TDR Targets

Basic information

Technical information

TDR Targets ID: 872067
Name: 7-[(3,5-dimethoxyphenyl)amino]-6-(4-methoxyph enyl)-7H-pyrrolo[4,3-b]pyridin-5-one
MW: 391.42 | Formula: C22H21N3O4
H donors: 1 H acceptors: 2 LogP: 3.2 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)N1C(Nc2cc(OC)cc(c2)OC)c2c(C1=O)cccn2
InChi: 1S/C22H21N3O4/c1-27-16-8-6-15(7-9-16)25-21(20-19(22(25)26)5-4-10-23-20)24-14-11-17(28-2)13-18(12-14)29-3/h4-13,21,24H,1-3H3
InChiKey: YSIJYFSPJJAXBE-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	hepatocyte nuclear factor 4 alpha	0.0028	0.0101	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.002	0	0.5
Schistosoma mansoni	tyrosinase precursor	0.0855	1	1
Brugia malayi	ecdysteroid receptor	0.0028	0.0101	0.0525
Schistosoma mansoni	retinoic acid receptor RXR	0.0028	0.0101	0.0101
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0028	0.0101	0.0101
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0028	0.0101	1
Brugia malayi	Steroid receptor seven-up type 2	0.0028	0.0101	0.0525
Schistosoma mansoni	coup transcription factor	0.0028	0.0101	0.0101
Echinococcus multilocularis	ecdysone induced protein 78C	0.0028	0.0101	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0028	0.0101	0.0525
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0028	0.0101	0.0525
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0	0.5
Brugia malayi	nuclear hormone receptor	0.0028	0.0101	0.0525
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.002	0	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0028	0.0101	0.0525
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0028	0.0101	0.0525
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0028	0.0101	0.0525
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0101	0.0525
Schistosoma mansoni	thyroid hormone receptor	0.0028	0.0101	0.0101
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.018	0.1921	1
Trypanosoma brucei	DNA polymerase IV, putative	0.002	0	0.5
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.018	0.1921	1
Brugia malayi	photoreceptor-specific nuclear receptor	0.0028	0.0101	0.0525
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0028	0.0101	0.0101
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0028	0.0101	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0028	0.0101	0.0525
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0028	0.0101	0.0525
Schistosoma mansoni	thyroid hormone receptor	0.0028	0.0101	0.0101
Loa Loa (eye worm)	tyrosinase 1	0.018	0.1921	1
Trypanosoma cruzi	DNA polymerase eta, putative	0.002	0	0.5
Leishmania major	DNA polymerase eta, putative	0.002	0	0.5
Mycobacterium ulcerans	DNA polymerase IV	0.002	0	0.5
Loa Loa (eye worm)	ShTK domain-containing protein	0.018	0.1921	1
Trichomonas vaginalis	DNA polymerase eta, putative	0.002	0	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0028	0.0101	0.0525
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0028	0.0101	0.0525
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0028	0.0101	0.0525
Schistosoma mansoni	nuclear hormone receptor	0.0028	0.0101	0.0101
Trypanosoma cruzi	DNA polymerase kappa, putative	0.002	0	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0028	0.0101	0.0525
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0028	0.0101	1
Trypanosoma brucei	DNA polymerase IV, putative	0.002	0	0.5
Trypanosoma brucei	DNA polymerase IV, putative	0.002	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.018	0.1921	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0028	0.0101	0.0101
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0028	0.0101	1
Schistosoma mansoni	RAR-like nuclear receptor	0.0028	0.0101	0.0101
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0028	0.0101	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0028	0.0101	0.0101
Mycobacterium tuberculosis	Conserved hypothetical protein	0.002	0	0.5
Trypanosoma cruzi	DNA polymerase kappa, putative	0.002	0	0.5
Brugia malayi	Nuclear hormone receptor-like 1	0.0028	0.0101	0.0525
Entamoeba histolytica	deoxycytidyl transferase, putative	0.002	0	0.5
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0028	0.0101	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0028	0.0101	1
Trypanosoma brucei	DNA polymerase eta, putative	0.002	0	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0028	0.0101	0.0525
Brugia malayi	nuclear receptor NHR-88	0.0028	0.0101	0.0525
Echinococcus multilocularis	FTZ F1 alpha	0.0028	0.0101	1
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0028	0.0101	0.0101
Trypanosoma brucei	unspecified product	0.002	0	0.5
Onchocerca volvulus		0.018	0.1921	1
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0101	0.0525
Echinococcus granulosus	FTZ F1 alpha	0.0028	0.0101	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0	0.5
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0028	0.0101	1
Loa Loa (eye worm)	hypothetical protein	0.018	0.1921	1
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0101	0.0525
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0	0.5
Giardia lamblia	DINP protein human, muc B family	0.002	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0101	0.0525
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0028	0.0101	0.0525
Leishmania major	DNA polymerase kappa, putative	0.002	0	0.5
Loa Loa (eye worm)	steroid hormone receptor	0.0028	0.0101	0.0525
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.002	0	0.5
Brugia malayi	Hypothetical tyrosinase-like protein F21C3.2 in chromosome I	0.018	0.1921	1
Onchocerca volvulus		0.018	0.1921	1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0028	0.0101	1
Onchocerca volvulus		0.018	0.1921	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.002	0	0.5
Loa Loa (eye worm)	ShTK domain-containing protein	0.018	0.1921	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0028	0.0101	0.0525
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0101	0.0525
Brugia malayi	Common central domain of tyrosinase family protein	0.018	0.1921	1
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.036	0.4079	0.4079
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0028	0.0101	0.0101
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.002	0	0.5
Echinococcus granulosus	ecdysone induced protein 78C	0.0028	0.0101	1
Brugia malayi	steroid hormone receptor	0.0028	0.0101	0.0525
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0028	0.0101	0.0525
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0101	0.0525
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0101	0.0525
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0028	0.0101	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0	0.5
Brugia malayi	ShTK domain containing protein	0.018	0.1921	1
Onchocerca volvulus		0.018	0.1921	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0028	0.0101	0.0525
Mycobacterium ulcerans	DNA polymerase IV	0.002	0	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0028	0.0101	0.0525
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0	0.5
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.018	0.1921	1
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0028	0.0101	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0101	0.0525
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0028	0.0101	0.0525
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0	0.5
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0028	0.0101	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0028	0.0101	0.0101
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0	0.5
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0028	0.0101	1
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0028	0.0101	0.0525
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0028	0.0101	0.0525

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 872067