TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 362.221 | Formula: C16H16BrN3O2
H donors: 3 H acceptors: 2 LogP: 3.58 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(CNc1cccc(c1)C)N/N=C/c1ccc(c(c1)Br)O
InChi: 1S/C16H16BrN3O2/c1-11-3-2-4-13(7-11)18-10-16(22)20-19-9-12-5-6-15(21)14(17)8-12/h2-9,18,21H,10H2,1H3,(H,20,22)/b19-9+
InChiKey: FHYWYZSXUAUDFJ-DJKKODMXSA-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

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
Brugia malayi	RNA binding protein	0.0062	0.3834	0.3834
Loa Loa (eye worm)	RNA binding protein	0.0062	0.3834	0.3834
Echinococcus granulosus	Protein patched homolog 1	0.0042	0.2322	0.2322
Echinococcus granulosus	Niemann Pick C1 protein	0.0097	0.635	0.635
Trypanosoma cruzi	FHA domain containing protein, putative	0.001	0	0.5
Brugia malayi	hypothetical protein	0.0035	0.1873	0.1873
Brugia malayi	steroid hormone receptor	0.001	0.0019	0.0019
Plasmodium vivax	replication factor C subunit 1, putative	0.001	0	0.5
Echinococcus granulosus	expressed conserved protein	0.0091	0.5922	0.5922
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0019	0.0029
Brugia malayi	nuclear receptor NHR-88	0.001	0.0019	0.0019
Treponema pallidum	DNA ligase (lig)	0.001	0	0.5
Mycobacterium ulcerans	NAD-dependent DNA ligase LigA	0.001	0	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.3834	0.5936
Plasmodium falciparum	replication factor C subunit 1, putative	0.001	0	0.5
Trypanosoma brucei	BRCA1 C Terminus (BRCT) domain containing protein, putative	0.001	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0147	1	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0019	0.0019
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.1873	0.2899
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.001	0.0019	0.0029
Loa Loa (eye worm)	hypothetical protein	0.0147	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0019	0.0019
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.001	0.0019	0.0019
Schistosoma mansoni	steroid hormone receptor ad4bp	0.001	0.0019	0.0029
Echinococcus multilocularis	muscleblind protein 1	0.0147	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.001	0.0019	0.0019
Mycobacterium leprae	PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+])	0.001	0	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.001	0	0.5
Echinococcus multilocularis	expressed conserved protein	0.0091	0.5922	0.5922
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.001	0.0019	0.0019
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.001	0.0019	0.0029
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.1873	0.1873
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0019	0.0019
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.001	0.0019	0.0019
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0019	0.0019
Loa Loa (eye worm)	hypothetical protein	0.001	0.0019	0.0019
Loa Loa (eye worm)	hypothetical protein	0.0042	0.2322	0.2322
Entamoeba histolytica	heat shock transcription factor, putative	0.0097	0.6344	0.999
Echinococcus multilocularis	Niemann Pick C1 protein	0.0097	0.635	0.635
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.001	0.0019	0.0019
Schistosoma mansoni	hypothetical protein	0.004	0.2213	0.3426
Schistosoma mansoni	coup transcription factor	0.001	0.0019	0.0029
Loa Loa (eye worm)	hypothetical protein	0.001	0.0019	0.0019
Schistosoma mansoni	hypothetical protein	0.0035	0.1873	0.2899
Brugia malayi	HSF-type DNA-binding domain containing protein	0.0097	0.6344	0.6344
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0019	0.0019
Echinococcus granulosus	muscleblind protein	0.0147	1	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0019	0.0019
Echinococcus granulosus	tar DNA binding protein	0.0062	0.3834	0.3834
Loa Loa (eye worm)	steroid hormone receptor	0.001	0.0019	0.0019
Schistosoma mansoni	nuclear hormone receptor	0.001	0.0019	0.0029
Echinococcus multilocularis	thyroid hormone receptor alpha	0.001	0.0019	0.0019
Loa Loa (eye worm)	hypothetical protein	0.0051	0.3004	0.3004
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0019	0.0019
Loa Loa (eye worm)	hypothetical protein	0.001	0.0019	0.0019
Trypanosoma cruzi	BRCA1 C Terminus (BRCT) domain containing protein, putative	0.001	0	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.001	0.0019	0.0019
Toxoplasma gondii	poly(ADP-ribose) polymerase catalytic domain-containing protein	0.001	0	0.5
Onchocerca volvulus	Heat shock factor protein 2 homolog	0.0097	0.6344	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.001	0.0019	0.0019
Chlamydia trachomatis	DNA ligase	0.001	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0097	0.635	0.635
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.001	0.0019	0.003
Brugia malayi	Niemann-Pick C1 protein precursor	0.0097	0.635	0.635
Echinococcus granulosus	ecdysone induced protein 78C	0.001	0.0019	0.0019
Schistosoma mansoni	hypothetical protein	0.004	0.2213	0.3426
Echinococcus multilocularis	FTZ F1 alpha	0.001	0.0019	0.0019
Brugia malayi	ecdysteroid receptor	0.001	0.0019	0.0019
Onchocerca volvulus		0.001	0.0019	0.003
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.001	0.0019	0.0019
