Detailed information for compound 166754

Basic information

Technical information
  • TDR Targets ID: 166754
  • Name: N-[(3-methoxyphenyl)methyl]-1,6-naphthyridine -2-carboxamide
  • MW: 293.32 | Formula: C17H15N3O2
  • H donors: 1 H acceptors: 3 LogP: 2.2 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)CNC(=O)c1ccc2c(n1)ccnc2
  • InChi: 1S/C17H15N3O2/c1-22-14-4-2-3-12(9-14)10-19-17(21)16-6-5-13-11-18-8-7-15(13)20-16/h2-9,11H,10H2,1H3,(H,19,21)
  • InChiKey: OAWYBCAUTQPDAI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-m-anisyl-1,6-naphthyridine-2-carboxamide
  • N-(3-methoxybenzyl)-1,6-naphthyridine-2-carboxamide
  • AIDS106705
  • [1,6]Naphthyridine-2-carboxylic acid, 3-methoxy-benzylamide
  • AIDS-106705

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
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0333 0.0917 0.0917
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.1256 0.4495 0.744
Loa Loa (eye worm) hypothetical protein 0.0333 0.0917 0.0917
Echinococcus multilocularis expressed conserved protein 0.0184 0.0337 0.0041
Loa Loa (eye worm) hypothetical protein 0.0679 0.2259 0.2259
Schistosoma mansoni acetylcholine receptor subunit beta 0.0333 0.0917 0.1082
Loa Loa (eye worm) hypothetical protein 0.0723 0.2426 0.2426
Onchocerca volvulus 0.0333 0.0917 0.1142
Loa Loa (eye worm) hypothetical protein 0.0333 0.0917 0.0917
Loa Loa (eye worm) hypothetical protein 0.0176 0.0307 0.0307
Loa Loa (eye worm) hypothetical protein 0.0333 0.0917 0.0917
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0723 0.2426 0.2909
Brugia malayi Cation transporter family protein 0.1256 0.4495 0.4495
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0389 0.1134 0.1468
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0389 0.1134 0.1134
Schistosoma mansoni nAChR subunit 0.0723 0.2426 0.3764
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0333 0.0917 0.0917
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0176 0.0307 0.0307
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0723 0.2426 0.2909
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0723 0.2426 0.2426
Loa Loa (eye worm) hypothetical protein 0.0941 0.3271 0.3271
Echinococcus multilocularis nAChR subunit 0.0723 0.2426 0.2909
Loa Loa (eye worm) hypothetical protein 0.0923 0.3203 0.3203
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0389 0.1134 0.1134
Loa Loa (eye worm) hypothetical protein 0.0723 0.2426 0.2426
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0723 0.2426 0.2426
Loa Loa (eye worm) hypothetical protein 0.0333 0.0917 0.0917
Loa Loa (eye worm) hypothetical protein 0.0723 0.2426 0.2426
Loa Loa (eye worm) hypothetical protein 0.1256 0.4495 0.4495
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.1552 0.5641 0.5641
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0723 0.2426 0.2426
Schistosoma mansoni nAChR subunit 0.0723 0.2426 0.3764
Loa Loa (eye worm) hypothetical protein 0.0389 0.1134 0.1134
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0723 0.2426 0.2426
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0723 0.2426 0.2909
Entamoeba histolytica hypothetical protein 0.0389 0.1134 0.5
Schistosoma mansoni calcium-activated potassium channel 0.0895 0.3093 0.4949
Echinococcus granulosus integrin alpha ps 0.0257 0.0622 0.0432
Onchocerca volvulus 0.0723 0.2426 0.3972
Loa Loa (eye worm) hypothetical protein 0.0333 0.0917 0.0917
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0723 0.2426 0.2426
Loa Loa (eye worm) solute carrier family 6 member 4 0.0176 0.0307 0.0307
Loa Loa (eye worm) hypothetical protein 0.0333 0.0917 0.0917
Loa Loa (eye worm) hypothetical protein 0.0389 0.1134 0.1134
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0723 0.2426 0.2426
Onchocerca volvulus 0.1256 0.4495 0.7852
Loa Loa (eye worm) GABA receptor subunit 0.0389 0.1134 0.1134
