Detailed information for compound 1272340

Basic information

Technical information
  • TDR Targets ID: 1272340
  • Name: 6-oxobenzo[c]chromene-10-carboxamide
  • MW: 239.226 | Formula: C14H9NO3
  • H donors: 1 H acceptors: 2 LogP: 1.91 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=O)c1cccc2c1c1ccccc1oc2=O
  • InChi: 1S/C14H9NO3/c15-13(16)9-5-3-6-10-12(9)8-4-1-2-7-11(8)18-14(10)17/h1-7H,(H2,15,16)
  • InChiKey: WSVCWCFPGVDIGZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-oxo-10-benzo[c]chromenecarboxamide
  • 6-ketobenzo[c]chromene-10-carboxamide
  • 6-oxo-6H-benzo[c]chromene-10-carboxamide
  • MLS000063722
  • SMR000075473
  • SDCCGMLS-0044343.P002
  • ChemDiv2_002086
  • ZINC00577532

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens galactosidase, alpha Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 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) hypothetical protein Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Echinococcus multilocularis 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
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
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
Schistosoma japonicum Alpha-N-acetylgalactosaminidase, putative Get druggable targets OG5_127620 All targets in OG5_127620
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Neospora caninum hypothetical protein Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Toxoplasma gondii melibiase subfamily protein Get druggable targets OG5_127620 All targets in OG5_127620
Echinococcus multilocularis Alpha N acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum Alpha-N-acetylgalactosaminidase, putative Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Loa Loa (eye worm) RNA 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 mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K01204 alpha-N-acetylgalactosaminidase [EC3.2.1.49], putative Get druggable targets OG5_127620 All targets in OG5_127620
Brugia malayi TAR-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
Schistosoma japonicum expressed protein Get druggable targets OG5_127620 All targets in OG5_127620
Echinococcus multilocularis Glycoside hydrolase, family 27 Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Brugia malayi Melibiase family protein Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma japonicum TAR DNA-binding protein 43, putative 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 granulosus Alpha N acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum Alpha-N-acetylgalactosaminidase, putative Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma japonicum Alpha-N-acetylgalactosaminidase precursor, putative Get druggable targets OG5_127620 All targets in OG5_127620
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0 0.5
Brugia malayi Melibiase family protein 0.0082 0.2186 0.4137
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0146 0.5284 0.8249
Loa Loa (eye worm) RNA binding protein 0.0076 0.1893 0.3582
Trypanosoma brucei hypothetical protein, conserved 0.0038 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0 0.5
Mycobacterium ulcerans lipase LipD 0.0038 0 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0146 0.5284 0.8249
Loa Loa (eye worm) TAR-binding protein 0.0076 0.1893 0.3582
Mycobacterium leprae Probable lipase LipE 0.0038 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1893 0.2955
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0146 0.5284 1
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.1893 0.3582
Mycobacterium ulcerans hypothetical protein 0.0038 0 0.5
Brugia malayi TAR-binding protein 0.0076 0.1893 0.3582
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0038 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1893 0.2955
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0146 0.5284 0.8249
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1893 0.2955
Echinococcus multilocularis tar DNA binding protein 0.0076 0.1893 0.2955
Leishmania major hypothetical protein, conserved 0.0038 0 0.5
Mycobacterium leprae conserved hypothetical protein 0.0038 0 0.5
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0124 0.4206 0.6565
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0124 0.4206 0.6565
Echinococcus granulosus geminin 0.0169 0.6406 1
Echinococcus granulosus tar DNA binding protein 0.0076 0.1893 0.2955
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0082 0.2186 0.3413
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0146 0.5284 1
Onchocerca volvulus 0.0038 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0146 0.5284 0.8249
Schistosoma mansoni hypothetical protein 0.0169 0.6406 1
Plasmodium vivax hypothetical protein, conserved 0.0038 0 0.5
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0124 0.4206 0.6565
Mycobacterium ulcerans beta-lactamase 0.0038 0 0.5
Onchocerca volvulus 0.0038 0 0.5
Onchocerca volvulus 0.0038 0 0.5
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0082 0.2186 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0082 0.2186 0.3413
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0124 0.4206 0.6565
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1893 0.2955
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0146 0.5284 0.8249
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.1893 0.3582
Mycobacterium ulcerans esterase/lipase LipP 0.0038 0 0.5
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0124 0.4206 0.6565
Schistosoma mansoni hypothetical protein 0.0169 0.6406 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0124 0.4206 0.6565
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0146 0.5284 0.8249
Loa Loa (eye worm) hypothetical protein 0.0082 0.2186 0.4137
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0146 0.5284 0.8249
Brugia malayi RNA binding protein 0.0076 0.1893 0.3582
Toxoplasma gondii melibiase subfamily protein 0.0124 0.4206 1
Echinococcus multilocularis geminin 0.0169 0.6406 1
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0124 0.4206 0.6565
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1893 0.2955

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.7943 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Galactosidase From Spleen Homogenate. (Class of assay: confirmatory) [Related pubchem assays: 1472, 1467 ] ChEMBL. No reference
Potency (functional) 3.5481 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS Assay to Find Inhibitors of Phosphoglycerate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (binding) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] 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

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.

External resources for this compound

Bibliographic References

No literature references available for this target.

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