TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 473.994 | Formula: C28H28ClN3O2
H donors: 1 H acceptors: 2 LogP: 5.52 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: CC(Oc1ccc(cc1)CN(Cc1ccc2c(c1)cccn2)C)CNC(=O)c1cccc(c1)Cl
InChi: 1S/C28H28ClN3O2/c1-20(17-31-28(33)24-5-3-7-25(29)16-24)34-26-11-8-21(9-12-26)18-32(2)19-22-10-13-27-23(15-22)6-4-14-30-27/h3-16,20H,17-19H2,1-2H3,(H,31,33)
InChiKey: BYCVLVZDFXFJRT-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

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	guanine nucleotide binding protein G(s) subunit	0.0033	0.0861	0.0785
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0015	0.0221	0.0139
Trypanosoma brucei	DNA polymerase kappa, putative	0.0016	0.0275	1
Loa Loa (eye worm)	MH1 domain-containing protein	0.0015	0.0221	0.0316
Loa Loa (eye worm)	Smad1	0.0015	0.0221	0.0316
Leishmania major	DNA polymerase eta, putative	0.0016	0.0275	1
Echinococcus granulosus	intermediate filament protein	0.0026	0.0615	0.0537
Echinococcus multilocularis	voltage gated potassium channel	0.0011	0.0085	0.0002
Trypanosoma cruzi	DNA polymerase eta, putative	0.0016	0.0275	1
Brugia malayi	ImpB/MucB/SamB family protein	0.0016	0.0275	0.0394
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0139	0.02
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0033	0.0861	0.0785
Loa Loa (eye worm)	MH2 domain-containing protein	0.0015	0.0221	0.0316
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0013	0.0155	0.0074
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0085	0.0122
Schistosoma mansoni	voltage-gated potassium channel	0.0011	0.0085	0.0002
Trypanosoma brucei	DNA polymerase kappa, putative	0.0011	0.0105	0.1161
Brugia malayi	MH2 domain containing protein	0.0214	0.6976	1
Trypanosoma brucei	unspecified product	0.0016	0.0275	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0016	0.0275	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0016	0.0275	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0139	0.02
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0016	0.0275	0.0194
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0016	0.0275	0.5
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0037	0.0963	0.138
Brugia malayi	intermediate filament protein	0.0026	0.0615	0.0882
Loa Loa (eye worm)	cytochrome P450 family protein	0.0048	0.1361	0.1951
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0599	0.0858
Trypanosoma brucei	DNA polymerase IV, putative	0.0016	0.0275	1
Giardia lamblia	DINP protein human, muc B family	0.0016	0.0275	0.5
Echinococcus granulosus	lamin	0.0026	0.0615	0.0537
Echinococcus granulosus	lamin dm0	0.0026	0.0615	0.0537
Trypanosoma brucei	unspecified product	0.0011	0.0105	0.1161
Schistosoma mansoni	voltage-gated potassium channel	0.004	0.1076	0.1002
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0037	0.0963	0.0887
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0016	0.0275	0.0194
Schistosoma mansoni	hypothetical protein	0.0303	1	1
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0011	0.0085	0.0122
Echinococcus multilocularis	lamin	0.0026	0.0615	0.0537
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0016	0.0275	1
Schistosoma mansoni	voltage-gated potassium channel	0.004	0.1076	0.1002
Trypanosoma brucei	DNA polymerase kappa, putative	0.0016	0.0275	1
Brugia malayi	Cytochrome P450 family protein	0.0048	0.1361	0.1951
Loa Loa (eye worm)	cytochrome P450 family protein	0.0011	0.0083	0.0118
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0033	0.0861	0.0785
Brugia malayi	bZIP transcription factor family protein	0.0083	0.254	0.3641
Trypanosoma brucei	DNA polymerase kappa, putative	0.0016	0.0275	1
Echinococcus multilocularis	musashi	0.0026	0.0615	0.0537
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0037	0.0963	0.0887
Brugia malayi	cytochrome P450	0.0011	0.0083	0.0118
Brugia malayi	cytoplasmic intermediate filament protein	0.0014	0.0203	0.029
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0014	0.0203	0.029
Schistosoma mansoni	hypothetical protein	0.0303	1	1
Echinococcus granulosus	jun protein	0.0083	0.254	0.2478
Echinococcus multilocularis	dna polymerase kappa	0.0016	0.0275	0.0194
Loa Loa (eye worm)	MH2 domain-containing protein	0.0214	0.6976	1
Brugia malayi	hypothetical protein	0.0065	0.1936	0.2775
Loa Loa (eye worm)	cytochrome P450	0.0011	0.0083	0.0118
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0155	0.0223
Echinococcus multilocularis	smad	0.0015	0.0221	0.0139
Echinococcus granulosus	Basic leucine zipper bZIP transcription factor	0.0083	0.254	0.2478
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0016	0.0275	0.0394
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0015	0.0221	0.0139
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0033	0.0861	0.1234
Loa Loa (eye worm)	transcription factor SMAD2	0.0214	0.6976	1
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0026	0.0615	0.0882
Trypanosoma brucei	DNA polymerase IV, putative	0.0016	0.0275	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0033	0.0861	0.0785
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0037	0.0963	0.138
