Detailed information for compound 1353756

Basic information

Technical information
  • TDR Targets ID: 1353756
  • Name: N-cyclopentyl-4-(methyl-phenylsulfonylamino)b enzamide
  • MW: 358.455 | Formula: C19H22N2O3S
  • H donors: 1 H acceptors: 3 LogP: 3.17 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(cc1)N(S(=O)(=O)c1ccccc1)C)NC1CCCC1
  • InChi: 1S/C19H22N2O3S/c1-21(25(23,24)18-9-3-2-4-10-18)17-13-11-15(12-14-17)19(22)20-16-7-5-6-8-16/h2-4,9-14,16H,5-8H2,1H3,(H,20,22)
  • InChiKey: DBJIVBDIKOMSGF-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • N-cyclopentyl-4-(methyl-phenylsulfonyl-amino)benzamide
  • BAS 00794443
  • Oprea1_320030
  • Oprea1_435143
  • ZINC00835435
  • 4-(Benzenesulfonyl-methyl-amino)-N-cyclopentyl-benzamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide 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
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
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
Brugia malayi Integrin alpha cytoplasmic region family protein 0.1504 0.2765 0.2765
Brugia malayi hypothetical protein 0.0619 0.0271 0.0271
Loa Loa (eye worm) integrin alpha pat-2 0.3065 0.7162 0.7162
Loa Loa (eye worm) hypothetical protein 0.1504 0.2765 0.2765
Brugia malayi Integrin alpha pat-2 precursor 0.1988 0.4129 0.4129
Leishmania major hypothetical protein, conserved 0.0522 0 0.5
Echinococcus multilocularis integrin beta 2 0.3017 0.7027 1
Loa Loa (eye worm) integrin beta-2 0.4073 1 1
Toxoplasma gondii kringle domain-containing protein 0.0522 0 0.5
Plasmodium falciparum cysteine repeat modular protein 1 0.0522 0 0.5
Schistosoma mansoni integrin beta subunit 0.2398 0.5283 1
Brugia malayi Kelch motif family protein 0.0619 0.0271 0.0271
Schistosoma mansoni integrin alpha-ps 0.0891 0.1039 0.1967
Echinococcus granulosus integrin alpha 3 0.1524 0.2822 0.4016
Echinococcus granulosus integrin alpha ps 0.0891 0.1039 0.1479
Echinococcus multilocularis integrin alpha 3 0.1524 0.2822 0.4016
Loa Loa (eye worm) hypothetical protein 0.0619 0.0271 0.0271
Echinococcus multilocularis integrin alpha ps 0.0891 0.1039 0.1479
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0522 0 0.5
Loa Loa (eye worm) hypothetical protein 0.1097 0.1618 0.1618
Schistosoma mansoni integrin alpha 0.1988 0.4129 0.7815
Onchocerca volvulus 0.0522 0 0.5
Loa Loa (eye worm) kelch domain-containing protein family protein 0.0619 0.0271 0.0271
Loa Loa (eye worm) hypothetical protein 0.1561 0.2925 0.2925
Trypanosoma cruzi hypothetical protein, conserved 0.0522 0 0.5
Echinococcus multilocularis integrin alpha ps 0.0891 0.1039 0.1479
Echinococcus granulosus integrin beta 2 0.3017 0.7027 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.9285 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) 3.5481 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.9185 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) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 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

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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