Detailed information for compound 1529159
Basic information
Technical information
- TDR Targets ID: 1529159
- Name: 1-(2-methoxyethyl)-3-phenyl-1-(1-pyridin-3-yl ethyl)urea
- MW: 299.368 | Formula: C17H21N3O2
-
H donors: 1
H acceptors: 2
LogP: 1.79
Rotable bonds: 8
Rule of 5 violations (Lipinski): 1 - SMILES: COCCN(C(c1cccnc1)C)C(=O)Nc1ccccc1
- InChi: 1S/C17H21N3O2/c1-14(15-7-6-10-18-13-15)20(11-12-22-2)17(21)19-16-8-4-3-5-9-16/h3-10,13-14H,11-12H2,1-2H3,(H,19,21)
- InChiKey: QDDFHXDQHRQBRY-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- 1-(2-methoxyethyl)-3-phenyl-1-[1-(3-pyridyl)ethyl]urea
- MLS000120174
- SMR000097091
- EU-0098121
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
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Brugia malayi | Immunoglobulin I-set domain containing protein | 0.0083 | 1 | 1 |
| Echinococcus granulosus | receptor type tyrosine protein phosphatase | 0.0083 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0083 | 1 | 1 |
| Loa Loa (eye worm) | fibronectin type III domain-containing protein | 0.0083 | 1 | 1 |
| Onchocerca volvulus | 0.0083 | 1 | 0.5 | |
| Schistosoma mansoni | ephrin receptor | 0.0083 | 1 | 0.5 |
| Echinococcus multilocularis | fibronectin type III domain-containing protein | 0.0083 | 1 | 0.5 |
| Brugia malayi | Immunoglobulin I-set domain containing protein | 0.0083 | 1 | 1 |
| Brugia malayi | myotactin form B | 0.0083 | 1 | 1 |
| Schistosoma mansoni | receptor tyrosine phosphatase type r2a | 0.0083 | 1 | 0.5 |
| Echinococcus granulosus | nephrin | 0.0083 | 1 | 0.5 |
| Echinococcus multilocularis | Netrin receptor DCC | 0.0083 | 1 | 0.5 |
| Schistosoma mansoni | receptor tyrosine phosphatase type r2a | 0.0083 | 1 | 0.5 |
| Schistosoma mansoni | hypothetical protein | 0.0083 | 1 | 0.5 |
| Schistosoma mansoni | hypothetical protein | 0.0083 | 1 | 0.5 |
| Echinococcus multilocularis | Phosphotidylinositol phosphatase PTPRQ | 0.0083 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0083 | 1 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0083 | 1 | 0.5 |
| Brugia malayi | Protein-tyrosine phosphatase | 0.0083 | 1 | 1 |
| Echinococcus multilocularis | titin | 0.0083 | 1 | 0.5 |
| Echinococcus multilocularis | anosmin 1 | 0.0083 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0083 | 1 | 1 |
| Echinococcus granulosus | titin | 0.0083 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0083 | 1 | 1 |
| Onchocerca volvulus | 0.0083 | 1 | 0.5 | |
| Echinococcus multilocularis | Fibronectin type III domain containing protein | 0.0083 | 1 | 0.5 |
| Echinococcus multilocularis | receptor type tyrosine protein phosphatase F | 0.0083 | 1 | 0.5 |
| Echinococcus multilocularis | insulin growth factor 1 receptor beta | 0.0083 | 1 | 0.5 |
| Schistosoma mansoni | factor for adipocyte differentiation | 0.0083 | 1 | 0.5 |
| Loa Loa (eye worm) | immunoglobulin I-set domain-containing protein | 0.0083 | 1 | 1 |
| Schistosoma mansoni | cell adhesion molecule | 0.0083 | 1 | 0.5 |
| Brugia malayi | hypothetical protein | 0.0083 | 1 | 1 |
| Echinococcus multilocularis | roundabout 2 | 0.0083 | 1 | 0.5 |
| Echinococcus granulosus | Down syndrome cell adhesion molecule | 0.0083 | 1 | 0.5 |
| Brugia malayi | Fibronectin type III domain containing protein | 0.0083 | 1 | 1 |
| Echinococcus multilocularis | cell adhesion molecule | 0.0083 | 1 | 0.5 |
