TDR Targets

Basic information

Technical information

TDR Targets ID: 873053
Name: 4-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazep in-6-yl)-N-(3-ethoxypropyl)butanamide
MW: 417.886 | Formula: C21H24ClN3O4
H donors: 1 H acceptors: 3 LogP: 2.62 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: CCOCCCNC(=O)CCCN1c2cc(Cl)ccc2Oc2c(C1=O)cccn2
InChi: 1S/C21H24ClN3O4/c1-2-28-13-5-11-23-19(26)7-4-12-25-17-14-15(22)8-9-18(17)29-20-16(21(25)27)6-3-10-24-20/h3,6,8-10,14H,2,4-5,7,11-13H2,1H3,(H,23,26)
InChiKey: PDMZDLOEEGRQSV-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

4-(8-chloro-5-oxo-pyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-(3-ethoxypropyl)butanamide
4-(8-chloro-5-oxo-6-pyrido[2,3-b][1,5]benzoxazepinyl)-N-(3-ethoxypropyl)butanamide
4-(8-chloro-5-keto-pyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-(3-ethoxypropyl)butyramide

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
Echinococcus multilocularis	lipoxygenase domain containing protein	0.004	0.0779	0.0779
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0193	0.2473
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0023	0	0.5
Trypanosoma brucei	ATP-binding cassette protein, putative	0.003	0.0297	0.0766
Onchocerca volvulus		0.004	0.0779	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0023	0	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0	0.5
Brugia malayi	Animal haem peroxidase family protein	0.0027	0.0193	0.2473
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0193	0.2473
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0	0.5
Trypanosoma cruzi	ABC transporter, putative	0.003	0.0297	1
Brugia malayi	ABC transporter family protein	0.0025	0.0088	0.1136
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0193	0.2473
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0	0.5
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.003	0.0297	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0023	0	0.5
Schistosoma mansoni	ATP-binding cassette sub-family g2 (white protein) (abcg2)	0.003	0.0297	0.0297
Echinococcus multilocularis	ATP binding cassette sub family G	0.003	0.0297	0.0297
Loa Loa (eye worm)	animal heme peroxidase	0.0027	0.0193	0.2473
Giardia lamblia	ABC transporter	0.0029	0.0281	0.5
Echinococcus multilocularis	Polycystic kidney disease protein	0.004	0.0779	0.0779
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0	0.5
Brugia malayi	hypothetical protein	0.0027	0.0193	0.2473
Schistosoma mansoni	lipoxygenase	0.024	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0023	0	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0023	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0193	0.2473
Brugia malayi	hypothetical protein	0.004	0.0779	1
Echinococcus multilocularis	ATP binding cassette sub family G	0.003	0.0297	0.0297
Mycobacterium tuberculosis	Probable conserved transmembrane ATP-binding protein ABC transporter	0.0025	0.0072	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0	0.5
Brugia malayi	Animal haem peroxidase family protein	0.0027	0.0193	0.2473
Onchocerca volvulus	Dual oxidase homolog	0.0027	0.0193	0.2473
Echinococcus multilocularis	peroxidasin	0.0027	0.0193	0.0193
Plasmodium falciparum	ABC transporter G family member 2	0.003	0.0297	0.0319
Onchocerca volvulus	Peroxidasin homolog	0.0027	0.0193	0.2473
Schistosoma mansoni	peroxidasin	0.0027	0.0193	0.0193
Schistosoma mansoni	ABC transporter	0.0025	0.0088	0.0088
Brugia malayi	Animal haem peroxidase family protein	0.0027	0.0193	0.2473
Entamoeba histolytica	ABC transporter, putative	0.003	0.0297	1
Plasmodium vivax	ABC transporter G family member 2, putative	0.003	0.0297	0.0319
Plasmodium vivax	vivapain-1	0.0224	0.9284	1
Schistosoma mansoni	hypothetical protein	0.004	0.0779	0.0779
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0	0.5
Echinococcus multilocularis	ATP binding cassette sub family G	0.003	0.0297	0.0297
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0023	0	0.5
Onchocerca volvulus		0.004	0.0779	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0	0.5
Schistosoma mansoni	hypothetical protein	0.0107	0.3869	0.3869
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0	0.5
Brugia malayi	Animal haem peroxidase family protein	0.0027	0.0193	0.2473
Onchocerca volvulus		0.0027	0.0193	0.2473
Loa Loa (eye worm)	blistered cuticle protein 3	0.0027	0.0193	0.2473
