Detailed information for compound 1512529

Basic information

Technical information
  • TDR Targets ID: 1512529
  • Name: (3-diethylamino-2,2-dimethylpropyl) 3-methyl- 1-benzofuran-2-carboxylate
  • MW: 317.423 | Formula: C19H27NO3
  • H donors: 0 H acceptors: 1 LogP: 4.84 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(CC(COC(=O)c1oc2c(c1C)cccc2)(C)C)CC
  • InChi: 1S/C19H27NO3/c1-6-20(7-2)12-19(4,5)13-22-18(21)17-14(3)15-10-8-9-11-16(15)23-17/h8-11H,6-7,12-13H2,1-5H3
  • InChiKey: RZCCOMQEHBOSKB-UHFFFAOYSA-N  

Network

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Synonyms

  • (3-diethylamino-2,2-dimethyl-propyl) 3-methylbenzofuran-2-carboxylate
  • 3-methyl-2-benzofurancarboxylic acid (3-diethylamino-2,2-dimethylpropyl) ester
  • 3-methylbenzofuran-2-carboxylic acid (3-diethylamino-2,2-dimethyl-propyl) ester
  • (3-diethylamino-2,2-dimethyl-propyl) 3-methyl-1-benzofuran-2-carboxylate
  • AG-690/40111113
  • STOCK3S-18949

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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 hemicentin 0.0061 0.1617 0.1928
Schistosoma mansoni cell adhesion molecule 0.0077 0.3678 0.4387
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0061 0.1617 0.2557
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0077 0.3678 0.3678
Schistosoma mansoni nephrin 0.0077 0.3678 0.4387
Brugia malayi Immunoglobulin I-set domain containing protein 0.0061 0.1617 0.2557
Brugia malayi protein unc-22 0.0061 0.1617 0.2557
Onchocerca volvulus 0.0061 0.1617 1
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0077 0.3678 0.5817
Echinococcus granulosus roundabout 2 0.0077 0.3678 0.3678
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0065 0.2061 0.326
Echinococcus multilocularis contactin neuroglian septate junction protein 0.0077 0.3678 0.3678
Schistosoma mansoni titin 0.0061 0.1617 0.1928
Brugia malayi hypothetical protein 0.0097 0.6322 1
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0064 0.1917 0.1917
Echinococcus granulosus contactin 0.0077 0.3678 0.3678
Loa Loa (eye worm) hypothetical protein 0.0097 0.6322 1
Schistosoma mansoni nephrin 0.0109 0.7939 0.947
Echinococcus multilocularis transfer RNA-Phe 0.0061 0.1617 0.1617
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0061 0.1617 0.2557
Onchocerca volvulus 0.0061 0.1617 1
Schistosoma mansoni titin 0.0061 0.1617 0.1928
Brugia malayi Immunoglobulin I-set domain containing protein 0.0065 0.2061 0.326
Loa Loa (eye worm) hypothetical protein 0.0097 0.6322 1
Schistosoma mansoni cell adhesion molecule 0.0112 0.8383 1
Loa Loa (eye worm) CAMK protein kinase 0.0061 0.1617 0.2557
Echinococcus multilocularis titin 0.0061 0.1617 0.1617
Schistosoma mansoni cell adhesion molecule 0.0061 0.1617 0.1928
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0061 0.1617 0.2557
Loa Loa (eye worm) hypothetical protein 0.0075 0.3482 0.5507
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0077 0.3678 0.3678
Brugia malayi Immunoglobulin I-set domain containing protein 0.0061 0.1617 0.2557
Brugia malayi Immunoglobulin I-set domain containing protein 0.0078 0.3782 0.5982
Schistosoma mansoni hypothetical protein 0.0061 0.1617 0.1928
Brugia malayi Immunoglobulin I-set domain containing protein 0.0077 0.3678 0.5817
Brugia malayi Immunoglobulin I-set domain containing protein 0.0061 0.1617 0.2557
Brugia malayi Immunoglobulin I-set domain containing protein 0.0061 0.1617 0.2557
Loa Loa (eye worm) hypothetical protein 0.0075 0.3482 0.5507
Brugia malayi Immunoglobulin I-set domain containing protein 0.0077 0.3678 0.5817
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0063 0.1865 0.1865
Brugia malayi Fibronectin type III domain containing protein 0.0097 0.6322 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.1865 0.295
Brugia malayi Immunoglobulin I-set domain containing protein 0.0061 0.1617 0.2557
Echinococcus granulosus neuroglian 0.0077 0.3678 0.3678
Loa Loa (eye worm) hypothetical protein 0.0077 0.3678 0.5817
Echinococcus granulosus twitchin 0.006 0.1421 0.1421
Loa Loa (eye worm) hypothetical protein 0.0061 0.1617 0.2557
Echinococcus granulosus titin 0.0061 0.1617 0.1617
Echinococcus multilocularis neuroglian 0.0077 0.3678 0.3678
Echinococcus granulosus nephrin 0.0061 0.1617 0.1617
Brugia malayi Immunoglobulin I-set domain containing protein 0.0061 0.1617 0.2557
Echinococcus granulosus roundabout 2 0.0077 0.3678 0.3678
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0078 0.3782 0.5982
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0061 0.1617 0.2557
Echinococcus granulosus Down syndrome cell adhesion molecule 0.0065 0.2061 0.2061
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0077 0.3678 0.3678
Echinococcus granulosus titin 0.0061 0.1617 0.1617
Echinococcus multilocularis roundabout 2 0.0077 0.3678 0.3678
Loa Loa (eye worm) projectin 0.0061 0.1617 0.2557
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0064 0.1917 0.1917
Schistosoma mansoni neuroglian 0.0077 0.3678 0.4387
Loa Loa (eye worm) hypothetical protein 0.0097 0.6322 1
Echinococcus multilocularis neuroglian 0.006 0.1421 0.1421
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0077 0.3678 0.3678
Echinococcus granulosus neuroglian 0.006 0.1421 0.1421
Schistosoma mansoni cell adhesion molecule 0.0077 0.3678 0.4387
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0061 0.1617 0.1617
Onchocerca volvulus 0.0061 0.1617 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0097 0.6322 1
Echinococcus multilocularis roundabout 2 0.0077 0.3678 0.3678
Brugia malayi Immunoglobulin I-set domain containing protein 0.0061 0.1617 0.2557
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0077 0.3678 0.5817
Brugia malayi Immunoglobulin I-set domain containing protein 0.0077 0.3678 0.5817
Schistosoma mansoni ephrin receptor 0.0064 0.1917 0.2286
Schistosoma mansoni myosin-binding protein-related 0.0061 0.1617 0.1928
Loa Loa (eye worm) hypothetical protein 0.0061 0.1617 0.2557
Schistosoma mansoni serine/threonine protein kinase 0.0061 0.1617 0.1928
Echinococcus multilocularis Down syndrome cell adhesion molecule 0.0065 0.2061 0.2061
Schistosoma mansoni cell adhesion molecule 0.0061 0.1617 0.1928
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0077 0.3678 0.4387

Activities

No activities found for this compound.

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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