Detailed information for compound 1233942

Basic information

Technical information
  • TDR Targets ID: 1233942
  • Name: 5-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]me thylamino]-1,3-dihydrobenzimidazol-2-one
  • MW: 369.802 | Formula: C19H16ClN3O3
  • H donors: 3 H acceptors: 1 LogP: 3.4 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1Cl)c1ccc(o1)CNc1ccc2c(c1)[nH]c(=O)[nH]2
  • InChi: 1S/C19H16ClN3O3/c1-25-18-6-2-11(8-14(18)20)17-7-4-13(26-17)10-21-12-3-5-15-16(9-12)23-19(24)22-15/h2-9,21H,10H2,1H3,(H2,22,23,24)
  • InChiKey: POJMAJJTEOZPSW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5-[[5-(3-chloro-4-methoxy-phenyl)-2-furyl]methylamino]-1,3-dihydrobenzimidazol-2-one
  • 5-[[5-(3-chloro-4-methoxyphenyl)-2-furyl]methylamino]-1,3-dihydrobenzimidazol-2-one
  • 5-[[5-(3-chloro-4-methoxy-phenyl)furan-2-yl]methylamino]-1,3-dihydrobenzimidazol-2-one
  • ZINC04973813
  • BAS 15389873
  • D272-0930
  • NCGC00117813-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens tumor protein p53 Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
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
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.6231 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.1208 0.3462
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0486 0.3489 1
Schistosoma mansoni alpha-glucosidase 0.0169 0.0992 0.1592
Loa Loa (eye worm) hypothetical protein 0.006 0.0127 0.0363
Echinococcus granulosus ubiquitin conjugating enzyme E2 N 0.0486 0.3489 0.5599
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0486 0.3489 0.3489
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0486 0.3489 1
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.6231 1
Schistosoma mansoni cellular tumor antigen P53 0.006 0.0127 0.0203
Echinococcus granulosus microtubule associated protein 2 0.0833 0.6231 1
Trypanosoma cruzi Enriched in surface-labeled proteome protein 12 0.1311 1 1
Echinococcus multilocularis ubiquitin conjugating enzyme E2 N 0.0486 0.3489 0.5599
Trypanosoma brucei Enriched in surface-labeled proteome protein 12 0.1311 1 1
Trypanosoma cruzi Enriched in surface-labeled proteome protein 12 0.1311 1 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.1208 0.1939
Trypanosoma brucei hypothetical protein, conserved 0.1311 1 1
Brugia malayi Ubiquitin conjugating enzyme protein 13 0.0486 0.3489 1
Onchocerca volvulus 0.0114 0.0553 1
Leishmania major ubiquitin-conjugating enzyme e2, putative 0.0486 0.3489 1
Schistosoma mansoni alpha-glucosidase 0.0169 0.0992 0.1592
Trypanosoma cruzi Enriched in surface-labeled proteome protein 12 0.1311 1 1
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.1208 0.1939
Trypanosoma cruzi Enriched in surface-labeled proteome protein 12 0.1311 1 1
Trypanosoma brucei ubiquitin-protein ligase, putative 0.0486 0.3489 0.3489
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.1208 0.3462
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0486 0.3489 1
Plasmodium vivax ubiquitin-conjugating enzyme E2 N, putative 0.0486 0.3489 0.5
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0486 0.3489 0.3489
Echinococcus granulosus tumor protein p63 0.0408 0.2875 0.4614
Plasmodium falciparum ubiquitin-conjugating enzyme E2 N, putative 0.0486 0.3489 0.5
Trypanosoma cruzi Enriched in surface-labeled proteome protein 12 0.1311 1 1
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0486 0.3489 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.1208 0.1939
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein 0.0486 0.3489 1
Echinococcus multilocularis tumor protein p63 0.0408 0.2875 0.4614
Schistosoma mansoni ubiquitin conjugating enzyme 13 0.0486 0.3489 0.5599
Brugia malayi ubiquitin conjugating enzyme protein 13 0.0486 0.3489 1
Entamoeba histolytica ubiquitin-conjugating enzyme family protein 0.0486 0.3489 1

Activities

Activity type Activity value Assay description Source Reference
Potency (binding) = 2.2387 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) = 3.1623 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) = 3.5481 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference
Potency (functional) = 7.0795 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 17.7828 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 26.1216 uM PUBCHEM_BIOASSAY: Acumen qHTS Assay for Inhibitors of the mTORC1 Signaling Pathway in MEF (Tsc2-/-, p53-/-) Cells: Sytravon. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2660, AID2666, AID2667, AID2668, AID2681, AID504465] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 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) 79.4328 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
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.

External resources for this compound

Bibliographic References

No literature references available for this target.

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