Detailed information for compound 1207870

Basic information

Technical information
  • TDR Targets ID: 1207870
  • Name: N-[1-[(2-methoxyphenyl)amino]-2-oxo-2-phenyle thyl]furan-2-carboxamide
  • MW: 350.368 | Formula: C20H18N2O4
  • H donors: 2 H acceptors: 2 LogP: 4.34 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1NC(C(=O)c1ccccc1)NC(=O)c1ccco1
  • InChi: 1S/C20H18N2O4/c1-25-16-11-6-5-10-15(16)21-19(18(23)14-8-3-2-4-9-14)22-20(24)17-12-7-13-26-17/h2-13,19,21H,1H3,(H,22,24)
  • InChiKey: BDGJRDAIPAFMMJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[1-[(2-methoxyphenyl)amino]-2-oxo-2-phenyl-ethyl]furan-2-carboxamide
  • N-[1-[(2-methoxyphenyl)amino]-2-oxo-2-phenylethyl]-2-furancarboxamide
  • N-[2-keto-1-[(2-methoxyphenyl)amino]-2-phenyl-ethyl]-2-furamide
  • BIM-0023022.P001
  • Oprea1_614158
  • Furan-2-carboxylic acid [1-(2-methoxy-phenylamino)-2-oxo-2-phenyl-ethyl]-amide
  • BAS 00776888
  • MLS000107159
  • SMR000111531
  • Oprea1_568940
  • ST5239967
  • CBMicro_022794