Trypanosoma brucei	DNA polymerase kappa, putative	0.0016	0.0275	1
Echinococcus multilocularis	geminin	0.0303	1	1
Loa Loa (eye worm)	intermediate filament protein	0.0026	0.0615	0.0882
Mycobacterium ulcerans	DNA polymerase IV	0.0016	0.0275	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0016	0.0275	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0033	0.0861	0.1234
Brugia malayi	Cytochrome P450 family protein	0.0011	0.0083	0.0118
Schistosoma mansoni	smad1 5 8 and	0.0015	0.0221	0.0139
Mycobacterium ulcerans	DNA polymerase IV	0.0016	0.0275	1
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0016	0.0275	1
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0034	0.0881	1
Schistosoma mansoni	jun-related protein	0.0068	0.2013	0.1947
Schistosoma mansoni	smad1 5 8 and	0.0015	0.0221	0.0139
Toxoplasma gondii	cytochrome p450 superfamily protein	0.0011	0.0083	0.5
Brugia malayi	Smad1	0.0015	0.0221	0.0316
Echinococcus granulosus	Smad4	0.0015	0.0221	0.0139
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0033	0.0861	0.0785
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0275	0.0394
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0016	0.0275	1
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0016	0.0275	0.0194
Loa Loa (eye worm)	hypothetical protein	0.0081	0.2463	0.3531
Trypanosoma brucei	DNA polymerase kappa, putative	0.0016	0.0275	1
Schistosoma mansoni	smad1 5 8 and	0.0015	0.0221	0.0139
Schistosoma mansoni	DNA polymerase eta	0.0016	0.0275	0.0194
Brugia malayi	MH1 domain containing protein	0.0015	0.0221	0.0316
Schistosoma mansoni	intermediate filament proteins	0.0026	0.0615	0.0537
Schistosoma mansoni	hypothetical protein	0.0068	0.2013	0.1947
Schistosoma mansoni	voltage-gated potassium channel	0.0011	0.0085	0.0002
Schistosoma mansoni	Smad4	0.0015	0.0221	0.0139
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription factor	0.0083	0.254	0.2478
Echinococcus granulosus	voltage gated potassium channel	0.0011	0.0085	0.0002
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0013	0.0155	0.0074
Brugia malayi	MH2 domain containing protein	0.0015	0.0221	0.0316
Echinococcus multilocularis	dna polymerase eta	0.0016	0.0275	0.0194
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0016	0.0275	0.0194
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0016	0.0275	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0011	0.0083	0.0118
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0034	0.0881	1
Schistosoma mansoni	lamin	0.0026	0.0615	0.0537
Echinococcus granulosus	mothers against decapentaplegic 5	0.0015	0.0221	0.0139
Trypanosoma brucei	DNA polymerase kappa, putative	0.0011	0.0105	0.1161
Mycobacterium leprae	Conserved hypothetical protein	0.0011	0.0083	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.0011	0.0105	0.1161
Trypanosoma brucei	DNA polymerase kappa, putative	0.0016	0.0275	1
Schistosoma mansoni	lamin	0.0026	0.0615	0.0537
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0016	0.0275	1
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0015	0.0221	0.0139
Trypanosoma brucei	DNA polymerase eta, putative	0.0016	0.0275	1
Mycobacterium leprae	putative cytochrome p450	0.0011	0.0083	0.5
Brugia malayi	Intermediate filament tail domain containing protein	0.0026	0.0615	0.0882
Echinococcus multilocularis	Smad4	0.0015	0.0221	0.0139
Schistosoma mansoni	hypothetical protein	0.005	0.143	0.1359
Echinococcus multilocularis	jun protein	0.0083	0.254	0.2478
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0015	0.0221	0.0139
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0615	0.0882
Echinococcus granulosus	dna polymerase kappa	0.0016	0.0275	0.0194
Trypanosoma brucei	DNA polymerase kappa, putative	0.0016	0.0275	1
Brugia malayi	ImpB/MucB/SamB family protein	0.0016	0.0275	0.0394
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0033	0.0861	0.0785
Brugia malayi	MH1 domain containing protein	0.0015	0.0221	0.0316
Trypanosoma brucei	unspecified product	0.0011	0.0105	0.1161
Trypanosoma brucei	DNA polymerase kappa, putative	0.0016	0.0275	1
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0011	0.0085	0.0002
Echinococcus granulosus	dna polymerase eta	0.0016	0.0275	0.0194
Echinococcus granulosus	smad	0.0015	0.0221	0.0139
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0033	0.0861	0.0785
Brugia malayi	Cytochrome P450 family protein	0.0011	0.0083	0.0118
Onchocerca volvulus		0.0065	0.1936	1
Echinococcus multilocularis	lamin dm0	0.0026	0.0615	0.0537
Schistosoma mansoni	smad	0.0015	0.0221	0.0139
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0799	0.1146
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0016	0.0275	1
Brugia malayi	MH2 domain containing protein	0.0015	0.0221	0.0316
Loa Loa (eye worm)	CYP4Cod1	0.0011	0.0083	0.0118
Leishmania major	DNA polymerase kappa, putative	0.0016	0.0275	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0016	0.0275	1
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0011	0.0085	0.0002
Brugia malayi	Cytochrome P450 family protein	0.0011	0.0083	0.0118

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 809006