trypanosoma cruzi	Wee1-like protein kinase, putative	0.013	0.0796	1
Echinococcus multilocularis	nuclear receptor nhr 48	0.006	0.0307	0.0348
Loa Loa (eye worm)	hypothetical protein	0.0167	0.1051	0.306
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0227	0.1473	0.1473
Loa Loa (eye worm)	nuclear hormone receptor	0.006	0.0307	0.0895
Brugia malayi	Steroid receptor seven-up type 2	0.0227	0.1473	0.5677
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.128	0.8834	1
Brugia malayi	hypothetical protein	0.0167	0.1051	0.405
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0099	0.0579	0.1685
Echinococcus granulosus	5'partial\|cyclin dependent kinase 1	0.0099	0.0579	0.0579
Loa Loa (eye worm)	TK/ABL protein kinase	0.0507	0.3434	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0227	0.1473	0.429
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0167	0.1051	0.1051
Schistosoma mansoni	serine/threonine protein kinase	0.0099	0.0579	0.0579
Schistosoma mansoni	nuclear hormone receptor	0.006	0.0307	0.0307
Schistosoma mansoni	retinoic acid receptor RXR	0.1447	1	1
Loa Loa (eye worm)	hypothetical protein	0.006	0.0307	0.0895
Brugia malayi	Nuclear hormone receptor-like 1	0.0167	0.1051	0.405
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0099	0.0579	0.1685
Echinococcus multilocularis	cyclin dependent kinase 1	0.0099	0.0579	0.0655
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0227	0.1473	0.1473
Brugia malayi	Protein kinase domain containing protein	0.0099	0.0579	0.223
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0227	0.1473	0.429
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.006	0.0307	0.0348
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0557	0.1622
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.006	0.0307	0.0307
Brugia malayi	nuclear hormone receptor	0.0227	0.1473	0.5677
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0167	0.1051	0.306
Loa Loa (eye worm)	hypothetical protein	0.0167	0.1051	0.306
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0227	0.1473	0.1667
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0227	0.1473	0.1473
Brugia malayi	ecdysteroid receptor	0.0387	0.2595	1
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0227	0.1473	0.1667
Entamoeba histolytica	cell division protein kinase 2, putative	0.0099	0.0579	0.5
Schistosoma mansoni	serine/threonine protein kinase	0.0099	0.0579	0.0579
Brugia malayi	Tyrosine-protein kinase abl-1	0.0308	0.2037	0.785
Brugia malayi	hypothetical protein	0.0167	0.1051	0.405
Loa Loa (eye worm)	hypothetical protein	0.0227	0.1473	0.429
Giardia lamblia	Kinase, CMGC CDK	0.0099	0.0579	0.5
Brugia malayi	tailless protein	0.006	0.0307	0.1185
Echinococcus multilocularis	tyrosine protein kinase ABL1	0.0507	0.3434	0.3887
Brugia malayi	nuclear receptor NHR-67	0.006	0.0307	0.1185
Brugia malayi	orphan nuclear receptor NR2E1	0.006	0.0307	0.1185
Loa Loa (eye worm)	hypothetical protein	0.006	0.0307	0.0895
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0227	0.1473	0.429
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0167	0.1051	0.1051
Brugia malayi	nuclear hormone receptor family member odr-7	0.006	0.0307	0.1185
Loa Loa (eye worm)	hypothetical protein	0.006	0.0307	0.0895
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0227	0.1473	0.5677
Loa Loa (eye worm)	steroid hormone receptor	0.0227	0.1473	0.429
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0227	0.1473	0.5677
Echinococcus granulosus	tyrosine protein kinase Lyn	0.002	0.0022	0.0022
Loa Loa (eye worm)	hypothetical protein	0.006	0.0307	0.0895
Toxoplasma gondii	cell-cycle-associated protein kinase CDK, putative	0.0099	0.0579	0.5
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0207	0.1332	0.1508
Echinococcus granulosus	cyclin dependent kinase 1	0.0099	0.0579	0.0579
Schistosoma mansoni	nuclear hormone receptor	0.0227	0.1473	0.1473
Loa Loa (eye worm)	nuclear receptor NHR-67	0.006	0.0307	0.0895
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.006	0.0307	0.0895
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0227	0.1473	0.1667
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0227	0.1473	0.1473
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0227	0.1473	0.1473
Echinococcus granulosus	thyroid hormone receptor alpha	0.006	0.0307	0.0307
Echinococcus granulosus	nuclear receptor nhr 48	0.006	0.0307	0.0307
Onchocerca volvulus		0.0227	0.1473	0.5096
Brugia malayi	photoreceptor-specific nuclear receptor	0.0227	0.1473	0.5677
Loa Loa (eye worm)	CAMK/CAMKL/CHK1 protein kinase	0.0379	0.2532	0.7375
Giardia lamblia	Kinase, CMGC CDK	0.0099	0.0579	0.5
Echinococcus granulosus	Nuclear hormone receptor HR96	0.006	0.0307	0.0307
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0227	0.1473	0.5677
Loa Loa (eye worm)	hypothetical protein	0.0227	0.1473	0.429
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0167	0.1051	0.1051
Plasmodium falciparum	protein kinase 5	0.0099	0.0579	0.5
Brugia malayi	steroid hormone receptor	0.0227	0.1473	0.5677
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0227	0.1473	0.1473

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.29 uM	Inhibition of wild-type ABL1 (unknown origin)	ChEMBL.	23790540
IC50 (binding)	= 0.49 uM	Inhibition of ABL T315I mutant (unknown origin)	ChEMBL.	23790540

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: CHEMBL2408501

Bibliographic References

1 literature reference was collected for this gene.

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

Detailed information for compound 1771882