Detailed information for compound 1658795

Basic information

Technical information
  • TDR Targets ID: 1658795
  • Name: 3-(4-methylmorpholin-4-ium-4-yl)-1-phenyl-1-t hiophen-2-ylpropan-1-ol
  • MW: 318.454 | Formula: C18H24NO2S+
  • H donors: 1 H acceptors: 1 LogP: 2.31 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: C[N+]1(CCOCC1)CCC(c1cccs1)(c1ccccc1)O
  • InChi: 1S/C18H24NO2S/c1-19(11-13-21-14-12-19)10-9-18(20,17-8-5-15-22-17)16-6-3-2-4-7-16/h2-8,15,20H,9-14H2,1H3/q+1
  • InChiKey: HJDYAOBDPZQHOD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-(4-methylmorpholin-4-ium-4-yl)-1-phenyl-1-(2-thienyl)propan-1-ol
  • 3-(4-methyl-4-morpholin-4-iumyl)-1-phenyl-1-(2-thienyl)propan-1-ol
  • 3-(4-methylmorpholin-4-ium-4-yl)-1-phenyl-1-thiophen-2-yl-propan-1-ol
  • 6252-92-2
  • 4-(3-Hydroxy-3-phenyl-3-(2-thienyl)propyl)-4-methylmorpholine
  • EINECS 228-380-5
  • Tiemonium
  • Tiemonum