| Brugia malayi | protein-tyrosine phosphatase Lar-like precursor, putative | 0.0083 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0083 | 1 | 1 |
| Loa Loa (eye worm) | CAMK/MLCK protein kinase | 0.0083 | 1 | 1 |
| Echinococcus multilocularis | Receptor type tyrosine protein phosphatase O | 0.0083 | 1 | 0.5 |
| Schistosoma mansoni | receptor tyrosine phosphatase type r2a | 0.0083 | 1 | 0.5 |
| Onchocerca volvulus | 0.0083 | 1 | 0.5 | |
| Echinococcus granulosus | insulin growth factor 1 receptor beta | 0.0083 | 1 | 0.5 |
| Loa Loa (eye worm) | immunoglobulin I-set domain-containing protein | 0.0083 | 1 | 1 |
| Brugia malayi | Lethal protein 805 | 0.0083 | 1 | 1 |
| Echinococcus multilocularis | transfer RNA-Phe | 0.0083 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0083 | 1 | 1 |
| Echinococcus granulosus | cell adhesion molecule | 0.0083 | 1 | 0.5 |
| Echinococcus multilocularis | anosmin 1 | 0.0083 | 1 | 0.5 |
| Loa Loa (eye worm) | immunoglobulin I-set domain-containing protein | 0.0083 | 1 | 1 |
| Echinococcus granulosus | receptor type tyrosine protein phosphatase zeta | 0.0083 | 1 | 0.5 |
| Loa Loa (eye worm) | myotactin form A | 0.0083 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0083 | 1 | 1 |
| Brugia malayi | Immunoglobulin I-set domain containing protein | 0.0083 | 1 | 1 |
| Echinococcus granulosus | roundabout 2 | 0.0083 | 1 | 0.5 |
| Echinococcus granulosus | Phosphotidylinositol phosphatase PTPRQ | 0.0083 | 1 | 0.5 |
| Echinococcus multilocularis | neuroglian | 0.0083 | 1 | 0.5 |
| Echinococcus granulosus | contactin | 0.0083 | 1 | 0.5 |
| Loa Loa (eye worm) | projectin | 0.0083 | 1 | 1 |
| Schistosoma mansoni | cell adhesion molecule | 0.0083 | 1 | 0.5 |
| Schistosoma mansoni | nephrin | 0.0083 | 1 | 0.5 |
| Echinococcus multilocularis | contactin neuroglian septate junction protein | 0.0083 | 1 | 0.5 |
| Echinococcus multilocularis | receptor type tyrosine protein phosphatase zeta | 0.0083 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0083 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0083 | 1 | 1 |
| Echinococcus granulosus | roundabout 2 | 0.0083 | 1 | 0.5 |
| Onchocerca volvulus | 0.0083 | 1 | 0.5 | |
| Echinococcus granulosus | titin | 0.0083 | 1 | 0.5 |
| Brugia malayi | Immunoglobulin I-set domain containing protein | 0.0083 | 1 | 1 |
| Echinococcus granulosus | Fibronectin type III domain containing protein | 0.0083 | 1 | 0.5 |
| Schistosoma mansoni | serine/threonine protein kinase | 0.0083 | 1 | 0.5 |
| Schistosoma mansoni | factor for adipocyte differentiation | 0.0083 | 1 | 0.5 |
| Schistosoma mansoni | titin | 0.0083 | 1 | 0.5 |
| Loa Loa (eye worm) | CAMK/MLCK protein kinase | 0.0083 | 1 | 1 |
| Loa Loa (eye worm) | fibronectin type III domain-containing protein | 0.0083 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0083 | 1 | 1 |
| Onchocerca volvulus | 0.0083 | 1 | 0.5 | |
| Echinococcus granulosus | Netrin receptor DCC | 0.0083 | 1 | 0.5 |
| Loa Loa (eye worm) | CAMK protein kinase | 0.0083 | 1 | 1 |
| Loa Loa (eye worm) | UNCoordinated family member | 0.0083 | 1 | 1 |
| Brugia malayi | Immunoglobulin I-set domain containing protein | 0.0083 | 1 | 1 |
| Echinococcus granulosus | Fibronectin type III | 0.0083 | 1 | 0.5 |
| Echinococcus multilocularis | receptor type tyrosine protein phosphatase | 0.0083 | 1 | 0.5 |