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0723 0.2426 0.2426
Echinococcus multilocularis glycine receptor subunit beta 0.0723 0.2426 0.2909
Echinococcus granulosus gamma aminobutyric acid receptor subunit 0.0333 0.0917 0.0836
Loa Loa (eye worm) hypothetical protein 0.0389 0.1134 0.1134
Loa Loa (eye worm) LGC-31 protein 0.0723 0.2426 0.2426
Loa Loa (eye worm) hypothetical protein 0.0176 0.0307 0.0307
Schistosoma mansoni acetylcholine receptor-related 0.0333 0.0917 0.1082
Loa Loa (eye worm) hypothetical protein 0.0333 0.0917 0.0917
Loa Loa (eye worm) serotonin transporter b 0.0176 0.0307 0.0307
Schistosoma mansoni integrin alpha-ps 0.028 0.0708 0.0712
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0723 0.2426 0.2426
Echinococcus multilocularis integrin alpha ps 0.0537 0.1706 0.1921
Schistosoma mansoni integrin beta subunit 0.1628 0.5936 1
Loa Loa (eye worm) hypothetical protein 0.0176 0.0307 0.0307
Loa Loa (eye worm) hypothetical protein 0.1552 0.5641 0.5641
Echinococcus granulosus glycine receptor subunit beta 0.0723 0.2426 0.2909
Loa Loa (eye worm) hypothetical protein 0.0333 0.0917 0.0917
Echinococcus granulosus integrin alpha ps 0.0537 0.1706 0.1921
Brugia malayi hypothetical protein 0.0333 0.0917 0.0917
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.1552 0.5641 0.7324
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0389 0.1134 0.1134
Echinococcus multilocularis nAChR subunit 0.0389 0.1134 0.1134
Loa Loa (eye worm) hypothetical protein 0.0723 0.2426 0.2426
Brugia malayi Kelch motif family protein 0.0426 0.1278 0.1278
Brugia malayi hypothetical protein 0.0333 0.0917 0.0917
Loa Loa (eye worm) integrin beta-2 0.2676 1 1
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0723 0.2426 0.2909
Schistosoma mansoni hypothetical protein 0.0257 0.0622 0.0559
Loa Loa (eye worm) hypothetical protein 0.0333 0.0917 0.0917
Loa Loa (eye worm) hypothetical protein 0.0389 0.1134 0.1134
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.058 0.1873 0.2781
Echinococcus multilocularis glycine receptor subunit beta 0.0723 0.2426 0.2909
Onchocerca volvulus 0.0389 0.1134 0.1549
Schistosoma mansoni integrin alpha 0.1198 0.4269 0.7038
Schistosoma mansoni neurotransmitter gated ion channel 0.0389 0.1134 0.1468
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0723 0.2426 0.2426
Brugia malayi Integrin alpha cytoplasmic region family protein 0.0679 0.2259 0.2259
Loa Loa (eye worm) hypothetical protein 0.0895 0.3093 0.3093
Loa Loa (eye worm) hypothetical protein 0.0389 0.1134 0.1134
Schistosoma mansoni neurotransmitter gated ion channel 0.0333 0.0917 0.1082
Loa Loa (eye worm) neuronal acetylcholine receptor protein 0.0333 0.0917 0.0917
Brugia malayi Cation transporter family protein 0.0723 0.2426 0.2426
Brugia malayi Integrin alpha pat-2 precursor 0.1198 0.4269 0.4269
Onchocerca volvulus 0.0199 0.0396 0.0165
Loa Loa (eye worm) acetylcholine receptor protein 0.0333 0.0917 0.0917
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0723 0.2426 0.2426
Onchocerca volvulus 0.1256 0.4495 0.7852
Schistosoma mansoni nAChR subunit 0.0723 0.2426 0.3764
Brugia malayi solute carrier family 40, member 1 0.0199 0.0396 0.0396
Loa Loa (eye worm) hypothetical protein 0.0723 0.2426 0.2426
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0723 0.2426 0.2426
Loa Loa (eye worm) norepinephrine transporter 0.0176 0.0307 0.0307
Loa Loa (eye worm) hypothetical protein 0.1256 0.4495 0.4495
Loa Loa (eye worm) hypothetical protein 0.0723 0.2426 0.2426
Loa Loa (eye worm) hypothetical protein 0.0426 0.1278 0.1278
Echinococcus granulosus glycine receptor subunit alpha 1 0.0723 0.2426 0.2909
Echinococcus multilocularis integrin alpha 3 0.0918 0.3185 0.3951
Echinococcus granulosus nAChR subunit 0.0389 0.1134 0.1134
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0723 0.2426 0.3764
