Detailed information for compound 1415520
Basic information
Technical information
- TDR Targets ID: 1415520
- Name: N,N'-bis(furan-2-ylmethyl)thiophene-2,5-dicar boxamide
- MW: 330.358 | Formula: C16H14N2O4S
-
H donors: 2
H acceptors: 2
LogP: 2.01
Rotable bonds: 8
Rule of 5 violations (Lipinski): 1 - SMILES: O=C(c1ccc(s1)C(=O)NCc1ccco1)NCc1ccco1
- InChi: 1S/C16H14N2O4S/c19-15(17-9-11-3-1-7-21-11)13-5-6-14(23-13)16(20)18-10-12-4-2-8-22-12/h1-8H,9-10H2,(H,17,19)(H,18,20)
- InChiKey: BAUSLVZPMPHTHQ-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- N,N'-bis(2-furylmethyl)thiophene-2,5-dicarboxamide
- MLS000568999
- SMR000150009
- ZINC03178705
- Oprea1_752718
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | ataxin 2 | Starlite/ChEMBL | No references |
| Homo sapiens | polo-like kinase 1 | Starlite/ChEMBL | No references |
| Rattus norvegicus | Inositol monophosphatase 1 | 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 |
|---|---|---|---|---|
| Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 0.8001 | 1 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 0.8001 | 1 |
| Giardia lamblia | Kinase, PLK | 0.0114 | 0.8001 | 0.5 |
| Echinococcus multilocularis | serine:threonine protein kinase PLK1 | 0.0114 | 0.8001 | 1 |
| Plasmodium falciparum | ataxin-2 like protein, putative | 0.003 | 0 | 0.5 |
| Loa Loa (eye worm) | inositol-1 | 0.0045 | 0.1355 | 0.1694 |
| Trypanosoma cruzi | 3-Beta-hydroxysteroid-delta(8), delta(7)-isomerase, putative | 0.0135 | 1 | 1 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 0.8001 | 1 |
| Trypanosoma cruzi | Emopamil binding protein, putative | 0.0135 | 1 | 1 |
| Leishmania major | 3-Beta-hydroxysteroid-delta(8), delta(7)-isomerase, putative | 0.0135 | 1 | 1 |
| Mycobacterium leprae | possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). | 0.004 | 0.0908 | 0.5 |
| Trypanosoma cruzi | 3-Beta-hydroxysteroid-delta(8), delta(7)-isomerase, putative | 0.0135 | 1 | 1 |
| Mycobacterium ulcerans | extragenic suppressor protein SuhB | 0.0045 | 0.1355 | 0.5 |
| Brugia malayi | serine/threonine-protein kinase plk-2 | 0.0114 | 0.8001 | 1 |
| Brugia malayi | Inositol-1 | 0.0045 | 0.1355 | 0.1694 |
| Mycobacterium tuberculosis | Inositol-1-monophosphatase SuhB | 0.004 | 0.0908 | 0.5 |
| Trypanosoma cruzi | Emopamil binding protein, putative | 0.0135 | 1 | 1 |
| Plasmodium vivax | ataxin-2 like protein, putative | 0.003 | 0 | 0.5 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.0056 | 0.249 | 0.1708 |
| Leishmania major | protein kinase, putative,polo-like protein kinase, putative | 0.0114 | 0.8001 | 0.8001 |
| Loa Loa (eye worm) | PLK/PLK1 protein kinase | 0.0114 | 0.8001 | 1 |
| Toxoplasma gondii | inositol(myo)-1(or 4)-monophosphatase 2, putative | 0.0045 | 0.1355 | 1 |
| Onchocerca volvulus | 0.0135 | 1 | 1 | |
| Trypanosoma cruzi | polo-like protein kinase, putative | 0.0114 | 0.8001 | 0.8001 |
| Entamoeba histolytica | serine/threonine protein kinase, putative | 0.0114 | 0.8001 | 1 |
| Schistosoma mansoni | serine/threonine protein kinase | 0.0114 | 0.8001 | 1 |
| Trypanosoma brucei | inositol-1(or 4)-monophosphatase 1, putative | 0.0045 | 0.1355 | 0.1355 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.0056 | 0.249 | 0.1708 |
| Echinococcus granulosus | serine:threonine protein kinase PLK1 | 0.0114 | 0.8001 | 1 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 0.8001 | 1 |
| Trypanosoma brucei | polo-like protein kinase | 0.0114 | 0.8001 | 0.8001 |
| Plasmodium falciparum | ataxin-2 like protein, putative | 0.003 | 0 | 0.5 |
| Leishmania major | myo-inositol-1(or 4)-monophosphatase 1, putative | 0.0045 | 0.1355 | 0.1355 |
| Trypanosoma cruzi | myo-inositol-1(or 4)-monophosphatase 1, putative | 0.0045 | 0.1355 | 0.1355 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 0.8001 | 1 |
| Wolbachia endosymbiont of Brugia malayi | fructose-1,6-bisphosphatase | 0.0045 | 0.1355 | 0.5 |
| Trypanosoma cruzi | myo-inositol-1(or 4)-monophosphatase 1, putative | 0.0045 | 0.1355 | 0.1355 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 0.8001 | 1 |
| Trypanosoma brucei | Emopamil binding protein, putative | 0.0135 | 1 | 1 |
| Trypanosoma cruzi | polo-like protein kinase, putative | 0.0114 | 0.8001 | 0.8001 |
| Schistosoma mansoni | kinase | 0.0058 | 0.2634 | 0.1925 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 0.8001 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | = 0.1259 um | PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 10 uM | PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 10.6213 uM | PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 28.1838 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] | ChEMBL. | No reference |
| Potency (functional) | 28.1838 uM | PubChem BioAssay. qHTS of Trypanosoma Brucei Inhibitors. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 56.2341 um | PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] | 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.
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: CHEMBL1573339
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.