Detailed information for compound 32413

Basic information

Technical information
  • TDR Targets ID: 32413
  • Name: 5-[8-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl )phenoxy]octyl]-3-methyl-1,2-oxazole
  • MW: 390.904 | Formula: C21H27ClN2O3
  • H donors: 0 H acceptors: 1 LogP: 5.59 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1noc(c1)CCCCCCCCOc1ccc(cc1Cl)C1=NCCO1
  • InChi: 1S/C21H27ClN2O3/c1-16-14-18(27-24-16)8-6-4-2-3-5-7-12-25-20-10-9-17(15-19(20)22)21-23-11-13-26-21/h9-10,14-15H,2-8,11-13H2,1H3
  • InChiKey: FLWXKDUXKBHGKR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5-[8-[2-chloro-4-(4,5-dihydrooxazol-2-yl)phenoxy]octyl]-3-methyl-isoxazole
  • 5-[8-[2-chloro-4-(4,5-dihydrooxazol-2-yl)phenoxy]octyl]-3-methylisoxazole
  • 5-[8-[2-chloro-4-(2-oxazolin-2-yl)phenoxy]octyl]-3-methyl-isoxazole
  • AIDS223136
  • Isoxazole, 5-[8-[2-chloro-4-(4,5-dihydro-2-oxazolyl)phenoxy]octyl]-3-methyl-
  • AIDS-223136

