Detailed information for compound 1410109
Basic information
Technical information
- TDR Targets ID: 1410109
- Name: N-[2-(3,4-diethoxyphenyl)ethyl]-4-(2-oxopyrro lidin-1-yl)benzamide
- MW: 396.479 | Formula: C23H28N2O4
-
H donors: 1
H acceptors: 2
LogP: 3.25
Rotable bonds: 10
Rule of 5 violations (Lipinski): 1 - SMILES: CCOc1cc(CCNC(=O)c2ccc(cc2)N2CCCC2=O)ccc1OCC
- InChi: 1S/C23H28N2O4/c1-3-28-20-12-7-17(16-21(20)29-4-2)13-14-24-23(27)18-8-10-19(11-9-18)25-15-5-6-22(25)26/h7-12,16H,3-6,13-15H2,1-2H3,(H,24,27)
- InChiKey: SBJJYAGNNGJADX-UHFFFAOYSA-N
Network
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Synonyms
- N-[2-(3,4-diethoxyphenyl)ethyl]-4-(2-oxo-1-pyrrolidinyl)benzamide
- N-[2-(3,4-diethoxyphenyl)ethyl]-4-(2-ketopyrrolidin-1-yl)benzamide
- ChemDiv2_006370
- ZINC04991381
- MLS000520250
- IDI1_005085
- SMR000130663
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Rattus norvegicus | Inositol monophosphatase 1 | Starlite/ChEMBL | No references |
| Homo sapiens | lamin A/C | Starlite/ChEMBL | No references |
Predicted pathogen targets for this compound
By orthology
By sequence similarity to non orthologous known druggable targets
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Onchocerca volvulus | 0.0033 | 0.5833 | 0.5 | |
| Wolbachia endosymbiont of Brugia malayi | fructose-1,6-bisphosphatase | 0.0045 | 1 | 0.5 |
| Toxoplasma gondii | inositol(myo)-1(or 4)-monophosphatase 2, putative | 0.0045 | 1 | 0.5 |
| Trypanosoma brucei | inositol-1(or 4)-monophosphatase 1, putative | 0.0045 | 1 | 0.5 |
| Mycobacterium ulcerans | extragenic suppressor protein SuhB | 0.0045 | 1 | 0.5 |
| Echinococcus granulosus | inositol monophosphatase 1 | 0.0045 | 1 | 1 |
| Echinococcus multilocularis | lamin dm0 | 0.0033 | 0.5833 | 0.5833 |
| Onchocerca volvulus | 0.0033 | 0.5833 | 0.5 | |
| Trypanosoma cruzi | myo-inositol-1(or 4)-monophosphatase 1, putative | 0.0045 | 1 | 0.5 |
| Loa Loa (eye worm) | cytoplasmic intermediate filament protein | 0.0017 | 0.0599 | 0.0599 |
| Trichomonas vaginalis | myo inositol monophosphatase, putative | 0.0045 | 1 | 0.5 |
| Mycobacterium leprae | possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). | 0.004 | 0.8382 | 0.5 |
| Echinococcus multilocularis | lamin | 0.0033 | 0.5833 | 0.5833 |
| Loa Loa (eye worm) | intermediate filament protein | 0.0033 | 0.5833 | 0.5833 |
| Echinococcus granulosus | lamin dm0 | 0.0033 | 0.5833 | 0.5833 |
| Brugia malayi | intermediate filament protein | 0.0033 | 0.5833 | 0.5568 |
| Loa Loa (eye worm) | intermediate filament tail domain-containing protein | 0.0033 | 0.5833 | 0.5833 |
| Entamoeba histolytica | myo-inositol monophosphatase, putative | 0.0045 | 1 | 0.5 |
| Trypanosoma cruzi | myo-inositol-1(or 4)-monophosphatase 1, putative | 0.0045 | 1 | 0.5 |
| Mycobacterium tuberculosis | Inositol-1-monophosphatase SuhB | 0.004 | 0.8382 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0032 | 0.5627 | 0.5627 |
| Echinococcus granulosus | lamin | 0.0033 | 0.5833 | 0.5833 |
| Loa Loa (eye worm) | hypothetical protein | 0.0033 | 0.5833 | 0.5833 |
| Schistosoma mansoni | inositol monophosphatase | 0.0045 | 1 | 1 |
| Echinococcus granulosus | intermediate filament protein | 0.0033 | 0.5833 | 0.5833 |
| Brugia malayi | Intermediate filament tail domain containing protein | 0.0033 | 0.5833 | 0.5568 |
| Trichomonas vaginalis | inositol monophosphatase, putative | 0.0045 | 1 | 0.5 |
| Echinococcus multilocularis | musashi | 0.0033 | 0.5833 | 0.5833 |
| Echinococcus multilocularis | inositol monophosphatase 1 | 0.0045 | 1 | 1 |
| Leishmania major | myo-inositol-1(or 4)-monophosphatase 1, putative | 0.0045 | 1 | 0.5 |
| Loa Loa (eye worm) | inositol-1 | 0.0045 | 1 | 1 |
| Schistosoma mansoni | inositol monophosphatase | 0.0045 | 1 | 1 |
| Trichomonas vaginalis | myo inositol monophosphatase, putative | 0.0045 | 1 | 0.5 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | 2.6169 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) | = 5.0119 um | PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 14.1254 um | PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 29.0929 uM | PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] | ChEMBL. | No reference |
| Potency (functional) | 89.1251 uM | PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] | 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: CHEMBL1550534
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.