TDR Targets

Basic information

Technical information

TDR Targets ID: 789527
Name: 7-fluoro-5-(4-fluorophenyl)-4-(2-methoxybenzo yl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
MW: 408.397 | Formula: C23H18F2N2O3
H donors: 1 H acceptors: 2 LogP: 3.72 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccccc1C(=O)N1CC(=O)Nc2c(C1c1ccc(cc1)F)cc(F)cc2
InChi: 1S/C23H18F2N2O3/c1-30-20-5-3-2-4-17(20)23(29)27-13-21(28)26-19-11-10-16(25)12-18(19)22(27)14-6-8-15(24)9-7-14/h2-12,22H,13H2,1H3,(H,26,28)
InChiKey: GVRDXYBQLWIRDF-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

7-fluoro-5-(4-fluorophenyl)-4-[(2-methoxyphenyl)-oxomethyl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one
7-fluoro-5-(4-fluorophenyl)-4-(2-methoxyphenyl)carbonyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
Oprea1_532188

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
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.3345	0.258
Onchocerca volvulus	Protein lethal(2)essential for life homolog	0.0038	0.0651	0.0482
Echinococcus multilocularis	caspase 3	0.0144	0.5819	0.5935
Brugia malayi	small heat shock protein - nematode	0.0038	0.0651	0.0754
Trypanosoma cruzi	metacaspase, putative	0.0079	0.2625	0.7848
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0079	0.2625	0.1778
Giardia lamblia	Kinase, PLK	0.0093	0.3345	0.5
Onchocerca volvulus		0.0038	0.0651	0.0482
Loa Loa (eye worm)	small heat shock protein	0.0038	0.0651	0.0754
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0093	0.3345	0.3874
Echinococcus granulosus	caspase	0.0222	0.9683	1
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0079	0.2625	0.1778
Trypanosoma brucei	metacaspase MCA2	0.0079	0.2625	0.7848
Onchocerca volvulus		0.0038	0.0651	0.0482
Plasmodium falciparum	metacaspase-like protein	0.0079	0.2625	1
Toxoplasma gondii	ICE family protease (caspase) p20 domain-containing protein	0.0079	0.2625	1
Brugia malayi	Hsp20/alpha crystallin family protein	0.0038	0.0651	0.0754
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0079	0.2625	0.1778
Echinococcus granulosus	caspase 3 apoptosis cysteine peptidase	0.0222	0.9683	1
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0079	0.2625	0.1778
Trypanosoma brucei	metacaspase MCA3	0.0079	0.2625	0.7848
Schistosoma mansoni	caspase-3 (C14 family)	0.0222	0.9683	1
Brugia malayi	serine/threonine-protein kinase plk-2	0.0093	0.3345	0.3874
Plasmodium vivax	metacaspase 1, putative	0.0079	0.2625	1
Trypanosoma cruzi	polo-like protein kinase, putative	0.0093	0.3345	1
Trichomonas vaginalis	conserved hypothetical protein	0.0079	0.2625	0.1778
Echinococcus multilocularis	caspase 8	0.0079	0.2625	0.2575
Brugia malayi	Hsp20/alpha crystallin family protein	0.0038	0.0651	0.0754
Brugia malayi	Hsp20/alpha crystallin family protein	0.0038	0.0651	0.0754
Loa Loa (eye worm)	small heat shock protein	0.0038	0.0651	0.0754
Loa Loa (eye worm)	small heat shock protein	0.0038	0.0651	0.0754
Brugia malayi	Pre-SET motif family protein	0.0029	0.0178	0.0206
Trypanosoma cruzi	metacaspase, putative	0.0079	0.2625	0.7848
Loa Loa (eye worm)	hypothetical protein	0.0079	0.2625	0.304
Schistosoma mansoni	serine/threonine protein kinase	0.0093	0.3345	0.3332
Trichomonas vaginalis	conserved hypothetical protein	0.0079	0.2625	0.1778
Schistosoma mansoni	caspase-7 (C14 family)	0.0222	0.9683	1
Echinococcus multilocularis	caspase 2	0.0079	0.2625	0.2575
Toxoplasma gondii	ICE family protease (caspase) p20 domain-containing protein	0.0079	0.2625	1
Trypanosoma cruzi	polo-like protein kinase, putative	0.0093	0.3345	1
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.3345	0.258
Trypanosoma cruzi	metacaspase, putative	0.0079	0.2625	0.7848
Onchocerca volvulus	Cell death protein 3 homolog	0.0079	0.2625	0.2492
Schistosoma mansoni	kinase	0.0047	0.1091	0.0961
Onchocerca volvulus	Protein lethal(2)essential for life homolog	0.0038	0.0651	0.0482
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0029	0.0178	0.0679
