TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 474.724 | Formula: C31H46N4
H donors: 1 H acceptors: 1 LogP: 8.21 Rotable bonds: 15
Rule of 5 violations (Lipinski): 1
SMILES: CCCCCCCCN1CCN(CC1)CCCCCCNc1c2ccccc2nc2c1cccc2
InChi: 1S/C31H46N4/c1-2-3-4-5-7-14-21-34-23-25-35(26-24-34)22-15-8-6-13-20-32-31-27-16-9-11-18-29(27)33-30-19-12-10-17-28(30)31/h9-12,16-19H,2-8,13-15,20-26H2,1H3,(H,32,33)
InChiKey: YDSIHVHIPRQJDG-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
Giardia lamblia	Hypothetical protein	0.0404	0.6598	0.6539
Trichomonas vaginalis	cyclin D, putative	0.0404	0.6598	0.6539
Echinococcus granulosus	G2:mitotic specific cyclin B3	0.0404	0.6598	0.6598
Trichomonas vaginalis	cyclins, putative	0.0566	0.9842	1
Trichomonas vaginalis	cyclin B, putative	0.0566	0.9842	1
Schistosoma mansoni	cyclin d	0.0574	1	1
Echinococcus multilocularis	cyclin B	0.0566	0.9842	0.9842
Loa Loa (eye worm)	cyclin domain-containing protein	0.0097	0.047	0.047
Trichomonas vaginalis	cyclin B3, putative	0.0404	0.6598	0.6539
Echinococcus multilocularis	cyclins	0.0404	0.6598	0.6598
Schistosoma mansoni	cyclin G	0.0097	0.047	0.047
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0097	0.047	0.047
Plasmodium vivax	hypothetical protein, conserved	0.0097	0.047	0.5
Brugia malayi	hypothetical protein	0.0097	0.047	0.047
Echinococcus granulosus	Cyclin L1	0.0097	0.047	0.047
Loa Loa (eye worm)	cyclin domain-containing protein	0.0097	0.047	0.047
Echinococcus multilocularis	cyclin G2	0.0097	0.047	0.047
Echinococcus multilocularis	cyclin y	0.0097	0.047	0.047
Echinococcus granulosus	cyclin t1	0.0097	0.047	0.047
Trichomonas vaginalis	cyclin B, putative	0.0404	0.6598	0.6539
Echinococcus multilocularis	cyclins	0.0404	0.6598	0.6598
Echinococcus multilocularis	cyclins	0.0404	0.6598	0.6598
Trichomonas vaginalis	cyclin B, putative	0.0566	0.9842	1
Entamoeba histolytica	cyclin, putative	0.0404	0.6598	0.6539
Loa Loa (eye worm)	hypothetical protein	0.0574	1	1
Loa Loa (eye worm)	CYL-1 protein	0.0097	0.047	0.047
Echinococcus granulosus	cyclin y	0.0097	0.047	0.047
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0566	0.9842	0.9842
Echinococcus multilocularis	cyclin t1	0.0097	0.047	0.047
Schistosoma mansoni	hypothetical protein	0.0097	0.047	0.047
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0566	0.9842	0.9842
Echinococcus granulosus	cyclin	0.0097	0.047	0.047
Loa Loa (eye worm)	cyclin domain-containing protein	0.0097	0.047	0.047
Echinococcus granulosus	cyclin G2	0.0097	0.047	0.047
Trichomonas vaginalis	cyclins, putative	0.0566	0.9842	1
Schistosoma mansoni	cyclins	0.0404	0.6598	0.6598
Echinococcus granulosus	oligomeric golgi complex subunit 3	0.0097	0.047	0.047
Loa Loa (eye worm)	hypothetical protein	0.0476	0.8051	0.8051
Brugia malayi	hypothetical protein	0.0097	0.047	0.047
Entamoeba histolytica	cyclin, putative	0.0566	0.9842	1
Brugia malayi	Cyclin C	0.0097	0.047	0.047
Echinococcus granulosus	cyclin B	0.0566	0.9842	0.9842
Echinococcus multilocularis	cyclin	0.0097	0.047	0.047
Leishmania major	CYC2-like cyclin, putative,cyclin 6, putative	0.0566	0.9842	1
Schistosoma mansoni	cyclin B3	0.0404	0.6598	0.6598
Loa Loa (eye worm)	cyclin domain-containing protein	0.0404	0.6598	0.6598
Loa Loa (eye worm)	cyclin C	0.0097	0.047	0.047
Echinococcus granulosus	cyclin B3 1	0.0404	0.6598	0.6598
Schistosoma mansoni	proteasome subunit alpha 1 (T01 family)	0.0097	0.047	0.047
Trichomonas vaginalis	cyclins, putative	0.026	0.3714	0.3461
Plasmodium falciparum	cyclin	0.0404	0.6598	1
Echinococcus multilocularis	G2:mitotic specific cyclin B3	0.0404	0.6598	0.6598
Schistosoma mansoni	hypothetical protein	0.0097	0.047	0.047
Giardia lamblia	G2/mitotic-specific cyclin B	0.0566	0.9842	1
Trichomonas vaginalis	cyclin B, putative	0.0566	0.9842	1
Trypanosoma cruzi	cyclin, putative	0.0566	0.9842	1
Trypanosoma brucei	mitotic cyclin 6	0.0566	0.9842	1
Echinococcus granulosus	G1:S specific cyclin D1	0.0574	1	1
Loa Loa (eye worm)	hypothetical protein	0.0097	0.047	0.047
