TDR Targets

Basic information

Technical information

TDR Targets ID: 1420535
Name: 1-(1-adamantyl)-3-(3-ethoxypropyl)urea
MW: 280.406 | Formula: C16H28N2O2
H donors: 2 H acceptors: 1 LogP: 2.62 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCOCCCNC(=O)NC12CC3CC(C2)CC(C1)C3
InChi: 1S/C16H28N2O2/c1-2-20-5-3-4-17-15(19)18-16-9-12-6-13(10-16)8-14(7-12)11-16/h12-14H,2-11H2,1H3,(H2,17,18,19)
InChiKey: NUHGJOUBKMNZAM-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

STK087889
SMR000036414
AJ-292/41694938
ZINC04325436
MLS000078036

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
Brugia malayi	Matrixin family protein	0.0112	0.1091	0.0286
Loa Loa (eye worm)	RNA binding protein	0.0216	0.4226	0.4844
Mycobacterium tuberculosis	Probable peptidoglycan hydrolase	0.0136	0.1828	0.5
Schistosoma mansoni	matrix metallopeptidase-7 (M10 family)	0.0112	0.1091	0.2378
Schistosoma mansoni	hypothetical protein	0.0159	0.2504	0.5456
Loa Loa (eye worm)	matrixin family protein	0.0248	0.5208	0.6271
Schistosoma mansoni	tar DNA-binding protein	0.0216	0.4226	0.9209
Loa Loa (eye worm)	matrixin family protein	0.0271	0.5884	0.7254
Brugia malayi	RNA recognition motif domain containing protein	0.0216	0.4226	0.4844
Loa Loa (eye worm)	hypothetical protein	0.0136	0.1828	0.1357
Echinococcus multilocularis	tar DNA binding protein	0.0216	0.4226	0.3659
Loa Loa (eye worm)	TAR-binding protein	0.0216	0.4226	0.4844
Schistosoma mansoni	tar DNA-binding protein	0.0216	0.4226	0.9209
Schistosoma mansoni	hypothetical protein	0.0228	0.4589	1
Brugia malayi	Matrix metalloprotease, N-terminal domain containing protein	0.0136	0.1828	0.1357
Mycobacterium leprae	PROBABLE HYDROLASE	0.0136	0.1828	0.5
Loa Loa (eye worm)	hypothetical protein	0.0333	0.7772	1
Brugia malayi	Matrixin family protein	0.0271	0.5884	0.7254
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0333	0.7772	1
Onchocerca volvulus	Matrix metalloproteinase homolog	0.0248	0.5208	1
Onchocerca volvulus	Matrilysin homolog	0.0248	0.5208	1
Schistosoma mansoni	tar DNA-binding protein	0.0216	0.4226	0.9209
Brugia malayi	latrophilin 2 splice variant baaae	0.0228	0.4589	0.5371
Brugia malayi	Matrixin family protein	0.0112	0.1091	0.0286
Brugia malayi	Hemopexin family protein	0.0159	0.2504	0.234
Schistosoma mansoni	tar DNA-binding protein	0.0216	0.4226	0.9209
Loa Loa (eye worm)	hypothetical protein	0.0112	0.1091	0.0286
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0333	0.7772	1
Schistosoma mansoni	hypothetical protein	0.0105	0.0895	0.195
Echinococcus granulosus	tar DNA binding protein	0.0216	0.4226	0.3659
Loa Loa (eye worm)	hypothetical protein	0.0112	0.1091	0.0286
Schistosoma mansoni	hypothetical protein	0.0105	0.0895	0.195
Schistosoma mansoni	hypothetical protein	0.0105	0.0895	0.195
Loa Loa (eye worm)	hypothetical protein	0.0228	0.4589	0.5371
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0216	0.4226	0.4844
Echinococcus multilocularis	matrix metallopeptidase 7 (M10 family)	0.0407	1	1
Loa Loa (eye worm)	hypothetical protein	0.0112	0.1091	0.0286
Mycobacterium ulcerans	hydrolase	0.0136	0.1828	0.5
Schistosoma mansoni	hypothetical protein	0.0105	0.0895	0.195
Brugia malayi	Matrixin family protein	0.0112	0.1091	0.0286
Onchocerca volvulus		0.0159	0.2504	0.3431
Schistosoma mansoni	tar DNA-binding protein	0.0216	0.4226	0.9209
Brugia malayi	RNA binding protein	0.0216	0.4226	0.4844
Brugia malayi	TAR-binding protein	0.0216	0.4226	0.4844
Loa Loa (eye worm)	matrix metalloproteinase	0.0112	0.1091	0.0286
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0333	0.7772	1
Brugia malayi	Matrixin family protein	0.0112	0.1091	0.0286

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	25.1189 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	39.8107 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference

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: CHEMBL1570291

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 1420535