Detailed information for compound 1319668

Basic information

Technical information
  • TDR Targets ID: 1319668
  • Name: (3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]ch romen-2-yl) furan-2-carboxylate
  • MW: 324.327 | Formula: C19H16O5
  • H donors: 0 H acceptors: 2 LogP: 4.02 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cc2oc(=O)c3c(c2cc1OC(=O)c1ccco1)CCCC3
  • InChi: 1S/C19H16O5/c1-11-9-17-14(12-5-2-3-6-13(12)18(20)24-17)10-16(11)23-19(21)15-7-4-8-22-15/h4,7-10H,2-3,5-6H2,1H3
  • InChiKey: SELQTZKWLFMLCX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-furancarboxylic acid (3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-2-yl) ester
  • furan-2-carboxylic acid (6-keto-3-methyl-7,8,9,10-tetrahydrobenzo[c]chromen-2-yl) ester
  • MLS000050918
  • SMR000078628
  • ST5326805
  • ZINC01050212
  • 3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-2-yl 2-furoate

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
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
Toxoplasma gondii diacylglycerol kinase, putative 0.0086 0 0.5
Leishmania major sphingosine kinase A, B, putative 0.0086 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0286 0.0947 0.0947
Echinococcus multilocularis sphingosine kinase 1 0.2197 1 1
Mycobacterium ulcerans hypothetical protein 0.2197 1 1
Leishmania major hypothetical protein, conserved 0.0086 0 0.5
Plasmodium vivax diacylglycerol kinase, putative 0.0086 0 0.5
Trypanosoma brucei Diacylglycerol kinase catalytic domain containing protein, putative 0.0086 0 0.5
Trypanosoma brucei Sphingosine kinase 0.0086 0 0.5
Trichomonas vaginalis diacylglycerol kinase, putative 0.0086 0 0.5
Trypanosoma cruzi Diacylglycerol kinase catalytic domain containing protein, putative 0.0086 0 0.5
Trichomonas vaginalis diacylglycerol kinase, epsilon, putative 0.0086 0 0.5
Trichomonas vaginalis diacylglycerol kinase, zeta, iota, putative 0.0086 0 0.5
Loa Loa (eye worm) hypothetical protein 0.2197 1 1
Mycobacterium tuberculosis Conserved protein 0.2197 1 1
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.0947 0.0947
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.0947 0.0947
Entamoeba histolytica hypothetical protein, conserved 0.2197 1 1
Trichomonas vaginalis bmru protein, putative 0.0086 0 0.5
Trichomonas vaginalis bmru protein, putative 0.0086 0 0.5
Plasmodium falciparum diacylglycerol kinase, putative 0.0086 0 0.5
Trichomonas vaginalis diacylglycerol kinase, putative 0.0086 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0086 0 0.5
Schistosoma mansoni sphingoid long chain base kinase 0.2197 1 1
Trypanosoma cruzi diacylglycerol kinase-like protein, putative 0.0086 0 0.5
Toxoplasma gondii diacylglycerol kinase accessory domain (presumed) domain-containing protein 0.0086 0 0.5
Trichomonas vaginalis sphingosine kinase, putative 0.0086 0 0.5
Brugia malayi hypothetical protein 0.0286 0.0947 1
Trichomonas vaginalis conserved hypothetical protein 0.0086 0 0.5
Onchocerca volvulus Ceramide kinase 1 homolog 0.0086 0 0.5
Trypanosoma cruzi diacylglycerol kinase-like protein, putative 0.0086 0 0.5
Trypanosoma cruzi diacylglycerol kinase, putative 0.0086 0 0.5
Trypanosoma cruzi Sphingosine kinase 0.0086 0 0.5
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.4233 0.4233
Schistosoma mansoni sphingosine kinase A B 0.2197 1 1
Trypanosoma brucei hypothetical protein, conserved 0.0086 0 0.5
Trichomonas vaginalis sphingosine kinase, putative 0.0086 0 0.5
Trypanosoma brucei diacylglycerol kinase, putative 0.0086 0 0.5
Leishmania major diacylglycerol kinase, putative 0.0086 0 0.5
Trypanosoma cruzi diacylglycerol kinase, putative 0.0086 0 0.5
Toxoplasma gondii diacylglycerol kinase catalytic domain-containing protein 0.0086 0 0.5
Trichomonas vaginalis diacylglycerol kinase, zeta, iota, putative 0.0086 0 0.5
Onchocerca volvulus 0.0086 0 0.5
Leishmania major diacylglycerol kinase-like protein 0.0086 0 0.5
Plasmodium vivax diacylglycerol kinase, putative 0.0086 0 0.5
Plasmodium falciparum diacylglycerol kinase, putative 0.0086 0 0.5
Leishmania major hypothetical protein, conserved 0.0086 0 0.5
Trypanosoma cruzi Sphingosine kinase 0.0086 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10.4179 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) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 16.3601 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) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 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) 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

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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