Loa Loa (eye worm)	animal heme peroxidase	0.0027	0.0193	0.2473
Echinococcus granulosus	lipoxygenase domain containing protein	0.004	0.0779	0.0779
Onchocerca volvulus		0.0027	0.0193	0.2473
Brugia malayi	Doublecortin family protein	0.004	0.0779	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0023	0	0.5
Schistosoma mansoni	loxhd1	0.004	0.0779	0.0779
Trypanosoma cruzi	ATP-binding cassette protein, putative	0.003	0.0297	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0	0.5
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.003	0.0297	0.5
Loa Loa (eye worm)	hypothetical protein	0.004	0.0779	1
Leishmania major	ATP-binding cassette protein subfamily G, member 4, putative	0.003	0.0297	1
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0224	0.9284	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0023	0	0.5
Echinococcus granulosus	ATP binding cassette sub family G	0.003	0.0297	0.0297
Plasmodium vivax	multidomain scavenger receptor, putative	0.004	0.0779	0.0839
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0	0.5
Echinococcus granulosus	peroxidasin	0.0027	0.0193	0.0193
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0193	0.2473
Loa Loa (eye worm)	animal heme peroxidase	0.0027	0.0193	0.2473
Echinococcus granulosus	ATP binding cassette sub family G	0.003	0.0297	0.0297
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0193	0.2473
Echinococcus granulosus	Polycystic kidney disease protein	0.004	0.0779	0.0779
Schistosoma mansoni	polycystin 1-related	0.004	0.0779	0.0779
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0023	0	0.5
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.003	0.0297	0.5
Schistosoma mansoni	peroxidasin	0.0027	0.0193	0.0193
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0023	0	0.5
Echinococcus granulosus	lipoxygenase domain containing protein	0.004	0.0779	0.0779
Plasmodium vivax	unspecified product	0.0224	0.9284	1
Trypanosoma brucei	RNA helicase, putative	0.0107	0.3869	1
Onchocerca volvulus	Peroxidase homolog	0.0027	0.0193	0.2473
Onchocerca volvulus	Peroxidase homolog	0.0027	0.0193	0.2473
Onchocerca volvulus	Chorion peroxidase homolog	0.0027	0.0193	0.2473
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0193	0.2473
Onchocerca volvulus	Peroxidasin homolog	0.0027	0.0193	0.2473
Schistosoma mansoni	hypothetical protein	0.0025	0.0072	0.0072
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0023	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0193	0.2473
Leishmania major	ATP-binding cassette protein subfamily G, member 6, putative	0.003	0.0297	1
Schistosoma mansoni	rab6-interacting	0.004	0.0779	0.0779
Plasmodium falciparum	LCCL domain-containing protein	0.004	0.0779	0.0839
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0193	0.2473
Schistosoma mansoni	lipoxygenase	0.0167	0.6668	0.6668
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0	0.5
Echinococcus multilocularis	lipoxygenase domain containing protein	0.004	0.0779	0.0779
Loa Loa (eye worm)	animal heme peroxidase	0.0027	0.0193	0.2473
Schistosoma mansoni	rab6-interacting	0.004	0.0779	0.0779
Echinococcus granulosus	RUN	0.004	0.0779	0.0779
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0193	0.2473
Trypanosoma brucei	ABC transporter, putative	0.003	0.0297	0.0766
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0193	0.2473
Onchocerca volvulus		0.0027	0.0193	0.2473
Plasmodium vivax	unspecified product	0.0209	0.8596	0.9259
Toxoplasma gondii	ATP-binding cassette G family transporter ABCG84	0.003	0.0297	1
Brugia malayi	Peroxidasin	0.0027	0.0193	0.2473
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.024	1	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0193	0.2473
Echinococcus multilocularis	RUN	0.004	0.0779	0.0779
Loa Loa (eye worm)	doublecortin family protein	0.004	0.0779	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0193	0.2473
Brugia malayi	Blistered cuticle protein 3	0.0027	0.0193	0.2473
Loa Loa (eye worm)	ABC transporter	0.0025	0.0088	0.1136
Echinococcus granulosus	ATP binding cassette sub family G	0.003	0.0297	0.0297
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0193	0.2473
Brugia malayi	hypothetical protein	0.004	0.0779	1
Brugia malayi	Animal haem peroxidase family protein	0.0027	0.0193	0.2473
Loa Loa (eye worm)	hypothetical protein	0.004	0.0779	1

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 873053