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.1552 0.5641 0.5641
Loa Loa (eye worm) hypothetical protein 0.0333 0.0917 0.0917
Loa Loa (eye worm) hypothetical protein 0.0723 0.2426 0.2426
Brugia malayi hypothetical protein 0.0333 0.0917 0.0917
Echinococcus multilocularis integrin alpha ps 0.0257 0.0622 0.0432
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0571 0.1836 0.2716
Loa Loa (eye worm) hypothetical protein 0.0333 0.0917 0.0917
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0723 0.2426 0.2909
Loa Loa (eye worm) integrin alpha pat-2 0.162 0.5905 0.5905
Schistosoma mansoni nAChR subunit 0.0723 0.2426 0.3764
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0333 0.0917 0.0917
Echinococcus multilocularis gamma aminobutyric acid receptor subunit 0.0333 0.0917 0.0836
Echinococcus multilocularis nicotinic acetylcholine receptor subunit type 0.0333 0.0917 0.0836
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0723 0.2426 0.2426
Schistosoma mansoni hypothetical protein 0.0895 0.3093 0.4949
Echinococcus granulosus small conductance calcium activated potassium 0.0895 0.3093 0.3825
Loa Loa (eye worm) hypothetical protein 0.0199 0.0396 0.0396
Echinococcus granulosus integrin beta 2 0.2055 0.759 1
Onchocerca volvulus Putative nachr subunit 0.1552 0.5641 1
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0723 0.2426 0.2909
Loa Loa (eye worm) hypothetical protein 0.0389 0.1134 0.1134
Onchocerca volvulus 0.0723 0.2426 0.3972
Loa Loa (eye worm) hypothetical protein 0.0723 0.2426 0.2426
Echinococcus granulosus expressed conserved protein 0.0184 0.0337 0.0041
Echinococcus granulosus glycine receptor subunit beta 0.0723 0.2426 0.2909
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0723 0.2426 0.2909
Treponema pallidum sodium- and chloride- dependent transporter 0.0176 0.0307 0.5
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0723 0.2426 0.2909
Loa Loa (eye worm) hypothetical protein 0.0723 0.2426 0.2426
Loa Loa (eye worm) hypothetical protein 0.0389 0.1134 0.1134
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0723 0.2426 0.2909
Echinococcus multilocularis small conductance calcium activated potassium 0.0895 0.3093 0.3825
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.1552 0.5641 0.7324
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0723 0.2426 0.2426
Schistosoma mansoni nAChR subunit 0.0723 0.2426 0.3764
Schistosoma mansoni nAChR subunit 0.0723 0.2426 0.3764
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.0389 0.1134 0.1468
Echinococcus multilocularis integrin alpha ps 0.0537 0.1706 0.1921
Loa Loa (eye worm) hypothetical protein 0.0333 0.0917 0.0917
Echinococcus granulosus integrin alpha 3 0.0918 0.3185 0.3951
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0333 0.0917 0.0836
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0333 0.0917 0.0917
Brugia malayi hypothetical protein 0.0333 0.0917 0.0917
Loa Loa (eye worm) hypothetical protein 0.0723 0.2426 0.2426
Onchocerca volvulus 0.0333 0.0917 0.1142
Onchocerca volvulus 0.0522 0.1648 0.2514
Loa Loa (eye worm) hypothetical protein 0.0235 0.0534 0.0534
Loa Loa (eye worm) hypothetical protein 0.0297 0.0775 0.0775
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0723 0.2426 0.2426
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0723 0.2426 0.2426
Loa Loa (eye worm) hypothetical protein 0.0257 0.0622 0.0622
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0333 0.0917 0.0836
Brugia malayi Trypsin family protein 0.0571 0.1836 0.1836
Echinococcus granulosus nAChR subunit 0.0723 0.2426 0.2909
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0723 0.2426 0.2426
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0723 0.2426 0.2426
Loa Loa (eye worm) ACC-1 protein 0.0723 0.2426 0.2426
Echinococcus multilocularis integrin beta 2 0.2055 0.759 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0723 0.2426 0.3764