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
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.1007 0.1122 0.1122
Brugia malayi Cation transporter family protein 0.0416 0.0267 0.0267
Schistosoma mansoni sodium-dependent amino acid transporter 0.1213 0.1419 0.1419
Schistosoma mansoni integrin alpha 0.0851 0.0896 0.0896
Onchocerca volvulus 0.7143 1 1
Loa Loa (eye worm) hypothetical protein 0.0416 0.0267 0.0267
Schistosoma mansoni hydroxymethylglutaryl-CoA reductase (NADPH) 0.0564 0.048 0.048
Loa Loa (eye worm) hypothetical protein 0.0416 0.0267 0.0267
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0416 0.0267 0.0267
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.1213 0.1419 0.1419
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.1213 0.1419 0.1419
Echinococcus granulosus glycine receptor subunit alpha 1 0.0416 0.0267 0.0267
Loa Loa (eye worm) hypothetical protein 0.0416 0.0267 0.0267
Giardia lamblia 3-hydroxy-3-methylglutaryl-coenzyme A reductase 0.0264 0.0047 0.5
Loa Loa (eye worm) carbonic anhydrase 3 0.0377 0.021 0.021
Brugia malayi excitatory GABA receptor EXP-1A 0.0416 0.0267 0.0267
Schistosoma mansoni nAChR subunit 0.0416 0.0267 0.0267
Echinococcus multilocularis carbonic anhydrase II 0.0377 0.021 0.021
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0416 0.0267 0.0267
Loa Loa (eye worm) hypothetical protein 0.0416 0.0267 0.0267
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0264 0.0047 1
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0416 0.0267 0.0267
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0416 0.0267 0.0267
Loa Loa (eye worm) hypothetical protein 0.1213 0.1419 0.1419
Schistosoma mansoni sodium/chloride dependent transporter 0.7143 1 1
Loa Loa (eye worm) hypothetical protein 0.0416 0.0267 0.0267
Loa Loa (eye worm) hypothetical protein 0.1213 0.1419 0.1419
Echinococcus granulosus uncharacterized sodium dependent transporter 0.1213 0.1419 0.1419
Loa Loa (eye worm) hypothetical protein 0.0416 0.0267 0.0267
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.1213 0.1419 0.1419
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.1213 0.1419 0.1419
Loa Loa (eye worm) hypothetical protein 0.0416 0.0267 0.0267
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0377 0.021 0.021
Trypanosoma brucei 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.0564 0.048 1
Loa Loa (eye worm) hypothetical protein 0.1213 0.1419 0.1419
Brugia malayi Cation transporter family protein 0.0416 0.0267 0.0267
Treponema pallidum sodium- and chloride- dependent transporter 0.7143 1 0.5
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.1213 0.1419 0.1419
Echinococcus multilocularis integrin alpha ps 0.0382 0.0216 0.0216
Loa Loa (eye worm) hypothetical protein 0.0416 0.0267 0.0267
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0416 0.0267 0.0267
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0416 0.0267 0.0267
Onchocerca volvulus Putative nachr subunit 0.1007 0.1122 0.0878
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0416 0.0267 0.0267
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0416 0.0267 0.0267
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0416 0.0267 0.0267
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.1213 0.1419 0.1419
Loa Loa (eye worm) hypothetical protein 0.7143 1 1
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.1007 0.1122 0.1122
Loa Loa (eye worm) hypothetical protein 0.0416 0.0267 0.0267
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0416 0.0267 0.0267
Loa Loa (eye worm) norepinephrine transporter 0.7143 1 1
Echinococcus granulosus sodium and chloride dependent glycine 0.1213 0.1419 0.1419
Loa Loa (eye worm) hypothetical protein 0.1213 0.1419 0.1419
Loa Loa (eye worm) hypothetical protein 0.0416 0.0267 0.0267
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0416 0.0267 0.0267
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0416 0.0267 0.0267
Echinococcus granulosus uncharacterized sodium dependent transporter 0.1213 0.1419 0.1419
Loa Loa (eye worm) hypothetical protein 0.7143 1 1
Echinococcus granulosus hydroxymethylglutaryl coenzyme A reductase 0.0564 0.048 0.048
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0416 0.0267 0.0267
Loa Loa (eye worm) hypothetical protein 0.0416 0.0267 0.0267
Schistosoma mansoni nAChR subunit 0.0416 0.0267 0.0267
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.1213 0.1419 0.1419
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0416 0.0267 0.0267
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0416 0.0267 0.0267
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.1213 0.1419 0.1419
Schistosoma mansoni nAChR subunit 0.0416 0.0267 0.0267
Brugia malayi Integrin alpha pat-2 precursor 0.0851 0.0896 0.0896
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.1007 0.1122 0.1122
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.1213 0.1419 0.1419
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0416 0.0267 0.0267
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0377 0.021 0.021
Loa Loa (eye worm) serotonin transporter b 0.7143 1 1
Brugia malayi hypothetical protein 0.1213 0.1419 0.1419
Echinococcus granulosus nAChR subunit 0.0416 0.0267 0.0267
Echinococcus granulosus integrin alpha 3 0.0652 0.0608 0.0608
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.0564 0.048 1
Leishmania major 3-hydroxy-3-methylglutaryl-CoA reductase 0.0564 0.048 1
Brugia malayi Hydroxymethylglutaryl-coenzyme A reductase family protein 0.0564 0.048 0.048
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0416 0.0267 0.0267
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0416 0.0267 0.0267
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0416 0.0267 0.0267
Schistosoma mansoni nAChR subunit 0.0416 0.0267 0.0267
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.1007 0.1122 0.1122
Echinococcus granulosus glycine receptor subunit beta 0.0416 0.0267 0.0267
Toxoplasma gondii hypothetical protein 0.1213 0.1419 0.5
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0416 0.0267 0.0267
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0416 0.0267 0.0267
Toxoplasma gondii hypothetical protein 0.1213 0.1419 0.5
Plasmodium falciparum transporter, putative 0.1213 0.1419 0.5
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0416 0.0267 0.0267
Loa Loa (eye worm) hypothetical protein 0.0416 0.0267 0.0267
