TDR Targets

Basic information

Technical information

TDR Targets ID: 1495113
Name: 3-amino-2-bromo-5H-phenanthridin-6-one
MW: 289.127 | Formula: C13H9BrN2O
H donors: 2 H acceptors: 2 LogP: 3.43 Rotable bonds: 0
Rule of 5 violations (Lipinski): 1
SMILES: Nc1cc2nc(O)c3c(c2cc1Br)cccc3
InChi: 1S/C13H9BrN2O/c14-10-5-9-7-3-1-2-4-8(7)13(17)16-12(9)6-11(10)15/h1-6H,15H2,(H,16,17)
InChiKey: PSGYSVDCQVWQOO-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

NSC113298

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	SMAD family member 2	Starlite/ChEMBL	No references
Homo sapiens	nuclear factor, erythroid 2-like 2	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	transcription factor SMAD2	Get druggable targets OG5_131716	All targets in OG5_131716
Loa Loa (eye worm)	MH2 domain-containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Brugia malayi	MH2 domain containing protein	Get druggable targets OG5_131716	All targets in OG5_131716

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	MH2 domain containing protein	SMAD family member 2	467 aa	405 aa	31.6 %
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	lysine specific histone demethylase 1A	0.0269	0.1137	0.1127
Loa Loa (eye worm)	hypothetical protein	0.006	0.0095	0.0838
Brugia malayi	hypothetical protein	0.0269	0.1137	1
Schistosoma mansoni	transcription factor LCR-F1	0.0043	0.0011	0.0011
Schistosoma mansoni	hypothetical protein	0.0043	0.0011	0.0011
Toxoplasma gondii	histone lysine-specific demethylase	0.0269	0.1137	0.5
Brugia malayi	SWIRM domain containing protein	0.0269	0.1137	1
Loa Loa (eye worm)	hypothetical protein	0.0269	0.1137	1
Schistosoma mansoni	amine oxidase	0.0269	0.1137	0.1137
Loa Loa (eye worm)	hypothetical protein	0.0269	0.1137	1
Onchocerca volvulus		0.0269	0.1137	0.5
Leishmania major	UDP-galactopyranose mutase	0.0269	0.1137	0.5
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0269	0.1137	0.5
Loa Loa (eye worm)	hypothetical protein	0.0269	0.1137	1
Plasmodium vivax	lysine-specific histone demethylase 1, putative	0.0269	0.1137	0.5
Plasmodium vivax	hypothetical protein, conserved	0.0269	0.1137	0.5
Entamoeba histolytica	hypothetical protein	0.0043	0.0011	0.5
Plasmodium vivax	protoporphyrinogen oxidase, putative	0.0269	0.1137	0.5
Mycobacterium leprae	PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO)	0.2041	1	0.5
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0269	0.1137	0.1302
Echinococcus granulosus	protoporphyrinogen oxidase	0.1772	0.8657	1
Mycobacterium ulcerans	protoporphyrinogen oxidase	0.2041	1	1
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0269	0.1137	0.1302
Loa Loa (eye worm)	hypothetical protein	0.0269	0.1137	1
Loa Loa (eye worm)	hypothetical protein	0.0269	0.1137	1
Loa Loa (eye worm)	hypothetical protein	0.0269	0.1137	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0095	0.0838
Brugia malayi	amine oxidase, flavin-containing family protein	0.0269	0.1137	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.0515	0.453
Mycobacterium tuberculosis	Probable protoporphyrinogen oxidase HemY (protoporphyrinogen-IX oxidase) (protoporphyrinogenase) (PPO)	0.1772	0.8657	1
Entamoeba histolytica	hypothetical protein	0.0043	0.0011	0.5
Schistosoma mansoni	Lysine-specific histone demethylase 1	0.0269	0.1137	0.1137
Plasmodium falciparum	protoporphyrinogen oxidase	0.0269	0.1137	0.5
Entamoeba histolytica	hypothetical protein	0.0043	0.0011	0.5
Brugia malayi	MH2 domain containing protein	0.0144	0.0515	0.453
Echinococcus multilocularis		0.0269	0.1137	0.1127
Entamoeba histolytica	hypothetical protein	0.0043	0.0011	0.5
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.0515	0.453
Echinococcus multilocularis	protoporphyrinogen oxidase	0.2041	1	1
Toxoplasma gondii	histone lysine-specific demethylase LSD1/BHC110/KDMA1A	0.0269	0.1137	0.5
Plasmodium falciparum	lysine-specific histone demethylase 1, putative	0.0269	0.1137	0.5
Plasmodium vivax	hypothetical protein, conserved	0.0269	0.1137	0.5
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0095	0.0838
Schistosoma mansoni	Protoporphyrinogen oxidase chloroplast/mitochondrial precursor	0.2041	1	1
Brugia malayi	hypothetical protein	0.0043	0.0011	0.0101
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0095	0.0838
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0269	0.1137	0.5
Schistosoma mansoni	amine oxidase	0.0269	0.1137	0.1137
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0269	0.1137	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.3162 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (functional)	0.5174 uM	PubChem BioAssay. qHTS for Inhibitors of TGF-b: Hit Validation in HepG2 Cells using COP promoter. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	7.3078 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)	7.3078 uM	PubChem BioAssay. qHTS for Inhibitors of TGF-b: Confirmation of Cherry Picks. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	11.2202 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	11.2202 uM	PubChem BioAssay. qHTS of Nrf2 Activators. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	31.6228 uM	PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference

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: CHEMBL1717811

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 1495113