Onchocerca volvulus 0.1256 0.4495 0.7852
Loa Loa (eye worm) kelch domain-containing protein family protein 0.0426 0.1278 0.1278
Onchocerca volvulus 0.0723 0.2426 0.3972
Echinococcus granulosus glycine receptor subunit alpha 1 0.0723 0.2426 0.2909
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.1552 0.5641 0.7324
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0723 0.2426 0.2909
Schistosoma mansoni integrin alpha-ps 0.0537 0.1706 0.2485
Loa Loa (eye worm) hypothetical protein 0.0723 0.2426 0.2426
Loa Loa (eye worm) hypothetical protein 0.0723 0.2426 0.2426
Loa Loa (eye worm) hypothetical protein 0.0723 0.2426 0.2426
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0723 0.2426 0.2909
Onchocerca volvulus 0.0571 0.1836 0.2867
Schistosoma mansoni neurotransmitter gated ion channel 0.0333 0.0917 0.1082
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.1552 0.5641 0.7324
Loa Loa (eye worm) hypothetical protein 0.0333 0.0917 0.0917
Loa Loa (eye worm) hypothetical protein 0.0333 0.0917 0.0917
Schistosoma mansoni nAChR subunit 0.0723 0.2426 0.3764
Onchocerca volvulus 0.0389 0.1134 0.1549
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0723 0.2426 0.3764
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.1552 0.5641 0.7324
Loa Loa (eye worm) ACC-1 protein 0.0723 0.2426 0.2426
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0723 0.2426 0.2426
Loa Loa (eye worm) hypothetical protein 0.0331 0.0907 0.0907
Loa Loa (eye worm) hypothetical protein 0.0571 0.1836 0.1836
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0723 0.2426 0.2426
Loa Loa (eye worm) hypothetical protein 0.0389 0.1134 0.1134
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.1552 0.5641 0.7324
Brugia malayi excitatory GABA receptor EXP-1A 0.0723 0.2426 0.2426
Loa Loa (eye worm) hypothetical protein 0.0723 0.2426 0.2426
Brugia malayi Cation transporter family protein 0.0723 0.2426 0.2426
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.1256 0.4495 0.744
Schistosoma mansoni nAChR subunit 0.0333 0.0917 0.1082
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0333 0.0917 0.0917
Onchocerca volvulus 0.0333 0.0917 0.1142
Schistosoma mansoni calcium-activated potassium channel 0.0628 0.2058 0.3111
Schistosoma mansoni nAChR subunit 0.0333 0.0917 0.1082
Loa Loa (eye worm) hypothetical protein 0.0723 0.2426 0.2426
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0723 0.2426 0.2909
Loa Loa (eye worm) hypothetical protein 0.0723 0.2426 0.2426
Brugia malayi Acetylcholine receptor protein, alpha-like chain 1 precursor 0.0333 0.0917 0.0917
Echinococcus granulosus glycine receptor subunit alpha 1 0.0723 0.2426 0.2909
Loa Loa (eye worm) hypothetical protein 0.0333 0.0917 0.0917
Brugia malayi hypothetical protein 0.0333 0.0917 0.0917
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0723 0.2426 0.2426
Loa Loa (eye worm) hypothetical protein 0.028 0.0708 0.0708
Brugia malayi Neuronal acetylcholine receptor protein, alpha-2 chain precursor 0.0333 0.0917 0.0917
Loa Loa (eye worm) hypothetical protein 0.0571 0.1836 0.1836
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0389 0.1134 0.1134
Brugia malayi hypothetical protein 0.0426 0.1278 0.1278
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0723 0.2426 0.3764
Loa Loa (eye worm) hypothetical protein 0.0661 0.2187 0.2187

Activities

Activity type Activity value Assay description Source Reference
CC50 (functional) = 100 ug ml-1 Cytotoxicity in the Hs 68 cell line ChEMBL. 10447945
CC50 (functional) = 100 ug ml-1 Cytotoxicity in the Hs 68 cell line ChEMBL. 10447945
IC50 (functional) = 2.1 ug ml-1 Anti-HCMV activity in the human fibroblast Hs 68 cell line ChEMBL. 10447945

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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