TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 388.215 | Formula: C17H14BrN3O3
H donors: 3 H acceptors: 3 LogP: 3.35 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Cc1ccc(cc1)O)N/N=C/1\C(=O)Nc2c1c(Br)c(cc2)C
InChi: 1S/C17H14BrN3O3/c1-9-2-7-12-14(15(9)18)16(17(24)19-12)21-20-13(23)8-10-3-5-11(22)6-4-10/h2-7,22H,8H2,1H3,(H,20,23)(H,19,21,24)
InChiKey: BTMPVZAHQSMNQT-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

Species	Target name	Source	Bibliographic reference
Homo sapiens	MET proto-oncogene, receptor tyrosine kinase	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

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0576	0.1452
Echinococcus granulosus	plexin a4	0.0025	0.0253	0.071
Schistosoma mansoni	Lysine-specific histone demethylase 1	0.0045	0.0576	0.1615
Brugia malayi	hypothetical protein	0.0039	0.0481	0.1212
Toxoplasma gondii	histone lysine-specific demethylase LSD1/BHC110/KDMA1A	0.0045	0.0576	1
Echinococcus multilocularis	lysine specific histone demethylase 1A	0.0045	0.0576	0.1615
Schistosoma mansoni	lipoxygenase	0.0233	0.3564	1
Echinococcus multilocularis	ATP binding cassette sub family G	0.001	0.0016	0.0045
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0045	0.0576	0.1615
Echinococcus multilocularis	ATP binding cassette sub family G	0.001	0.0016	0.0045
Giardia lamblia	Low molecular weight protein-tyrosine-phosphatase	0.0259	0.3965	1
Trypanosoma brucei	ABC transporter, putative	0.001	0.0016	0.5
Plasmodium vivax	hypothetical protein, conserved	0.0045	0.0576	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0576	0.1452
Mycobacterium ulcerans	phosphotyrosine protein phosphatase PtpA	0.0259	0.3965	0.3956
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0233	0.3564	1
Schistosoma mansoni	loxhd1	0.0039	0.0481	0.1349
Schistosoma mansoni	ATP-binding cassette sub-family g2 (white protein) (abcg2)	0.001	0.0016	0.0045
Schistosoma mansoni	plexin	0.0012	0.0054	0.0153
Echinococcus granulosus	RUN	0.0039	0.0481	0.1349
Schistosoma mansoni	lipoxygenase	0.0163	0.245	0.6874
Mycobacterium ulcerans	oxidoreductase	0.0045	0.0576	0.056
Schistosoma mansoni	hypothetical protein	0.0039	0.0481	0.1349
Echinococcus multilocularis	protoporphyrinogen oxidase	0.0045	0.0576	0.1615
Onchocerca volvulus		0.0039	0.0481	0.1212
Echinococcus granulosus	Polycystic kidney disease protein	0.0039	0.0481	0.1349
Plasmodium vivax	hypothetical protein, conserved	0.0045	0.0576	1
Brugia malayi	Plexin repeat family protein	0.0021	0.0193	0.0486
Mycobacterium tuberculosis	Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase)	0.0259	0.3965	0.3892
Mycobacterium ulcerans	monoamine oxidase	0.0045	0.0576	0.056
Mycobacterium ulcerans	protoporphyrinogen oxidase	0.0045	0.0576	0.056
Schistosoma mansoni	hypothetical protein	0.0012	0.0054	0.0153
Onchocerca volvulus		0.0045	0.0576	0.1452
Plasmodium vivax	multidomain scavenger receptor, putative	0.0039	0.0481	0.8302
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0259	0.3965	0.5
Plasmodium falciparum	lysine-specific histone demethylase 1, putative	0.0045	0.0576	1
Echinococcus multilocularis		0.0045	0.0576	0.1615
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0054	0.0137
Schistosoma mansoni	plexin	0.0021	0.0193	0.054
Mycobacterium leprae	PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO)	0.0045	0.0576	0.5
Echinococcus multilocularis	RUN	0.0039	0.0481	0.1349
Schistosoma mansoni	amine oxidase	0.0045	0.0576	0.1615
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0259	0.3965	0.5
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0259	0.3965	0.5
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0259	0.3965	0.5
Chlamydia trachomatis	protoporphyrinogen oxidase	0.0045	0.0576	0.5
Plasmodium vivax	lysine-specific histone demethylase 1, putative	0.0045	0.0576	1
