Detailed information for compound 1422524

Basic information

Technical information
  • TDR Targets ID: 1422524
  • Name: 4-(difluoromethoxy)-N-[(1-dimethylaminocycloh exyl)methyl]-3-methoxybenzamide
  • MW: 356.407 | Formula: C18H26F2N2O3
  • H donors: 1 H acceptors: 1 LogP: 3.76 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(ccc1OC(F)F)C(=O)NCC1(CCCCC1)N(C)C
  • InChi: 1S/C18H26F2N2O3/c1-22(2)18(9-5-4-6-10-18)12-21-16(23)13-7-8-14(25-17(19)20)15(11-13)24-3/h7-8,11,17H,4-6,9-10,12H2,1-3H3,(H,21,23)
  • InChiKey: YHMUZQQLOBRPJE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(difluoromethoxy)-N-[(1-dimethylaminocyclohexyl)methyl]-3-methoxy-benzamide
  • T5323534

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0086 0.2182 0.2182
Schistosoma mansoni tar DNA-binding protein 0.0135 0.4221 0.6396
Echinococcus multilocularis tar DNA binding protein 0.0135 0.4221 1
Schistosoma mansoni hypothetical protein 0.0086 0.2182 0.2997
Entamoeba histolytica hypothetical protein 0.0043 0.0386 0.5
Schistosoma mansoni tar DNA-binding protein 0.0135 0.4221 0.6396
Leishmania major hypothetical protein, conserved 0.0053 0.0788 0.5
Schistosoma mansoni tar DNA-binding protein 0.0135 0.4221 0.6396
Schistosoma mansoni hypothetical protein 0.0186 0.6382 1
Entamoeba histolytica hypothetical protein 0.0043 0.0386 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0186 0.6382 0.6382
Loa Loa (eye worm) RNA binding protein 0.0135 0.4221 0.3726
Loa Loa (eye worm) hypothetical protein 0.0273 1 1
Schistosoma mansoni hypothetical protein 0.0086 0.2182 0.2997
Brugia malayi hypothetical protein 0.0043 0.0386 0.0386
Echinococcus granulosus tar DNA binding protein 0.0135 0.4221 1
Brugia malayi Latrophilin receptor protein 2 0.0086 0.2182 0.2182
Loa Loa (eye worm) latrophilin receptor protein 2 0.0086 0.2182 0.1513
Schistosoma mansoni tar DNA-binding protein 0.0135 0.4221 0.6396
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0086 0.2182 0.4685
Entamoeba histolytica hypothetical protein 0.0043 0.0386 0.5
Loa Loa (eye worm) hypothetical protein 0.0086 0.2182 0.1513
Brugia malayi hypothetical protein 0.0053 0.0788 0.0788
Brugia malayi RNA recognition motif domain containing protein 0.0135 0.4221 0.4221
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0273 1 1
Brugia malayi RNA binding protein 0.0135 0.4221 0.4221
Plasmodium falciparum ataxin-2 like protein, putative 0.0053 0.0788 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0273 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0053 0.0788 0.5
Schistosoma mansoni tar DNA-binding protein 0.0135 0.4221 0.6396
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0135 0.4221 0.3726
Toxoplasma gondii LsmAD domain-containing protein 0.0053 0.0788 0.5
Schistosoma mansoni hypothetical protein 0.0086 0.2182 0.2997
Trypanosoma brucei PAB1-binding protein , putative 0.0053 0.0788 0.5
Entamoeba histolytica hypothetical protein 0.0043 0.0386 0.5
Echinococcus multilocularis GPCR, family 2 0.0086 0.2182 0.4685
Echinococcus granulosus GPCR family 2 0.0086 0.2182 0.4685
Schistosoma mansoni hypothetical protein 0.0086 0.2182 0.2997
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0086 0.2182 0.4685
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0086 0.2182 0.4685
Plasmodium vivax ataxin-2 like protein, putative 0.0053 0.0788 0.5
Loa Loa (eye worm) hypothetical protein 0.0186 0.6382 0.6072
Trypanosoma cruzi PAB1-binding protein , putative 0.0053 0.0788 0.5
Brugia malayi TAR-binding protein 0.0135 0.4221 0.4221
Plasmodium falciparum ataxin-2 like protein, putative 0.0053 0.0788 0.5
Loa Loa (eye worm) TAR-binding protein 0.0135 0.4221 0.3726
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0086 0.2182 0.4685

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.0596 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 12.5893 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) 13.1154 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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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