Detailed information for compound 1248024
Basic information
Technical information
- TDR Targets ID: 1248024
- Name: N-(4-bromophenyl)-N-[(3,4-dimethoxyphenyl)met hyl]furan-2-carboxamide
- MW: 416.265 | Formula: C20H18BrNO4
-
H donors: 0
H acceptors: 1
LogP: 4.47
Rotable bonds: 7
Rule of 5 violations (Lipinski): 1 - SMILES: COc1cc(ccc1OC)CN(C(=O)c1ccco1)c1ccc(cc1)Br
- InChi: 1S/C20H18BrNO4/c1-24-17-10-5-14(12-19(17)25-2)13-22(16-8-6-15(21)7-9-16)20(23)18-4-3-11-26-18/h3-12H,13H2,1-2H3
- InChiKey: MZNNRQRZBGYIET-UHFFFAOYSA-N
Network
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Synonyms
- N-(4-bromophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-2-furancarboxamide
- N-(4-bromophenyl)-N-(3,4-dimethoxybenzyl)-2-furamide
- Oprea1_768324
- Oprea1_163051
- ZINC00873708
- Furan-2-carboxylic acid (4-bromo-phenyl)-(3,4-dimethoxy-benzyl)-amide
- MLS000031377
- SMR000001543
- ASN 01248223
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 |
| Homo sapiens | mitogen-activated protein kinase 1 | Starlite/ChEMBL | No references |
| Homo sapiens | nuclear factor, erythroid 2-like 2 | 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 |
|---|---|---|---|---|
| Echinococcus granulosus | lamin dm0 | 0.0033 | 0.3678 | 0.3678 |
| Mycobacterium tuberculosis | Inositol-1-monophosphatase SuhB | 0.004 | 0.5285 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0033 | 0.3678 | 0.3678 |
| Trypanosoma cruzi | mitogen-activated protein kinase 11, putative | 0.0062 | 1 | 1 |
| Loa Loa (eye worm) | intermediate filament protein | 0.0033 | 0.3678 | 0.3678 |
| Echinococcus multilocularis | musashi | 0.0033 | 0.3678 | 0.3678 |
| Trichomonas vaginalis | CMGC family protein kinase | 0.0062 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0032 | 0.3548 | 0.3548 |
| Echinococcus granulosus | intermediate filament protein | 0.0033 | 0.3678 | 0.3678 |
| Onchocerca volvulus | 0.0033 | 0.3678 | 0.5 | |
| Trichomonas vaginalis | CMGC family protein kinase | 0.0062 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0043 | 0.6052 | 0.5898 |
| Brugia malayi | Inositol-1 | 0.0045 | 0.6305 | 0.616 |
| Schistosoma mansoni | inositol monophosphatase | 0.0045 | 0.6305 | 0.4155 |
| Schistosoma mansoni | serine/threonine protein kinase | 0.0062 | 1 | 1 |
| Echinococcus granulosus | inositol monophosphatase 1 | 0.0045 | 0.6305 | 0.6305 |
| Toxoplasma gondii | CMGC kinase, MAPK family (ERK) MAPK-1 | 0.0062 | 1 | 1 |
| Echinococcus multilocularis | mitogen activated protein kinase 3 | 0.0062 | 1 | 1 |
| Trypanosoma brucei | protein kinase, putative | 0.0062 | 1 | 1 |
| Trichomonas vaginalis | CMGC family protein kinase | 0.0062 | 1 | 1 |
| Trypanosoma cruzi | mitogen activated protein kinase 4, putative | 0.0062 | 1 | 1 |
| Echinococcus granulosus | lamin | 0.0033 | 0.3678 | 0.3678 |
| Trichomonas vaginalis | CMGC family protein kinase | 0.0062 | 1 | 1 |
| Brugia malayi | intermediate filament protein | 0.0033 | 0.3678 | 0.343 |
| Mycobacterium ulcerans | extragenic suppressor protein SuhB | 0.0045 | 0.6305 | 0.5 |
| Loa Loa (eye worm) | CMGC/MAPK/ERK1 protein kinase | 0.0062 | 1 | 1 |
| Entamoeba histolytica | myo-inositol monophosphatase, putative | 0.0045 | 0.6305 | 1 |
| Loa Loa (eye worm) | intermediate filament tail domain-containing protein | 0.0033 | 0.3678 | 0.3678 |
| Schistosoma mansoni | transcription factor LCR-F1 | 0.0043 | 0.6052 | 0.3756 |
| Leishmania major | mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 | 0.0062 | 1 | 1 |
| Echinococcus multilocularis | lamin dm0 | 0.0033 | 0.3678 | 0.3678 |
| Schistosoma mansoni | inositol monophosphatase | 0.0045 | 0.6305 | 0.4155 |
| Trypanosoma cruzi | mitogen activated protein kinase 2, putative | 0.0062 | 1 | 1 |
| Echinococcus granulosus | Basic leucine zipper bZIP transcription | 0.0043 | 0.6052 | 0.6052 |
| Giardia lamblia | Kinase, CMGC MAPK | 0.0062 | 1 | 0.5 |
| Loa Loa (eye worm) | cytoplasmic intermediate filament protein | 0.0017 | 0.0377 | 0.0377 |
| Trypanosoma cruzi | mitogen-activated protein kinase 11, putative | 0.0062 | 1 | 1 |
| Leishmania major | mitogen activated protein kinase, putative,map kinase, putative | 0.0062 | 1 | 1 |
| Onchocerca volvulus | 0.0033 | 0.3678 | 0.5 | |
| Echinococcus multilocularis | Basic leucine zipper (bZIP) transcription | 0.0043 | 0.6052 | 0.6052 |
| Loa Loa (eye worm) | inositol-1 | 0.0045 | 0.6305 | 0.6305 |
| Trypanosoma brucei | mitogen activated protein kinase 4, putative | 0.0062 | 1 | 1 |
| Echinococcus granulosus | mitogen activated protein kinase | 0.0062 | 1 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0043 | 0.6052 | 0.3756 |
| Mycobacterium leprae | possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). | 0.004 | 0.5285 | 0.5 |
| Echinococcus multilocularis | lamin | 0.0033 | 0.3678 | 0.3678 |
| Wolbachia endosymbiont of Brugia malayi | fructose-1,6-bisphosphatase | 0.0045 | 0.6305 | 0.5 |
| Echinococcus granulosus | mitogen activated protein kinase 3 | 0.0062 | 1 | 1 |
| Echinococcus multilocularis | mitogen activated protein kinase | 0.0062 | 1 | 1 |
| Echinococcus multilocularis | inositol monophosphatase 1 | 0.0045 | 0.6305 | 0.6305 |
| Brugia malayi | Intermediate filament tail domain containing protein | 0.0033 | 0.3678 | 0.343 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | = 0.7943 um | PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 2.9093 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) | = 7.9433 um | PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 9.285 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) | = 15.8489 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 23.1093 uM | PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] | ChEMBL. | No reference |
| Potency (functional) | = 31.6228 um | PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 31.6228 um | PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 31.6228 um | PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Permissive Temperature. (Class of assay: confirmatory) [Related pubchem assays: 902 ] | ChEMBL. | No reference |
| Potency (functional) | 31.6228 uM | PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 39.8107 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 39.8107 um | PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] | ChEMBL. | No reference |
| Potency (functional) | 56.2341 uM | PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 79.4328 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] | ChEMBL. | No reference |
| Potency (functional) | 79.4328 uM | PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (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: CHEMBL1330662
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.