TDR Targets

Basic information

Technical information

TDR Targets ID: 559751
Name: 1-[3-(8-chlorobenzo[b][1]benzazepin-11-yl)pro pyl]-4-(dimethylamino)piperidine-4-carboxamid e
MW: 438.993 | Formula: C25H31ClN4O
H donors: 1 H acceptors: 1 LogP: 4.45 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc2c(c1)C=Cc1c(N2CCCN2CCC(CC2)(N(C)C)C(=O)N)cccc1
InChi: 1S/C25H31ClN4O/c1-28(2)25(24(27)31)12-16-29(17-13-25)14-5-15-30-22-7-4-3-6-19(22)8-9-20-18-21(26)10-11-23(20)30/h3-4,6-11,18H,5,12-17H2,1-2H3,(H2,27,31)
InChiKey: ZNISZLHVWJQLNH-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

1-[3-(8-chloro-11-benzo[b][1]benzazepinyl)propyl]-4-(dimethylamino)-4-piperidinecarboxamide
1-[3-(8-chlorobenzo[b][1]benzazepin-11-yl)propyl]-4-(dimethylamino)isonipecotamide
1-[3-(8-chlorobenzo[b][1]benzazepin-11-yl)propyl]-4-dimethylaminopiperidine-4-carboxamide
1-[3-(8-chlorobenzo[b][1]benzazepin-11-yl)propyl]-4-dimethylamino-piperidine-4-carboxamide
1-[3-(8-chloro-11-benzo[b][1]benzazepinyl)propyl]-4-dimethylamino-4-piperidinecarboxamide
1-[3-(8-chlorobenzo[b][1]benzazepin-11-yl)propyl]-4-dimethylamino-isonipecotamide

