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

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