TDR Targets

Basic information

Technical information

TDR Targets ID: 1574022
Name: ZINC04843896
MW: 388.416 | Formula: C23H20N2O4
H donors: 1 H acceptors: 3 LogP: 2.63 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccccc1NC(=O)c1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C[C@@H]2C=C1
InChi: 1S/C23H20N2O4/c1-29-18-5-3-2-4-17(18)24-21(26)13-8-10-16(11-9-13)25-22(27)19-14-6-7-15(12-14)20(19)23(25)28/h2-11,14-15,19-20H,12H2,1H3,(H,24,26)/t14-,15+,19-,20+
InChiKey: DJNKPZHCFDLKGH-LOHFZDIYSA-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

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	wingless-type MMTV integration site family, member 3	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	Wnt-2 protein precursor	wingless-type MMTV integration site family, member 3	355 aa	358 aa	37.4 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Leishmania major	aldo-keto reductase-like protein	0.0061	0.981	1
Schistosoma mansoni	aldo-keto reductase	0.0061	0.981	0.981
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0061	0.981	0.981
Echinococcus multilocularis	aldo keto reductase	0.0061	0.981	0.981
Loa Loa (eye worm)	oxidoreductase	0.0061	0.981	0.981
Schistosoma mansoni	jumonji domain containing protein	0.0062	1	1
Echinococcus granulosus	aldehyde reductase	0.0043	0.581	0.581
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0061	0.981	0.981
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0061	0.981	0.981
Echinococcus granulosus	lysine specific demethylase 5A	0.0062	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0061	0.981	0.981
Trichomonas vaginalis	aldo/keto reductase, putative	0.0061	0.981	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0061	0.981	0.981
Trichomonas vaginalis	aldo-keto reductase, putative	0.0061	0.981	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0061	0.981	0.981
Plasmodium falciparum	ataxin-2 like protein, putative	0.0027	0.2	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0027	0.2	0.2039
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0061	0.981	0.981
Trypanosoma brucei	aldo-keto reductase, putative	0.0061	0.981	1
Leishmania major	prostaglandin f synthase, putative	0.0061	0.981	1
Echinococcus multilocularis	aldo keto reductase	0.0061	0.981	0.981
Echinococcus granulosus	aldo keto reductase	0.0061	0.981	0.981
Echinococcus granulosus	aldo keto reductase	0.0061	0.981	0.981
Toxoplasma gondii	LsmAD domain-containing protein	0.0027	0.2	0.2039
Onchocerca volvulus		0.0061	0.981	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0061	0.981	0.981
Trichomonas vaginalis	aldo-keto reductase, putative	0.0061	0.981	1
Onchocerca volvulus		0.0061	0.981	1
Plasmodium vivax	ataxin-2 like protein, putative	0.0027	0.2	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0061	0.981	0.981
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0062	1	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0061	0.981	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0027	0.2	1
Entamoeba histolytica	aldose reductase, putative	0.0061	0.981	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0061	0.981	0.981
Onchocerca volvulus		0.0061	0.981	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0061	0.981	0.981
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0061	0.981	0.981
Brugia malayi	hypothetical protein	0.0027	0.2	0.2
Trichomonas vaginalis	aldo-keto reductase, putative	0.0061	0.981	1
Entamoeba histolytica	aldose reductase, putative	0.0061	0.981	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.2	0.2
Onchocerca volvulus		0.0061	0.981	1
Mycobacterium ulcerans	oxidoreductase	0.0061	0.981	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0061	0.981	0.981
Entamoeba histolytica	aldose reductase, putative	0.0061	0.981	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0061	0.981	0.981
Loa Loa (eye worm)	hypothetical protein	0.0061	0.981	0.981
Loa Loa (eye worm)	oxidoreductase	0.0061	0.981	0.981
Trypanosoma cruzi	PAB1-binding protein , putative	0.0027	0.2	0.2039
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0061	0.981	0.981
Echinococcus multilocularis	aldehyde reductase	0.0043	0.581	0.581
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0061	0.981	0.981
Trypanosoma brucei	PAB1-binding protein , putative	0.0027	0.2	0.2039
Trichomonas vaginalis	aldo/keto reductase, putative	0.0061	0.981	1
Echinococcus multilocularis	aldo keto reductase	0.0061	0.981	0.981
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0061	0.981	0.981
Brugia malayi	jmjC domain containing protein	0.0062	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0061	0.981	0.981
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0061	0.981	0.981
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.0061	0.981	1
Schistosoma mansoni	aldo-keto reductase	0.0061	0.981	0.981
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0062	1	1
Loa Loa (eye worm)	oxidoreductase	0.0061	0.981	0.981
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0061	0.981	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0061	0.981	1
Echinococcus granulosus	aldo keto reductase	0.0061	0.981	0.981
Echinococcus multilocularis	lysine specific demethylase 5A	0.0062	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0061	0.981	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0061	0.981	1
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.0061	0.981	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0061	0.981	1
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0062	1	1
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0062	1	1
Trypanosoma cruzi	aldo-keto reductase	0.0061	0.981	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0061	0.981	0.981
Trypanosoma cruzi	aldo/keto reductase, putative	0.0061	0.981	1
Echinococcus granulosus	hypothetical protein	0.0061	0.981	0.981
Leishmania major	hypothetical protein, conserved	0.0027	0.2	0.2039
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.0061	0.981	1
Mycobacterium leprae	Conserved hypothetical protein	0.0043	0.581	0.5922
Schistosoma mansoni	pol-related	0.0061	0.981	0.981
Onchocerca volvulus		0.0061	0.981	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0061	0.981	1
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0061	0.981	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0061	0.981	0.981
Trichomonas vaginalis	aldo-keto reductase, putative	0.0061	0.981	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0061	0.981	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0061	0.981	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0061	0.981	0.981
Trichomonas vaginalis	aldo-keto reductase, putative	0.0061	0.981	1
Toxoplasma gondii	aldose reductase, putative	0.0061	0.981	1
Giardia lamblia	Aldose reductase	0.0061	0.981	0.5
Trypanosoma brucei	prostaglandin f synthase	0.0061	0.981	1
Echinococcus multilocularis	aldo keto reductase	0.0061	0.981	0.981
Trichomonas vaginalis	aldo/keto reductase, putative	0.0061	0.981	1
Giardia lamblia	Aldose reductase	0.0061	0.981	0.5
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0061	0.981	1
Loa Loa (eye worm)	oxidoreductase	0.0061	0.981	0.981
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0061	0.981	0.981
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0061	0.981	0.981
Loa Loa (eye worm)	jmjC domain-containing protein	0.0062	1	1
Onchocerca volvulus		0.0061	0.981	1
Loa Loa (eye worm)	oxidoreductase	0.0061	0.981	0.981

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (binding)	= 1 uM	Inhibition of Wnt3 expressed in mouse L-cells assessed as inhibition of Wnt/catanin signaling pathway by luciferase reporter gene assay	ChEMBL.	19410457

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: CHEMBL550442

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 1574022