Plasmodium vivax	cyclin dependent kinase binding protein, putative	0.0097	0.047	0.5
Echinococcus granulosus	cyclin k	0.0097	0.047	0.047
Echinococcus multilocularis	Cyclin L1	0.0097	0.047	0.047
Echinococcus multilocularis	cyclin B3 1	0.0404	0.6598	0.6598
Loa Loa (eye worm)	hypothetical protein	0.0566	0.9842	0.9842
Trichomonas vaginalis	cyclins, putative	0.0404	0.6598	0.6539
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0097	0.047	0.047
Echinococcus multilocularis	cyclins	0.0404	0.6598	0.6598
Trichomonas vaginalis	cyclins, putative	0.0566	0.9842	1
Echinococcus multilocularis	cyclins	0.0404	0.6598	0.6598
Echinococcus granulosus	cdk5 and abl1 enzyme substrate 1	0.0097	0.047	0.047
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0097	0.047	0.047
Giardia lamblia	Cyclin A	0.0404	0.6598	0.6539
Loa Loa (eye worm)	cyclin domain-containing protein	0.0097	0.047	0.047
Trypanosoma cruzi	cyclin, putative	0.0566	0.9842	1
Echinococcus granulosus	cyclin G2	0.0097	0.047	0.047
Echinococcus granulosus	cyclin A3 4	0.0097	0.047	0.047
Onchocerca volvulus		0.0566	0.9842	1
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0097	0.047	0.047
Echinococcus multilocularis	cyclin k	0.0097	0.047	0.047
Echinococcus granulosus	cyclin b3	0.0404	0.6598	0.6598
Trypanosoma cruzi	CYC2-like cyclin, putative	0.0566	0.9842	1
Trichomonas vaginalis	cyclin A, putative	0.0566	0.9842	1
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0404	0.6598	0.6598
Schistosoma mansoni	Cyclin fold protein	0.0097	0.047	0.047
Loa Loa (eye worm)	cyclin domain-containing protein	0.0097	0.047	0.047
Loa Loa (eye worm)	hypothetical protein	0.0162	0.1765	0.1765
Echinococcus multilocularis	cyclin A3 4	0.0097	0.047	0.047
Echinococcus multilocularis	cyclins	0.0404	0.6598	0.6598
Echinococcus multilocularis	oligomeric golgi complex subunit 3	0.0097	0.047	0.047
Loa Loa (eye worm)	hypothetical protein	0.0566	0.9842	0.9842
Trypanosoma cruzi	cyclin 6, putative	0.0566	0.9842	1
Echinococcus granulosus	cyclins	0.0404	0.6598	0.6598
Loa Loa (eye worm)	cyclin domain-containing protein	0.0097	0.047	0.047
Echinococcus multilocularis	cyclin y	0.0097	0.047	0.047
Schistosoma mansoni	cyclin l	0.0097	0.047	0.047
Echinococcus granulosus	cyclins	0.0404	0.6598	0.6598
Echinococcus granulosus	cyclins	0.0097	0.047	0.047
Echinococcus granulosus	cyclins	0.0404	0.6598	0.6598
Trichomonas vaginalis	cyclin B, putative	0.0566	0.9842	1
Schistosoma mansoni	g1/s-specific cyclin C	0.0097	0.047	0.047
Echinococcus granulosus	cyclins	0.0404	0.6598	0.6598
Echinococcus multilocularis	G1:S specific cyclin D1	0.0574	1	1
Schistosoma mansoni	cyclin G2	0.0097	0.047	0.047
Echinococcus granulosus	cyclin y	0.0097	0.047	0.047
Echinococcus multilocularis	cyclin b3	0.0404	0.6598	0.6598
Plasmodium vivax	cyclin homologue, putative	0.0097	0.047	0.5
Brugia malayi	cyclin fold protein 1 variant b	0.0097	0.047	0.047
Toxoplasma gondii	hypothetical protein	0.0306	0.4649	1
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0097	0.047	0.047
Trichomonas vaginalis	cyclins, putative	0.0566	0.9842	1
Echinococcus multilocularis	cyclin G2	0.0097	0.047	0.047
Trichomonas vaginalis	cyclin D, putative	0.0404	0.6598	0.6539
Echinococcus multilocularis	cdk5 and abl1 enzyme substrate 1	0.0097	0.047	0.047
Echinococcus multilocularis	cyclins	0.0404	0.6598	0.6598
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0097	0.047	0.047
Loa Loa (eye worm)	cyclin fold protein 1 variant b	0.0097	0.047	0.047
Schistosoma mansoni	cyclin B	0.0566	0.9842	0.9842
Leishmania major	cyclin	0.0566	0.9842	1
Plasmodium vivax	cyclin 4, putative	0.0097	0.047	0.5
Entamoeba histolytica	cyclin family protein	0.0404	0.6598	0.6539
Entamoeba histolytica	cyclin family protein	0.0404	0.6598	0.6539
Trichomonas vaginalis	conserved hypothetical protein	0.0404	0.6598	0.6539
Echinococcus granulosus	cyclins	0.0404	0.6598	0.6598
Schistosoma mansoni	cyclin k	0.0097	0.047	0.047

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

ChEMBL: CHEMBL546200

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1043031