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens thyroid stimulating hormone receptor Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
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
Onchocerca volvulus 0.004 0.0881 1
Plasmodium falciparum thioredoxin reductase 0.003 0.0495 0.1748
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.1286 0.1253
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.003 0.0495 1
Echinococcus multilocularis lipoxygenase domain containing protein 0.004 0.0881 0.1232
Echinococcus granulosus Protein patched homolog 1 0.0043 0.0991 0.1416
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0177 0.6076 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.136 0.1327
Echinococcus multilocularis lipoxygenase domain containing protein 0.004 0.0881 0.1232
Brugia malayi hypothetical protein 0.004 0.0881 0.0741
Loa Loa (eye worm) hypothetical protein 0.004 0.0881 0.0847
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.003 0.0495 0.0942
Echinococcus multilocularis protein dispatched 1 0.0049 0.1223 0.1808
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.027 0.035
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.003 0.0495 1
Trypanosoma cruzi trypanothione reductase, putative 0.0087 0.2656 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0021 0.0152 0.0114
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.027 0.035
Echinococcus multilocularis sterol regulatory element binding protein 0.0043 0.0991 0.1416
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.027 0.5088
Loa Loa (eye worm) RNA binding protein 0.0076 0.2262 0.2233
Plasmodium vivax glutathione reductase, putative 0.0087 0.2656 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0021 0.0152 0.0114
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2262 0.2162
Schistosoma mansoni hypothetical protein 0.0042 0.0932 0.0799
Loa Loa (eye worm) hypothetical protein 0.0021 0.0152 0.0114
Onchocerca volvulus 0.0024 0.027 0.1628
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0021 0.0152 0.0114
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0198 0.6892 0.8912
Brugia malayi hypothetical protein 0.004 0.0881 0.0741
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.003 0.0495 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.1286 0.1152
Plasmodium falciparum glutathione reductase 0.0087 0.2656 1
Schistosoma mansoni hypothetical protein 0.004 0.0881 0.0747
Loa Loa (eye worm) hypothetical protein 0.0024 0.027 0.0234
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.003 0.0495 1
Brugia malayi Niemann-Pick C1 protein precursor 0.01 0.3174 0.3069
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0022 0.0191 0.004
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.003 0.0495 0.1748
Loa Loa (eye worm) thioredoxin reductase 0.0087 0.2656 0.2628
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0022 0.0191 0.004
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.1286 0.1152
Schistosoma mansoni polycystin 1-related 0.004 0.0881 0.0747
Trypanosoma brucei trypanothione reductase 0.0087 0.2656 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0152 0.0114
Plasmodium falciparum glutathione reductase 0.003 0.0495 0.1748
Loa Loa (eye worm) doublecortin family protein 0.004 0.0881 0.0847
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.027 0.5088
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0021 0.0152 0.0114
Schistosoma mansoni rab6-interacting 0.004 0.0881 0.0747
Echinococcus multilocularis thioredoxin glutathione reductase 0.0087 0.2676 0.426
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0198 0.6892 0.8912
Echinococcus multilocularis RUN 0.004 0.0881 0.1232
Leishmania major dihydrolipoamide dehydrogenase, putative 0.003 0.0495 0.0942
Echinococcus granulosus RUN 0.004 0.0881 0.1232
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0021 0.0152 0.0114
Giardia lamblia NADH oxidase lateral transfer candidate 0.003 0.0495 0.5
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.003 0.0495 0.1748
Schistosoma mansoni rab6-interacting 0.004 0.0881 0.0747
Loa Loa (eye worm) hypothetical protein 0.0024 0.027 0.0234
Brugia malayi glutathione reductase 0.0087 0.2656 0.2543
Schistosoma mansoni loxhd1 0.004 0.0881 0.0747
Loa Loa (eye worm) glutathione reductase 0.0087 0.2656 0.2628
Schistosoma mansoni hypothetical protein 0.0042 0.0932 0.0799
Brugia malayi Thioredoxin reductase 0.0087 0.2656 0.2543
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.022 0.7734 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0198 0.6892 0.8872
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.003 0.0495 0.0349
Leishmania major acetoin dehydrogenase e3 component-like protein 0.003 0.0495 0.0942
Loa Loa (eye worm) hypothetical protein 0.0021 0.0152 0.0114
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.2262 0.2233
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.027 0.5088
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0991 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0881 0.0847
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.027 0.5088
Brugia malayi RNA binding protein 0.0076 0.2262 0.2143
Loa Loa (eye worm) hypothetical protein 0.0021 0.0152 0.0114
Loa Loa (eye worm) hypothetical protein 0.0021 0.0152 0.0114
Echinococcus granulosus thioredoxin glutathione reductase 0.0087 0.2676 0.426
Loa Loa (eye worm) hypothetical protein 0.0024 0.027 0.0234
Echinococcus granulosus Niemann Pick C1 protein 0.01 0.3174 0.5102
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.003 0.0495 0.064
Loa Loa (eye worm) steroid hormone receptor 0.0021 0.0152 0.0114
Loa Loa (eye worm) follicle stimulating hormone receptor 0.028 1 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0673 0.0638