| Brugia malayi | Immunoglobulin I-set domain containing protein | 0.0083 | 1 | 1 |
| Schistosoma mansoni | titin | 0.0083 | 1 | 0.5 |
| Brugia malayi | Fibronectin type III domain containing protein | 0.0083 | 1 | 1 |
| Onchocerca volvulus | 0.0083 | 1 | 0.5 | |
| Loa Loa (eye worm) | hypothetical protein | 0.0083 | 1 | 1 |
| Echinococcus granulosus | anosmin 1 | 0.0083 | 1 | 0.5 |
| Brugia malayi | Fibronectin type III domain containing protein | 0.0083 | 1 | 1 |
| Schistosoma mansoni | cell adhesion molecule | 0.0083 | 1 | 0.5 |
| Loa Loa (eye worm) | immunoglobulin I-set domain-containing protein | 0.0083 | 1 | 1 |
| Schistosoma mansoni | nephrin | 0.0083 | 1 | 0.5 |
| Brugia malayi | protein unc-22 | 0.0083 | 1 | 1 |
| Echinococcus multilocularis | Netrin receptor DCC | 0.0083 | 1 | 0.5 |
| Loa Loa (eye worm) | fibronectin type III domain-containing protein | 0.0083 | 1 | 1 |
| Onchocerca volvulus | 0.0083 | 1 | 0.5 | |
| Schistosoma mansoni | factor for adipocyte differentiation | 0.0083 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0083 | 1 | 1 |
| Schistosoma mansoni | receptor tyrosine phosphatase type r2a | 0.0083 | 1 | 0.5 |
| Schistosoma mansoni | hemicentin | 0.0083 | 1 | 0.5 |
| Onchocerca volvulus | 0.0083 | 1 | 0.5 | |
| Echinococcus granulosus | usherin | 0.0083 | 1 | 0.5 |
| Trypanosoma cruzi | Fibronectin type III domain containing protein, putative | 0.0083 | 1 | 0.5 |
| Brugia malayi | hypothetical protein | 0.0083 | 1 | 1 |
| Schistosoma mansoni | titin | 0.0083 | 1 | 0.5 |
| Brugia malayi | Immunoglobulin I-set domain containing protein | 0.0083 | 1 | 1 |
| Echinococcus multilocularis | receptor type tyrosine protein phosphatase | 0.0083 | 1 | 0.5 |
| Brugia malayi | Fibronectin type III domain containing protein | 0.0083 | 1 | 1 |
| Schistosoma mansoni | cell adhesion molecule | 0.0083 | 1 | 0.5 |
| Echinococcus granulosus | Netrin receptor DCC | 0.0083 | 1 | 0.5 |
| Echinococcus granulosus | anosmin 1 | 0.0083 | 1 | 0.5 |
| Brugia malayi | Twik (KCNK-like) family of potassium channels, alpha subunit 30. | 0.0083 | 1 | 1 |
| Echinococcus granulosus | fibronectin type III domain-containing protein | 0.0083 | 1 | 0.5 |
| Brugia malayi | Twik (KCNK-like) family of potassium channels, alpha subunit 32 | 0.0083 | 1 | 1 |
| Onchocerca volvulus | 0.0083 | 1 | 0.5 | |
| Echinococcus granulosus | receptor type tyrosine protein phosphatase | 0.0083 | 1 | 0.5 |
| Echinococcus granulosus | anosmin 1 | 0.0083 | 1 | 0.5 |
| Onchocerca volvulus | 0.0083 | 1 | 0.5 | |
| Loa Loa (eye worm) | immunoglobulin I-set domain-containing protein | 0.0083 | 1 | 1 |
| Brugia malayi | SPRY domain containing protein | 0.0083 | 1 | 1 |
| Onchocerca volvulus | 0.0083 | 1 | 0.5 | |
| Echinococcus multilocularis | usherin | 0.0083 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0083 | 1 | 1 |
| Echinococcus multilocularis | Down syndrome cell adhesion molecule | 0.0083 | 1 | 0.5 |
| Echinococcus multilocularis | anosmin 1 | 0.0083 | 1 | 0.5 |
| Echinococcus multilocularis | receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type | 0.0083 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0083 | 1 | 1 |
| Echinococcus granulosus | roundabout 2 | 0.0083 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0083 | 1 | 1 |
| Echinococcus granulosus | neuroglian | 0.0083 | 1 | 0.5 |