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0259	0.3965	1
Mycobacterium tuberculosis	Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO)	0.0594	0.9286	1
Schistosoma mansoni	rab6-interacting	0.0039	0.0481	0.1349
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0259	0.3965	0.5
Echinococcus granulosus	lipoxygenase domain containing protein	0.0039	0.0481	0.1349
Echinococcus multilocularis	plexin a4	0.0025	0.0253	0.071
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0193	0.0486
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0259	0.3965	0.5
Echinococcus granulosus	ATP binding cassette sub family G	0.001	0.0016	0.0045
Echinococcus multilocularis	Polycystic kidney disease protein	0.0039	0.0481	0.1349
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0045	0.0576	0.1615
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0576	0.1452
Plasmodium falciparum	LCCL domain-containing protein	0.0039	0.0481	0.8302
Schistosoma mansoni	rab6-interacting	0.0039	0.0481	0.1349
Echinococcus granulosus	ATP binding cassette sub family G	0.001	0.0016	0.0045
Onchocerca volvulus		0.0259	0.3965	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0576	0.1452
Echinococcus multilocularis	ATP binding cassette sub family G	0.001	0.0016	0.0045
Brugia malayi	hypothetical protein	0.0039	0.0481	0.1212
Leishmania major	UDP-galactopyranose mutase	0.0045	0.0576	1
Echinococcus granulosus	ATP binding cassette sub family G	0.001	0.0016	0.0045
Brugia malayi	Doublecortin family protein	0.0039	0.0481	0.1212
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0045	0.0576	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0576	0.1452
Brugia malayi	plexin A	0.0025	0.0253	0.0638
Onchocerca volvulus		0.0039	0.0481	0.1212
Brugia malayi	hypothetical protein	0.0045	0.0576	0.1452
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0639	1	1
Brugia malayi	amine oxidase, flavin-containing family protein	0.0045	0.0576	0.1452
Onchocerca volvulus		0.0021	0.0193	0.0486
Loa Loa (eye worm)	doublecortin family protein	0.0039	0.0481	0.1212
Plasmodium vivax	protoporphyrinogen oxidase, putative	0.0045	0.0576	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0576	0.1452
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0045	0.0576	1
Mycobacterium ulcerans	dehydrogenase	0.0045	0.0576	0.056
Toxoplasma gondii	histone lysine-specific demethylase	0.0045	0.0576	1
Echinococcus granulosus	lipoxygenase domain containing protein	0.0039	0.0481	0.1349
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0039	0.0481	0.1349
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0259	0.3965	1
Schistosoma mansoni	Protoporphyrinogen oxidase chloroplast/mitochondrial precursor	0.0045	0.0576	0.1615
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0045	0.0576	1
Schistosoma mansoni	polycystin 1-related	0.0039	0.0481	0.1349
Plasmodium falciparum	protoporphyrinogen oxidase	0.0045	0.0576	1
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0233	0.3564	1
Loa Loa (eye worm)	phosphotyrosine protein phosphatase	0.0259	0.3965	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0481	0.1212
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0039	0.0481	0.1349
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0481	0.1212
Schistosoma mansoni	amine oxidase	0.0045	0.0576	0.1615
Trypanosoma brucei	ATP-binding cassette protein, putative	0.001	0.0016	0.5
Brugia malayi	SWIRM domain containing protein	0.0045	0.0576	0.1452
Loa Loa (eye worm)	plexin A	0.0025	0.0253	0.0638
Brugia malayi	Low molecular weight phosphotyrosine protein phosphatase containing protein	0.0259	0.3965	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 23 nM	Inhibition of human c-MET	ChEMBL.	21641696

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: CHEMBL1823251

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 1035034