TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 280.407 | Formula: C19H24N2
H donors: 1 H acceptors: 0 LogP: 4.03 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: CC[C@@H]1CC[C@H]2N(C1)CCc1c(C2=C)[nH]c2c1cccc2
InChi: 1S/C19H24N2/c1-3-14-8-9-18-13(2)19-16(10-11-21(18)12-14)15-6-4-5-7-17(15)20-19/h4-7,14,18,20H,2-3,8-12H2,1H3/t14-,18-/m1/s1
InChiKey: PDILDUDBLULMER-RDTXWAMCSA-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
Toxoplasma gondii	dynamin-related protein DRPA	0.00277886	0.811199	1
Onchocerca volvulus		0.00227129	0.360491	0.5
Trichomonas vaginalis	dynamin, putative	0.00277886	0.811199	0.5
Trichomonas vaginalis	dynamin, putative	0.00277886	0.811199	0.5
Trichomonas vaginalis	dynamin, putative	0.00277886	0.811199	0.5
Trichomonas vaginalis	dynamin, putative	0.00277886	0.811199	0.5
Onchocerca volvulus		0.00227129	0.360491	0.5
Brugia malayi	Dynamin	0.00299148	1	1
Echinococcus granulosus	dynamin 1	0.00299148	1	1
Echinococcus multilocularis	dynamin 1	0.00299148	1	1
Trichomonas vaginalis	dynamin, putative	0.00277886	0.811199	0.5
Plasmodium falciparum	dynamin-like protein	0.00277886	0.811199	0.5
Onchocerca volvulus		0.00227129	0.360491	0.5
Onchocerca volvulus		0.00227129	0.360491	0.5
Entamoeba histolytica	dynamin-like protein	0.00277886	0.811199	0.5
Plasmodium falciparum	dynamin-like protein	0.00277886	0.811199	0.5
Trypanosoma brucei	dynamin-1-like protein	0.00277886	0.811199	0.5
Toxoplasma gondii	dynamin-related protein DRPB	0.00277886	0.811199	1
Onchocerca volvulus		0.00227129	0.360491	0.5
Schistosoma mansoni	dynamin	0.00299148	1	1
Onchocerca volvulus		0.00227129	0.360491	0.5
Onchocerca volvulus		0.00227129	0.360491	0.5
Brugia malayi	Dynamin	0.00299148	1	1
Echinococcus granulosus	dynamin	0.00277886	0.811199	0.704772
Onchocerca volvulus		0.00227129	0.360491	0.5
Echinococcus multilocularis	dynamin 1 protein	0.00277886	0.811199	0.704772
Onchocerca volvulus		0.00227129	0.360491	0.5
Onchocerca volvulus		0.00227129	0.360491	0.5
Trypanosoma brucei	dynamin-1-like protein	0.00277886	0.811199	0.5
Trichomonas vaginalis	interferon-induced GTP-binding protein mx, putative	0.00277886	0.811199	0.5
Onchocerca volvulus		0.00227129	0.360491	0.5
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.00227129	0.360491	0.5
Loa Loa (eye worm)	hypothetical protein	0.00299148	1	1
Echinococcus multilocularis	dynamin	0.00277886	0.811199	0.704772
Onchocerca volvulus		0.00227129	0.360491	0.5
Giardia lamblia	Dynamin	0.00277886	0.811199	0.5
Brugia malayi	Dynamin central region family protein	0.00277886	0.811199	0.704772
Onchocerca volvulus		0.00227129	0.360491	0.5
Echinococcus granulosus	dynamin 1 protein	0.00277886	0.811199	0.704772
Onchocerca volvulus		0.00227129	0.360491	0.5
Entamoeba histolytica	dynamin-1-like protein, putative	0.00277886	0.811199	0.5
Plasmodium vivax	dynamin-like protein, putative	0.00277886	0.811199	0.5
Onchocerca volvulus		0.00227129	0.360491	0.5
Onchocerca volvulus	Neuropeptide F receptor homolog	0.00227129	0.360491	0.5
Trichomonas vaginalis	mgm1, putative	0.00277886	0.811199	0.5
Plasmodium vivax	dynamin protein, putative	0.00277886	0.811199	0.5
Onchocerca volvulus		0.00227129	0.360491	0.5
Trypanosoma cruzi	dynamin-1-like protein	0.00277886	0.811199	0.5
Trichomonas vaginalis	dynamin, putative	0.00277886	0.811199	0.5
Schistosoma mansoni	dynamin	0.00299148	1	1
Leishmania major	GTP-binding protein, putative	0.00277886	0.811199	0.5
Onchocerca volvulus		0.00227129	0.360491	0.5
Loa Loa (eye worm)	DRP-1 protein	0.00277886	0.811199	0.704772
Schistosoma mansoni	dynamin	0.00277886	0.811199	0.704772

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 17.8 uM	Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum FCB1-R/Colombia by [3H]hypoxanthine uptake	ChEMBL.	12398531
IC50 (functional)	= 20.2 uM	Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum W2/Indochina by [3H]hypoxanthine uptake	ChEMBL.	12398531
IC50 (functional)	= 26.8 uM	Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum FCA 20/ Ghana by [3H]hypoxanthine uptake	ChEMBL.	12398531
IC90 (functional)	= 62.8 uM	Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum FCB1-R/Colombia by [3H]hypoxanthine uptake	ChEMBL.	12398531
IC90 (functional)	= 70.1 uM	Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum W2/Indochina by [3H]hypoxanthine uptake	ChEMBL.	12398531
IC90 (functional)	= 71 uM	Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum FCA 20/ Ghana by [3H]hypoxanthine uptake	ChEMBL.	12398531

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23	12398531

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: CHEMBL452249

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 950399