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	DNA polymerase eta, putative	0.0023	0.675	0.675
Brugia malayi	ImpB/MucB/SamB family protein	0.0023	0.675	0.675
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0019	0.5064	0.5064
Trypanosoma cruzi	DNA damage repair protein, putative	0.0007	0.0336	0.0336
Brugia malayi	isocitrate dehydrogenase	0.0019	0.5064	0.5064
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0023	0.675	0.675
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0023	0.675	0.675
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0023	0.675	0.675
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.675	0.675
Echinococcus multilocularis	dna polymerase kappa	0.0023	0.675	0.675
Trypanosoma cruzi	DNA polymerase eta, putative	0.0007	0.0336	0.0336
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.675	0.675
Toxoplasma gondii	isocitrate dehydrogenase	0.0019	0.5064	0.5064
Trypanosoma brucei	unspecified product	0.0016	0.3864	0.3864
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0007	0.0336	0.0336
Echinococcus multilocularis	flap endonuclease 1	0.0031	1	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0007	0.0336	0.0336
Loa Loa (eye worm)	hypothetical protein	0.0023	0.675	0.675
Plasmodium vivax	flap endonuclease 1, putative	0.0031	1	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.675	0.675
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0023	0.675	1
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0336	0.0336
Entamoeba histolytica	Flap nuclease, putative	0.0031	1	1
Echinococcus multilocularis	dna polymerase eta	0.0023	0.675	0.675
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0019	0.5064	0.5064
Trypanosoma brucei	hypothetical protein, conserved	0.0007	0.0336	0.0336
Trypanosoma cruzi	DNA polymerase eta, putative	0.0023	0.675	0.675
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0019	0.5064	0.5064
Trypanosoma brucei	DNA polymerase IV, putative	0.0023	0.675	0.675
Trichomonas vaginalis	flap endonuclease-1, putative	0.0031	1	1
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0019	0.5064	0.5064
Giardia lamblia	DINP protein human, muc B family	0.0023	0.675	0.675
Brugia malayi	polk-prov protein	0.0007	0.0336	0.0336
Trypanosoma brucei	DNA damage repair protein, putative	0.0007	0.0336	0.0336
Trypanosoma brucei	DNA polymerase kappa, putative	0.0016	0.3864	0.3864
Echinococcus granulosus	dna polymerase eta	0.0023	0.675	0.675
Loa Loa (eye worm)	flap endonuclease-1	0.0031	1	1
Schistosoma mansoni	flap endonuclease-1	0.0028	0.8794	1
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0019	0.5064	0.5064
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.675	0.675
Echinococcus granulosus	flap endonuclease 1	0.0031	1	1
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0023	0.675	0.675
Echinococcus multilocularis	isocitrate dehydrogenase	0.0019	0.5064	0.5064
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0023	0.675	0.7676
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.675	0.675
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.675	0.675
Brugia malayi	Isocitrate dehydrogenase	0.0019	0.5064	0.5064
Trypanosoma brucei	unspecified product	0.0016	0.3864	0.3864
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.675	0.675
Trypanosoma brucei	DNA polymerase eta, putative	0.0023	0.675	0.675
Toxoplasma gondii	flap structure-specific endonuclease 1, putative	0.0031	1	1
Giardia lamblia	DNA damage repair protein	0.0007	0.0336	0.0336
Echinococcus granulosus	dna polymerase kappa	0.0023	0.675	0.675
Toxoplasma gondii	BRCA1 C Terminus (BRCT) domain-containing protein	0.0007	0.0336	0.0336
Plasmodium falciparum	DNA repair protein REV1, putative	0.0007	0.0336	0.0336
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0019	0.5064	0.5064
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0023	0.675	0.675
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0019	0.5064	0.5064
Trypanosoma brucei	DNA polymerase IV, putative	0.0023	0.675	0.675
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.675	0.675
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0019	0.5064	0.5064
Mycobacterium ulcerans	DNA polymerase IV	0.0023	0.675	1
Giardia lamblia	Flap structure-specific endonuclease	0.0031	1	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0016	0.3864	0.3864
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0019	0.5064	0.5064
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0023	0.675	0.7676
Trypanosoma brucei	chrX additional, unordered contigs	0.0007	0.0336	0.0336
Schistosoma mansoni	DNA polymerase IV / kappa	0.0007	0.0336	0.0382
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.675	0.675
Trypanosoma cruzi	hypothetical protein, conserved	0.0007	0.0336	0.0336
Toxoplasma gondii	isocitrate dehydrogenase	0.0019	0.5064	0.5064
Trypanosoma cruzi	hypothetical protein, conserved	0.0007	0.0336	0.0336
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0023	0.675	0.675
Leishmania major	DNA damage repair protein, putative	0.0007	0.0336	0.0336
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.675	0.675
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0019	0.5064	0.5064
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0007	0.0336	0.0336
Leishmania major	DNA polymerase kappa, putative	0.0007	0.0336	0.0336
Trypanosoma cruzi	flap endonuclease-1 (FEN-1), putative	0.0031	1	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.675	0.675
Trypanosoma brucei	DNA polymerase IV, putative	0.0023	0.675	0.675
Trypanosoma brucei	DNA polymerase kappa, putative	0.0016	0.3864	0.3864
Leishmania major	DNA polymerase kappa, putative	0.0023	0.675	0.675
Mycobacterium ulcerans	DNA polymerase IV	0.0023	0.675	1
Plasmodium vivax	DNA repair protein REV1, putative	0.0007	0.0336	0.0336
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.675	0.675
Trypanosoma brucei	flap endonuclease-1 (FEN-1), putative	0.0031	1	1
Brugia malayi	ImpB/MucB/SamB family protein	0.0023	0.675	0.675
Leishmania major	DNA polymerase eta, putative	0.0007	0.0336	0.0336
Plasmodium falciparum	flap endonuclease 1	0.0031	1	1
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0019	0.5064	0.5064
Schistosoma mansoni	DNA polymerase eta	0.0023	0.675	0.7676
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.675	0.675
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0019	0.5064	0.5064
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0023	0.675	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.675	0.675
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0019	0.5064	0.5064
Trypanosoma brucei	DNA polymerase kappa, putative	0.0007	0.0336	0.0336
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0019	0.5064	0.5758
Trypanosoma brucei	unspecified product	0.0023	0.675	0.675
Trypanosoma brucei	DNA damage repair protein, putative	0.0007	0.0336	0.0336
Trypanosoma brucei	hypothetical protein, conserved	0.0007	0.0336	0.0336
Leishmania major	flap endonuclease-1 (FEN-1), putative	0.0031	1	1
Trypanosoma cruzi	DNA damage repair protein, putative	0.0007	0.0336	0.0336
Leishmania major	DNA polymerase eta, putative	0.0023	0.675	0.675

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

Search by CAS
PubChem: 34160

Bibliographic References

No literature references available for this target.

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Detailed information for compound 559751