| Echinococcus granulosus | G1Y162 protein | 0.0083 | 1 | 0.5 |
| Leishmania major | hypothetical protein, conserved | 0.0083 | 1 | 0.5 |
| Brugia malayi | Immunoglobulin I-set domain containing protein | 0.0083 | 1 | 1 |
| Onchocerca volvulus | 0.0083 | 1 | 0.5 | |
| Schistosoma mansoni | tripartite motif protein trim9 | 0.0083 | 1 | 0.5 |
| Echinococcus multilocularis | Fibronectin, type III | 0.0083 | 1 | 0.5 |
| Onchocerca volvulus | 0.0083 | 1 | 0.5 | |
| Trypanosoma cruzi | Fibronectin type III domain containing protein, putative | 0.0083 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0083 | 1 | 1 |
| Loa Loa (eye worm) | fibronectin type III domain-containing protein | 0.0083 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0083 | 1 | 1 |
| Brugia malayi | Fibronectin type III domain containing protein | 0.0083 | 1 | 1 |
| Schistosoma mansoni | cell adhesion molecule | 0.0083 | 1 | 0.5 |
| Brugia malayi | Immunoglobulin I-set domain containing protein | 0.0083 | 1 | 1 |
| Onchocerca volvulus | 0.0083 | 1 | 0.5 | |
| Brugia malayi | Immunoglobulin I-set domain containing protein | 0.0083 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0083 | 1 | 1 |
| Loa Loa (eye worm) | lethal protein 805 | 0.0083 | 1 | 1 |
| Brugia malayi | Fibronectin type III domain containing protein | 0.0083 | 1 | 1 |
| Echinococcus multilocularis | titin | 0.0083 | 1 | 0.5 |
| Schistosoma mansoni | myosin-binding protein-related | 0.0083 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0083 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0083 | 1 | 1 |
| Echinococcus granulosus | Phosphotidylinositol phosphatase PTPRQ | 0.0083 | 1 | 0.5 |
| Echinococcus multilocularis | roundabout 2 | 0.0083 | 1 | 0.5 |
| Trypanosoma brucei | Fibronectin type III domain containing protein, putative | 0.0083 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0083 | 1 | 1 |
| Echinococcus granulosus | EG95 | 0.0083 | 1 | 0.5 |
| Brugia malayi | Lethal protein 805 | 0.0083 | 1 | 1 |
| Trypanosoma cruzi | hypothetical protein, conserved | 0.0083 | 1 | 0.5 |
| Brugia malayi | Immunoglobulin I-set domain containing protein | 0.0083 | 1 | 1 |
| Echinococcus multilocularis | roundabout 2 | 0.0083 | 1 | 0.5 |
| Schistosoma mansoni | receptor protein tyrosine phosphatase | 0.0083 | 1 | 0.5 |
| Brugia malayi | myotactin form A | 0.0083 | 1 | 1 |
| Schistosoma mansoni | neuroglian | 0.0083 | 1 | 0.5 |
| Echinococcus granulosus | receptor type tyrosine protein phosphatase | 0.0083 | 1 | 0.5 |
| Schistosoma mansoni | protein tyrosine phosphatase | 0.0083 | 1 | 0.5 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | 5.2213 uM | PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] | ChEMBL. | No reference |
| Potency (functional) | 35.4813 uM | PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709] | ChEMBL. | No reference |
| Potency (functional) | 44.6684 uM | PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) | ChEMBL. | No reference |
Phenotypes
Whole-cell/tissue/organism interactions
| Species name | Source | Reference | Is orphan |
|---|---|---|---|
| Plasmodium falciparum | ChEMBL23 |
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.
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: CHEMBL1721889
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.