Detailed information for compound 1574118

Basic information

Technical information
  • TDR Targets ID: 1574118
  • Name: N-(furan-2-ylmethyl)-3-[(2-methyl-2,3-dihydro indol-1-yl)sulfonyl]benzamide
  • MW: 396.46 | Formula: C21H20N2O4S
  • H donors: 1 H acceptors: 3 LogP: 2.97 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cccc(c1)S(=O)(=O)N1C(C)Cc2c1cccc2)NCc1ccco1
  • InChi: 1S/C21H20N2O4S/c1-15-12-16-6-2-3-10-20(16)23(15)28(25,26)19-9-4-7-17(13-19)21(24)22-14-18-8-5-11-27-18/h2-11,13,15H,12,14H2,1H3,(H,22,24)
  • InChiKey: BWNHBTKXSAFZQM-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2-furylmethyl)-3-(2-methylindolin-1-yl)sulfonyl-benzamide
  • N-(2-furylmethyl)-3-[(2-methyl-1-indolinyl)sulfonyl]benzamide
  • T5411920

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus granulosus carboxylesterase 5A 0.0577 1 1
Onchocerca volvulus 0.0097 0.0721 0.5
Loa Loa (eye worm) hypothetical protein 0.0097 0.0721 0.0721
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0097 0.0721 0.5
Brugia malayi Carboxylesterase family protein 0.0097 0.0721 0.0721
Loa Loa (eye worm) carboxylesterase 0.0577 1 1
Loa Loa (eye worm) carboxylesterase 0.0097 0.0721 0.0721
Brugia malayi Carboxylesterase family protein 0.0097 0.0721 0.0721
Trichomonas vaginalis spcc417.12 protein, putative 0.0097 0.0721 0.5
Onchocerca volvulus 0.0097 0.0721 0.5
Brugia malayi hypothetical protein 0.0097 0.0721 0.0721
Mycobacterium ulcerans carboxylesterase, LipT 0.0097 0.0721 0.5
Echinococcus multilocularis carboxylesterase 5A 0.0577 1 1
Loa Loa (eye worm) hypothetical protein 0.0097 0.0721 0.0721
Brugia malayi Carboxylesterase family protein 0.0097 0.0721 0.0721
Brugia malayi Carboxylesterase family protein 0.0097 0.0721 0.0721
Loa Loa (eye worm) hypothetical protein 0.0097 0.0721 0.0721
Brugia malayi Carboxylesterase family protein 0.0577 1 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0097 0.0721 0.5
Mycobacterium tuberculosis Carboxylesterase LipT 0.0097 0.0721 0.5
Onchocerca volvulus 0.0097 0.0721 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0577 1 1
Loa Loa (eye worm) hypothetical protein 0.0097 0.0721 0.0721
Loa Loa (eye worm) acetylcholinesterase 1 0.0577 1 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0097 0.0721 0.5
Onchocerca volvulus 0.0097 0.0721 0.5
Loa Loa (eye worm) hypothetical protein 0.0097 0.0721 0.0721
Echinococcus multilocularis acetylcholinesterase 0.0577 1 1
Echinococcus granulosus acetylcholinesterase 0.0577 1 1
Loa Loa (eye worm) hypothetical protein 0.0577 1 1
Echinococcus multilocularis acetylcholinesterase 0.0577 1 1
Loa Loa (eye worm) hypothetical protein 0.0097 0.0721 0.0721
Echinococcus granulosus acetylcholinesterase 0.0577 1 1
Loa Loa (eye worm) carboxylesterase 0.0097 0.0721 0.0721
Loa Loa (eye worm) hypothetical protein 0.0577 1 1
Loa Loa (eye worm) hypothetical protein 0.0097 0.0721 0.0721
Onchocerca volvulus 0.0097 0.0721 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 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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