Detailed information for compound 1495685

Basic information

Technical information
  • TDR Targets ID: 1495685
  • Name: N-[(3-chlorophenyl)-methylcarbamoyl]-N-methyl -1,3-benzodioxole-5-carboxamide
  • MW: 346.765 | Formula: C17H15ClN2O4
  • H donors: 0 H acceptors: 2 LogP: 3.17 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cccc(c1)N(C(=O)N(C(=O)c1ccc2c(c1)OCO2)C)C
  • InChi: 1S/C17H15ClN2O4/c1-19(13-5-3-4-12(18)9-13)17(22)20(2)16(21)11-6-7-14-15(8-11)24-10-23-14/h3-9H,10H2,1-2H3
  • InChiKey: MOSCZDBBLMLSFK-UHFFFAOYSA-N  

Network

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Synonyms

  • N-[(3-chlorophenyl)-methyl-carbamoyl]-N-methyl-1,3-benzodioxole-5-carboxamide
  • N-[[(3-chlorophenyl)-methylamino]-oxomethyl]-N-methyl-1,3-benzodioxole-5-carboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens chemokine (C-C motif) receptor 2 Starlite/ChEMBL 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
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Loa Loa (eye worm) cytochrome b 0.0312 0.1506 1
Brugia malayi cytochrome b 0.0312 0.1506 1
Onchocerca volvulus 0.1815 1 1
Schistosoma mansoni chromobox protein 0.0081 0.0202 0.0176
Echinococcus granulosus chromobox protein 1 0.0081 0.0202 0.0176
Trichomonas vaginalis chromobox protein, putative 0.0081 0.0202 1
Schistosoma mansoni ets-related 0.0224 0.1006 0.343
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0074 0.0159 0.1053
Schistosoma mansoni cytochrome b 0.0511 0.263 1
Echinococcus granulosus chromobox protein 1 0.0081 0.0202 0.0176
Mycobacterium ulcerans ubiquinol-cytochrome C reductase QcrB 0.1815 1 0.5
Toxoplasma gondii apocytochrome b, putative 0.0511 0.263 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0049 0.002 0.002
Plasmodium falciparum cytochrome b 0.0511 0.263 0.5
Loa Loa (eye worm) heterochromatin protein 1 0.0081 0.0202 0.1342
Echinococcus multilocularis chromobox protein 1 0.0081 0.0202 1
Echinococcus multilocularis chromobox protein 1 0.0081 0.0202 1
Mycobacterium tuberculosis Probable ubiquinol-cytochrome C reductase QcrB (cytochrome B subunit) 0.1815 1 0.5
Brugia malayi Fli-1 protein 0.0224 0.1006 0.6682
Plasmodium vivax cytochrome b 0.0511 0.263 0.5
Brugia malayi Heterochromatin protein 1 0.0081 0.0202 0.1342
Trichomonas vaginalis chromobox protein, putative 0.0049 0.002 0.0969
Toxoplasma gondii cytochrome b 0.0511 0.263 1
Loa Loa (eye worm) fli-1 protein 0.0224 0.1006 0.6682
Loa Loa (eye worm) hypothetical protein 0.0063 0.0098 0.0652
Echinococcus granulosus cytochrome B 0.0511 0.263 1
Schistosoma mansoni chromobox protein 0.0081 0.0202 0.0176
Schistosoma mansoni cytochrome b 0.0312 0.1506 0.5452
Trichomonas vaginalis chromobox protein, putative 0.0049 0.002 0.0969
Trichomonas vaginalis chromobox protein, putative 0.0081 0.0202 1
Brugia malayi Ets-domain containing protein 0.0074 0.0159 0.1053
Brugia malayi Ets-domain containing protein 0.0074 0.0159 0.1053
Wolbachia endosymbiont of Brugia malayi cytochrome b subunit of the bc complex 0.0511 0.263 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 10 uM Antagonist activity at CCR2 in human THP1 cells assessed as inhibition of CCL2-induced chemotaxis ChEMBL. 21341682

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

1 literature reference was collected for this gene.

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