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.1213 0.1419 0.5
Echinococcus multilocularis serotonin transporter 0.7143 1 1
Echinococcus multilocularis integrin alpha ps 0.0382 0.0216 0.0216
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0416 0.0267 0.0267
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0377 0.021 0.021
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0377 0.021 0.021
Brugia malayi Sodium:neurotransmitter symporter family protein 0.1213 0.1419 0.1419
Echinococcus granulosus glycine receptor subunit alpha 1 0.0416 0.0267 0.0267
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0416 0.0267 0.0267
Onchocerca volvulus 0.1213 0.1419 0.1184
Loa Loa (eye worm) hypothetical protein 0.7143 1 1
Loa Loa (eye worm) ACC-1 protein 0.0416 0.0267 0.0267
Schistosoma mansoni nAChR subunit 0.0416 0.0267 0.0267
Schistosoma mansoni nAChR subunit 0.0416 0.0267 0.0267
Loa Loa (eye worm) hypothetical protein 0.0416 0.0267 0.0267
Loa Loa (eye worm) hypothetical protein 0.0416 0.0267 0.0267
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.1213 0.1419 0.1419
Echinococcus multilocularis hydroxymethylglutaryl coenzyme A reductase 0.0564 0.048 0.048
Plasmodium vivax hypothetical protein, conserved 0.1213 0.1419 0.5
Plasmodium falciparum amino acid transporter, putative 0.1213 0.1419 0.5
Loa Loa (eye worm) hypothetical protein 0.1213 0.1419 0.1419
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0416 0.0267 0.0267
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0416 0.0267 0.0267
Echinococcus granulosus glycine receptor subunit alpha 1 0.0416 0.0267 0.0267
Loa Loa (eye worm) integrin alpha pat-2 0.0851 0.0896 0.0896
Loa Loa (eye worm) hypothetical protein 0.047 0.0344 0.0344
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0416 0.0267 0.0267
Mycobacterium ulcerans hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase 0.0564 0.048 0.5
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0416 0.0267 0.0267
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0416 0.0267 0.0267
Loa Loa (eye worm) hypothetical protein 0.0668 0.0631 0.0631
Loa Loa (eye worm) solute carrier family 6 member 4 0.7143 1 1
Loa Loa (eye worm) hypothetical protein 0.1213 0.1419 0.1419
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.1213 0.1419 0.1419
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.1213 0.1419 0.1419
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.1213 0.1419 0.1419
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.1213 0.1419 0.5
Onchocerca volvulus 0.1213 0.1419 0.1184
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.1007 0.1122 0.1122
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.1213 0.1419 0.1419
Brugia malayi Sodium:neurotransmitter symporter family protein 0.1213 0.1419 0.1419
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0377 0.021 0.021
Echinococcus multilocularis sodium and chloride dependent glycine 0.1213 0.1419 0.1419
Loa Loa (eye worm) hypothetical protein 0.0416 0.0267 0.0267
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase 0.0564 0.048 1
Loa Loa (eye worm) hypothetical protein 0.0416 0.0267 0.0267
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0416 0.0267 0.0267
Loa Loa (eye worm) hypothetical protein 0.0416 0.0267 0.0267
Echinococcus granulosus serotonin transporter 0.7143 1 1
Plasmodium vivax amine transporter, putative 0.1213 0.1419 0.5
Echinococcus multilocularis glycine receptor subunit beta 0.0416 0.0267 0.0267
Loa Loa (eye worm) hypothetical protein 0.1213 0.1419 0.1419
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.1007 0.1122 0.1122
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0416 0.0267 0.0267
Echinococcus granulosus sodium and chloride dependent glycine 0.1213 0.1419 0.1419
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0416 0.0267 0.0267
Schistosoma mansoni sodium/chloride dependent transporter 0.1214 0.142 0.142
Schistosoma mansoni sodium/chloride dependent transporter 0.1213 0.1419 0.1419
Loa Loa (eye worm) hypothetical protein 0.0416 0.0267 0.0267
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0416 0.0267 0.0267
Echinococcus multilocularis glycine receptor subunit beta 0.0416 0.0267 0.0267
Loa Loa (eye worm) ACC-1 protein 0.0416 0.0267 0.0267
Brugia malayi Sodium:neurotransmitter symporter family protein 0.1213 0.1419 0.1419
Echinococcus granulosus glycine receptor subunit beta 0.0416 0.0267 0.0267
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0416 0.0267 0.0267
Loa Loa (eye worm) hypothetical protein 0.0564 0.048 0.048
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.1213 0.1419 0.5
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0416 0.0267 0.0267
Onchocerca volvulus 0.1213 0.1419 0.1184
Echinococcus granulosus integrin alpha ps 0.0382 0.0216 0.0216
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0416 0.0267 0.0267
Brugia malayi Cation transporter family protein 0.0416 0.0267 0.0267
Echinococcus multilocularis sodium and chloride dependent glycine 0.1213 0.1419 0.1419
Echinococcus multilocularis nAChR subunit 0.0416 0.0267 0.0267
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.1213 0.1419 0.5
Loa Loa (eye worm) LGC-31 protein 0.0416 0.0267 0.0267
Schistosoma mansoni nAChR subunit 0.0416 0.0267 0.0267
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0264 0.0047 1
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.7143 1 1
Loa Loa (eye worm) hypothetical protein 0.1007 0.1122 0.1122
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.1213 0.1419 0.1419
Schistosoma mansoni integrin alpha-ps 0.0382 0.0216 0.0216
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.1213 0.1419 0.1419
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0416 0.0267 0.0267
Echinococcus granulosus carbonic anhydrase II 0.0377 0.021 0.021
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.1007 0.1122 0.1122
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0264 0.0047 1
Echinococcus multilocularis integrin alpha 3 0.0652 0.0608 0.0608
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.1007 0.1122 0.1122
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0416 0.0267 0.0267

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 14.32 uM In vitro minimum inhibitory concentration for the inhibition of human rhinovirus-14 replication. ChEMBL. 2158559

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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