Detailed information for compound 1452290
Basic information
Technical information
- TDR Targets ID: 1452290
- Name: 2-[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazol idin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
- MW: 505.519 | Formula: C27H27N3O7
-
H donors: 2
H acceptors: 3
LogP: 3.11
Rotable bonds: 10
Rule of 5 violations (Lipinski): 2 - SMILES: COc1ccc(cc1)C1(NC(=O)N(C1=O)CC(=O)Nc1ccc(c(c1)OC)OC)c1ccc(cc1)OC
- InChi: 1S/C27H27N3O7/c1-34-20-10-5-17(6-11-20)27(18-7-12-21(35-2)13-8-18)25(32)30(26(33)29-27)16-24(31)28-19-9-14-22(36-3)23(15-19)37-4/h5-15H,16H2,1-4H3,(H,28,31)(H,29,33)
- InChiKey: XEQIUYGSNLFTAQ-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- 2-[4,4-bis(4-methoxyphenyl)-2,5-dioxo-imidazolidin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
- 2-[4,4-bis(4-methoxyphenyl)-2,5-dioxo-1-imidazolidinyl]-N-(3,4-dimethoxyphenyl)acetamide
- 2-[2,5-diketo-4,4-bis(4-methoxyphenyl)imidazolidin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
- 2-[4,4-bis(4-methoxyphenyl)-2,5-dioxo-imidazolidin-1-yl]-N-(3,4-dimethoxyphenyl)ethanamide
- T5608797
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 | RNA binding protein | 0.0138 | 0.3886 | 0.3886 |
| Trypanosoma brucei | PAB1-binding protein , putative | 0.0082 | 0.1348 | 0.5 |
| Loa Loa (eye worm) | latrophilin receptor protein 2 | 0.0085 | 0.1486 | 0.0159 |
| Brugia malayi | Latrophilin receptor protein 2 | 0.0085 | 0.1486 | 0.1486 |
| Plasmodium vivax | ataxin-2 like protein, putative | 0.0082 | 0.1348 | 0.5 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0138 | 0.3886 | 0.5249 |
| Loa Loa (eye worm) | hypothetical protein | 0.0185 | 0.6059 | 0.5445 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0138 | 0.3886 | 0.5249 |
| Leishmania major | hypothetical protein, conserved | 0.0082 | 0.1348 | 0.5 |
| Trypanosoma cruzi | PAB1-binding protein , putative | 0.0082 | 0.1348 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0085 | 0.1486 | 0.0159 |
| Loa Loa (eye worm) | hypothetical protein | 0.027 | 1 | 1 |
| Brugia malayi | Calcitonin receptor-like protein seb-1 | 0.027 | 1 | 1 |
| Loa Loa (eye worm) | TAR-binding protein | 0.0138 | 0.3886 | 0.2934 |
| Echinococcus multilocularis | tar DNA binding protein | 0.0138 | 0.3886 | 1 |
| Brugia malayi | RNA recognition motif domain containing protein | 0.0138 | 0.3886 | 0.3886 |
| Brugia malayi | latrophilin 2 splice variant baaae | 0.0185 | 0.6059 | 0.6059 |
| Plasmodium falciparum | ataxin-2 like protein, putative | 0.0082 | 0.1348 | 0.5 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0138 | 0.3886 | 0.5249 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0138 | 0.3886 | 0.5249 |
| Loa Loa (eye worm) | RNA recognition domain-containing protein domain-containing protein | 0.0138 | 0.3886 | 0.2934 |
| Brugia malayi | hypothetical protein | 0.0082 | 0.1348 | 0.1348 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0138 | 0.3886 | 0.5249 |
| Trypanosoma cruzi | PAB1-binding protein , putative | 0.0082 | 0.1348 | 0.5 |
| Loa Loa (eye worm) | pigment dispersing factor receptor c | 0.027 | 1 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0185 | 0.6059 | 1 |
| Plasmodium falciparum | ataxin-2 like protein, putative | 0.0082 | 0.1348 | 0.5 |
| Brugia malayi | calcium-independent alpha-latrotoxin receptor 2, putative | 0.0085 | 0.1486 | 0.1486 |
| Brugia malayi | TAR-binding protein | 0.0138 | 0.3886 | 0.3886 |
| Loa Loa (eye worm) | RNA binding protein | 0.0138 | 0.3886 | 0.2934 |
| Toxoplasma gondii | LsmAD domain-containing protein | 0.0082 | 0.1348 | 0.5 |
| Echinococcus granulosus | tar DNA binding protein | 0.0138 | 0.3886 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | 6.5733 uM | PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] | ChEMBL. | No reference |
| Potency (functional) | 11.6891 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) | 17.7828 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] | ChEMBL. | No reference |
| Potency (functional) | = 25.1189 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 28.1838 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] | ChEMBL. | No reference |
| Potency (functional) | 79.4328 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] | ChEMBL. | No reference |
Phenotypes
Whole-cell/tissue/organism interactions
| Species name | Source | Reference | Is orphan |
|---|---|---|---|
| Plasmodium falciparum | ChEMBL23 | ||
| Homo sapiens | 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: CHEMBL1585930
Bibliographic References
No literature references available for this target.
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