Brugia malayi TAR-binding protein 0.0076 0.2262 0.2143
Mycobacterium tuberculosis Probable reductase 0.0198 0.6892 0.8912
Plasmodium falciparum thioredoxin reductase 0.0087 0.2656 1
Brugia malayi AMP-binding enzyme family protein 0.0024 0.027 0.0121
Echinococcus granulosus sterol regulatory element binding protein 0.0043 0.0991 0.1416
Echinococcus granulosus lipoxygenase domain containing protein 0.004 0.0881 0.1232
Echinococcus multilocularis tar DNA binding protein 0.0076 0.2262 0.3563
Schistosoma mansoni lipoxygenase 0.0177 0.6076 0.6069
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.003 0.0495 0.5
Schistosoma mansoni hypothetical protein 0.0035 0.0673 0.0534
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.003 0.0495 0.1748
Treponema pallidum NADH oxidase 0.003 0.0495 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2262 0.2162
Echinococcus multilocularis Niemann Pick C1 protein 0.0144 0.4816 0.7872
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2262 0.2162
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0087 0.2656 0.3434
Plasmodium vivax multidomain scavenger receptor, putative 0.004 0.0881 0.3222
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2262 0.2162
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.027 0.5088
Brugia malayi CHE-14 protein 0.0043 0.0991 0.0852
Mycobacterium ulcerans hypothetical protein 0.0024 0.027 0.5088
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.01 0.3174 1
Mycobacterium tuberculosis Probable oxidoreductase 0.022 0.7734 1
Echinococcus granulosus expressed conserved protein 0.0094 0.2942 0.471
Mycobacterium tuberculosis Probable dehydrogenase 0.0198 0.6892 0.8912
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0102 0.3233 0.3157
Leishmania major dihydrolipoamide dehydrogenase, putative 0.003 0.0495 0.0942
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0038 0.0049
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0177 0.6076 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0198 0.6892 0.8912
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0021 0.0152 0.0114
Schistosoma mansoni hypothetical protein 0.0042 0.0932 0.0799
Loa Loa (eye worm) hypothetical protein 0.0043 0.0991 0.0957
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.003 0.0495 0.058
Schistosoma mansoni hypothetical protein 0.0042 0.0932 0.0799
Echinococcus granulosus lipoxygenase domain containing protein 0.004 0.0881 0.1232
Loa Loa (eye worm) hypothetical protein 0.01 0.3174 0.3148
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.027 0.5088
Echinococcus granulosus Polycystic kidney disease protein 0.004 0.0881 0.1232
Brugia malayi AMP-binding enzyme family protein 0.0024 0.027 0.0121
Echinococcus multilocularis Niemann Pick C1 protein 0.01 0.3174 0.5102
Plasmodium falciparum LCCL domain-containing protein 0.004 0.0881 0.3222
Loa Loa (eye worm) hypothetical protein 0.0051 0.1286 0.1253
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.003 0.0495 0.1748
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0198 0.6892 0.8912
Schistosoma mansoni lipoxygenase 0.0104 0.3319 0.3244
Plasmodium vivax thioredoxin reductase, putative 0.0087 0.2656 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0152 0.0114
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.003 0.0495 0.0352
Echinococcus multilocularis Polycystic kidney disease protein 0.004 0.0881 0.1232
Mycobacterium ulcerans flavoprotein disulfide reductase 0.003 0.0495 1
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0043 0.0991 0.0957
Onchocerca volvulus 0.004 0.0881 1
Schistosoma mansoni patched 1 0.0043 0.0991 0.086
Loa Loa (eye worm) hypothetical protein 0.0021 0.0152 0.0114
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.027 0.5088
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2262 0.2162
Brugia malayi Cytochrome P450 family protein 0.005 0.1244 0.111
Brugia malayi AMP-binding enzyme family protein 0.0024 0.027 0.0121
Echinococcus granulosus tar DNA binding protein 0.0076 0.2262 0.3563
Brugia malayi Doublecortin family protein 0.004 0.0881 0.0741
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.003 0.0495 0.058
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.022 0.7734 1
Loa Loa (eye worm) cytochrome P450 family protein 0.005 0.1244 0.1211
Leishmania major trypanothione reductase 0.0087 0.2656 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0021 0.0152 0.0114
Loa Loa (eye worm) hypothetical protein 0.0021 0.0152 0.0114
Toxoplasma gondii thioredoxin reductase 0.0087 0.2656 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.022 0.7734 1
Echinococcus multilocularis protein patched 0.0043 0.0991 0.1416
Echinococcus multilocularis expressed conserved protein 0.0094 0.2942 0.471
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.2262 0.2143
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0673 0.053
Loa Loa (eye worm) TAR-binding protein 0.0076 0.2262 0.2233
Echinococcus granulosus Niemann Pick C1 protein 0.0144 0.4816 0.7872

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.3981 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.6511 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) 3.1623 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.1093 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 25.1189 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] 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) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 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.

External resources for this compound

Bibliographic References

No literature references available for this target.

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