Echinococcus multilocularis	tar DNA binding protein	0.0062	0.3834	0.3834
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.3834	0.5936
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0097	0.635	1
Brugia malayi	Steroid receptor seven-up type 2	0.001	0.0019	0.0019
Loa Loa (eye worm)	hypothetical protein	0.001	0.0019	0.0019
Entamoeba histolytica	hypothetical protein	0.0035	0.1873	0.2949
Loa Loa (eye worm)	hypothetical protein	0.001	0.0019	0.0019
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.001	0.0019	0.0029
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.001	0.0019	0.0019
Entamoeba histolytica	heat shock transcription factor, putative	0.0097	0.6344	0.999
Brugia malayi	photoreceptor-specific nuclear receptor	0.001	0.0019	0.0019
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0019	0.0019
Loa Loa (eye worm)	TAR-binding protein	0.0062	0.3834	0.3834
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0019	0.0029
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0042	0.2322	0.2322
Echinococcus multilocularis	ecdysone induced protein 78C	0.001	0.0019	0.0019
Echinococcus granulosus	Niemann Pick C1 protein	0.0139	0.9378	0.9378
Entamoeba histolytica	hypothetical protein	0.0035	0.1873	0.2949
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.3834	0.5936
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.001	0.0019	0.0019
Onchocerca volvulus	Protein ultraspiracle homolog	0.001	0.0019	0.003
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.3834	0.5936
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.001	0.0019	0.0019
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.001	0.0019	0.0029
Echinococcus multilocularis	Niemann Pick C1 protein	0.0139	0.9378	0.9378
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0019	0.0019
Schistosoma mansoni	patched 1	0.0042	0.2322	0.3595
Trichomonas vaginalis	conserved hypothetical protein	0.0042	0.2322	1
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.001	0.0019	0.0019
Trypanosoma cruzi	hypothetical protein, conserved	0.001	0	0.5
Schistosoma mansoni	retinoic acid receptor RXR	0.001	0.0019	0.0029
Echinococcus granulosus	sterol regulatory element binding protein	0.0042	0.2322	0.2322
Wolbachia endosymbiont of Brugia malayi	NAD-dependent DNA ligase, Lig	0.001	0	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.001	0.0019	0.0019
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.001	0.0019	0.0029
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.001	0.0019	0.0019
Brugia malayi	Nuclear hormone receptor-like 1	0.001	0.0019	0.0019
Entamoeba histolytica	hypothetical protein	0.0035	0.1873	0.2949
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0062	0.3834	0.3834
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.001	0.0019	0.0019
Giardia lamblia	Replication factor C, subunit 1	0.001	0	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.001	0.0019	0.0019
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.3834	0.5936
Brugia malayi	nuclear hormone receptor	0.001	0.0019	0.0019
Echinococcus granulosus	FTZ F1 alpha	0.001	0.0019	0.0019
Loa Loa (eye worm)	hypothetical protein	0.001	0.0019	0.0019
Toxoplasma gondii	ATPase, AAA family protein	0.001	0	0.5
Schistosoma mansoni	hypothetical protein	0.004	0.2213	0.3426
Loa Loa (eye worm)	hypothetical protein	0.001	0.0019	0.0019
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0019	0.0019
Echinococcus multilocularis	sterol regulatory element binding protein	0.0042	0.2322	0.2322
Entamoeba histolytica	heat shock transcription factor, putative	0.0097	0.6344	0.999
Schistosoma mansoni	RAR-like nuclear receptor	0.001	0.0019	0.0029
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.1873	0.1873
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.001	0.0019	0.0019
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.001	0.0019	0.0019
Brugia malayi	TAR-binding protein	0.0062	0.3834	0.3834
Brugia malayi	RNA recognition motif domain containing protein	0.0062	0.3834	0.3834
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.001	0.0019	0.0019
Onchocerca volvulus	Bile acid receptor homolog	0.001	0.0019	0.003
Echinococcus multilocularis	protein patched	0.0042	0.2322	0.2322
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0098	0.6459	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.001	0.0019	0.0019
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.001	0.0019	0.0019
Echinococcus multilocularis	muscleblind protein	0.0147	1	1
Brugia malayi	CHE-14 protein	0.0042	0.2322	0.2322
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.001	0.0019	0.0019
Schistosoma mansoni	hypothetical protein	0.004	0.2213	0.3426
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.001	0.0019	0.0019
Entamoeba histolytica	hypothetical protein	0.0035	0.1873	0.2949
Loa Loa (eye worm)	hypothetical protein	0.0097	0.6344	0.6344
Echinococcus multilocularis	protein dispatched 1	0.0047	0.275	0.275
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.001	0.0019	0.0029
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0019	0.0019

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

Search by Saint Jude

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 784605