Trypanosoma brucei	metacaspase	0.0079	0.2625	0.7848
Plasmodium vivax	SET domain protein, putative	0.0029	0.0178	0.0679
Trypanosoma cruzi	metacaspase 5, putative	0.0079	0.2625	0.7848
Echinococcus multilocularis	caspase	0.0222	0.9683	1
Trichomonas vaginalis	set domain proteins, putative	0.0229	1	1
Trypanosoma cruzi	metacaspase 5, putative	0.0079	0.2625	0.7848
Onchocerca volvulus	Protein lethal(2)essential for life homolog	0.0038	0.0651	0.0482
Brugia malayi	Cell death protein 3 precursor	0.0079	0.2625	0.304
Onchocerca volvulus		0.0038	0.0651	0.0482
Echinococcus granulosus	caspase 2	0.0079	0.2625	0.2615
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.3345	0.258
Onchocerca volvulus		0.0038	0.0651	0.0482
Schistosoma mansoni	caspase-7 (C14 family)	0.0079	0.2625	0.2575
Trichomonas vaginalis	conserved hypothetical protein	0.0079	0.2625	0.1778
Toxoplasma gondii	ICE family protease (caspase) p20 domain-containing protein	0.0079	0.2625	1
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0093	0.3345	0.3225
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.3345	0.258
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0079	0.2625	0.1778
Trichomonas vaginalis	conserved hypothetical protein	0.0079	0.2625	0.1778
Plasmodium falciparum	metacaspase 1	0.0079	0.2625	1
Trypanosoma brucei	metacaspase 5, putative	0.0079	0.2625	0.7848
Echinococcus granulosus	histone lysine methyltransferase setb	0.0029	0.0178	0.0055
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0079	0.2625	0.1778
Trypanosoma brucei	Metacaspase-4	0.0079	0.2625	0.7848
Echinococcus granulosus	caspase 3	0.0144	0.5819	0.5957
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.3345	0.258
Echinococcus multilocularis	caspase 3, apoptosis cysteine peptidase	0.0222	0.9683	1
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.3345	0.258
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0093	0.3345	1
Trichomonas vaginalis	conserved hypothetical protein	0.0079	0.2625	0.1778
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0178	0.0206
Plasmodium vivax	hypothetical protein, conserved	0.0079	0.2625	1
Trichomonas vaginalis	conserved hypothetical protein	0.0079	0.2625	0.1778
Brugia malayi	Pre-SET motif family protein	0.0201	0.8636	1
Loa Loa (eye worm)	hypothetical protein	0.0079	0.2625	0.304
Brugia malayi	small heat shock protein 12.6, identical	0.0038	0.0651	0.0754
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0079	0.2625	0.1778
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0093	0.3345	0.5
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0079	0.2625	0.1778
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0651	0.0754
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0093	0.3345	0.3369
Brugia malayi	mucosa associated lymphoid tissue lymphoma translocation protein 1	0.0079	0.2625	0.304
Onchocerca volvulus	Protein lethal(2)essential for life homolog	0.0038	0.0651	0.0482
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0093	0.3345	0.3332
Trypanosoma brucei	polo-like protein kinase	0.0093	0.3345	1
Brugia malayi	Hsp20/alpha crystallin family protein	0.0038	0.0651	0.0754
Leishmania major	metacaspase, putative	0.0079	0.2625	0.7848
Trypanosoma cruzi	metacaspase, putative	0.0079	0.2625	0.7848
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.3345	0.258
Brugia malayi	Small heat shock protein OV25-1	0.0038	0.0651	0.0754
Echinococcus granulosus	caspase 8	0.0079	0.2625	0.2615
Loa Loa (eye worm)	small heat shock protein	0.0038	0.0651	0.0754
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0201	0.8636	1
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0079	0.2625	0.1778
Schistosoma mansoni	subfamily C14A unassigned peptidase (C14 family)	0.0079	0.2625	0.2575

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.

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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 789527