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 Carboxylesterase family protein 0.0066 0.3656 0.3851
Echinococcus granulosus glycine receptor subunit alpha 1 0.003 0.1132 0.1169
Toxoplasma gondii aldehyde dehydrogenase 0.0039 0.1751 1
Schistosoma mansoni sex comb on midleg homolog 0.0026 0.0874 0.0851
Loa Loa (eye worm) hypothetical protein 0.003 0.1132 0.1169
Loa Loa (eye worm) hypothetical protein 0.003 0.1132 0.1169
Loa Loa (eye worm) hypothetical protein 0.0145 0.9088 0.9573
Echinococcus multilocularis survival motor neuron protein 1 0.0151 0.9492 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0014 0.0025 0.0026
Onchocerca volvulus 0.0016 0.0184 0.0176
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.003 0.1132 0.1192
Loa Loa (eye worm) GABA receptor subunit 0.0016 0.0184 0.0168
Echinococcus granulosus glycine receptor subunit alpha 1 0.003 0.1132 0.1169
Brugia malayi hypothetical protein 0.0021 0.0507 0.0534
Onchocerca volvulus Putative nachr subunit 0.003 0.1132 0.1221
Echinococcus granulosus glycine receptor subunit beta 0.003 0.1132 0.1169
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.003 0.1132 0.1169
Onchocerca volvulus 0.0016 0.0201 0.0195
Brugia malayi Cation transporter family protein 0.003 0.1132 0.1192
Loa Loa (eye worm) hypothetical protein 0.003 0.1132 0.1169
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0016 0.0201 0.0187
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.003 0.1132 0.111
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0113 0.6917 0.728
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0016 0.0184 0.0194
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0016 0.0184 0.0194
Echinococcus granulosus acetylcholinesterase 0.0066 0.3656 0.3835
Loa Loa (eye worm) hypothetical protein 0.0021 0.0507 0.0509
Brugia malayi Neuronal acetylcholine receptor protein, alpha-2 chain precursor 0.0014 0.0025 0.0026
Loa Loa (eye worm) hypothetical protein 0.003 0.1132 0.1169
Loa Loa (eye worm) MBCTL1 0.003 0.1122 0.1159
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.003 0.1132 0.1169
Echinococcus granulosus glycine receptor subunit alpha 1 0.003 0.1132 0.1169
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.003 0.1132 0.1192
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.003 0.1132 0.1192
Loa Loa (eye worm) LGC-31 protein 0.003 0.1132 0.1169
Loa Loa (eye worm) hypothetical protein 0.003 0.1132 0.1169
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.003 0.1132 0.1192
Trichomonas vaginalis set domain proteins, putative 0.0129 0.8 0.5
Loa Loa (eye worm) hypothetical protein 0.0081 0.4704 0.4942
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0026 0.0874 0.0937
Loa Loa (eye worm) acetylcholinesterase 1 0.0066 0.3656 0.3835
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0016 0.016 0.0143
Echinococcus multilocularis carboxylesterase 5A 0.0066 0.3656 0.3835
Echinococcus granulosus survival motor neuron protein 1 0.0151 0.9492 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.003 0.1132 0.111
Trypanosoma cruzi PAB1-binding protein , putative 0.0021 0.0507 0.5
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.003 0.1132 0.111
Loa Loa (eye worm) hypothetical protein 0.003 0.1132 0.1169
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.003 0.1132 0.1169
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0039 0.1751 0.1824
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.003 0.1132 0.1169
Loa Loa (eye worm) hypothetical protein 0.0081 0.4704 0.4942
Schistosoma mansoni survival motor neuron protein 0.0031 0.1201 0.1179
Onchocerca volvulus 0.003 0.1132 0.1221
Schistosoma mansoni myelin transcription factor 1 myt1 0.003 0.1122 0.11
Echinococcus multilocularis glycine receptor subunit alpha 1 0.003 0.1132 0.1169
Loa Loa (eye worm) hypothetical protein 0.0016 0.0184 0.0168
Onchocerca volvulus 0.003 0.1132 0.1221
Echinococcus granulosus muscleblind protein 0.0081 0.4704 0.4942
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.003 0.1132 0.1169
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.003 0.1132 0.1169
Brugia malayi Cation transporter family protein 0.003 0.1132 0.1192
Loa Loa (eye worm) carboxylesterase 0.0066 0.3656 0.3835
Loa Loa (eye worm) hypothetical protein 0.0026 0.0874 0.0897
Loa Loa (eye worm) hypothetical protein 0.0016 0.0184 0.0168
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0102 0.6158 0.6478
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0026 0.0874 0.0851
Loa Loa (eye worm) hypothetical protein 0.0016 0.0184 0.0168
Echinococcus granulosus histone acetyltransferase MYST2 0.003 0.1122 0.1159
Echinococcus multilocularis glycine receptor subunit alpha 1 0.003 0.1132 0.1169
Brugia malayi hypothetical protein 0.0145 0.9088 0.9574
Loa Loa (eye worm) mbt repeat family protein 0.0026 0.0874 0.0897
Onchocerca volvulus 0.0016 0.0184 0.0176
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.003 0.1132 0.1192
Onchocerca volvulus 0.0026 0.0874 0.0937
Loa Loa (eye worm) hypothetical protein 0.0066 0.3656 0.3835
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0014 0.0025 0.0026
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.003 0.1132 0.1169
Onchocerca volvulus 0.003 0.1132 0.1221
Trypanosoma brucei PAB1-binding protein , putative 0.0021 0.0507 0.5
Onchocerca volvulus 0.0129 0.8 0.88
Loa Loa (eye worm) hypothetical protein 0.003 0.1132 0.1169
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.003 0.1132 0.1192
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0016 0.0201 0.0177
Brugia malayi Muscleblind-like protein 0.0081 0.4704 0.4956
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0016 0.0201 0.0177
Toxoplasma gondii LsmAD domain-containing protein 0.0021 0.0507 0.1972
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0016 0.0201 0.0177
Loa Loa (eye worm) hypothetical protein 0.003 0.1132 0.1169
Schistosoma mansoni aldehyde dehydrogenase 0.0039 0.1751 0.1731
Loa Loa (eye worm) hypothetical protein 0.0016 0.0184 0.0168
Loa Loa (eye worm) hypothetical protein 0.003 0.1132 0.1169
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0016 0.0184 0.0194
Loa Loa (eye worm) hypothetical protein 0.003 0.1132 0.1169
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0014 0.0025 0.0026
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.003 0.1132 0.1169
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0014 0.0025 0.0026
Echinococcus granulosus nAChR subunit 0.003 0.1132 0.1169
Brugia malayi mbt repeat family protein 0.0026 0.0874 0.092
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0066 0.3656 0.364
Loa Loa (eye worm) ACC-1 protein 0.003 0.1132 0.1169
Onchocerca volvulus Huntingtin homolog 0.0145 0.9088 1
Brugia malayi hypothetical protein 0.0014 0.0025 0.0026
Schistosoma mansoni nAChR subunit 0.003 0.1132 0.111
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.003 0.1132 0.1169
Brugia malayi hypothetical protein 0.0014 0.0025 0.0026
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.003 0.1132 0.1192
Onchocerca volvulus 0.0031 0.1201 0.1298
Echinococcus granulosus polycomb protein SCMH1 0.0026 0.0874 0.0897
Schistosoma mansoni nAChR subunit 0.003 0.1132 0.111
Loa Loa (eye worm) hypothetical protein 0.003 0.1122 0.1159
Echinococcus granulosus histone lysine methyltransferase setb 0.0016 0.0201 0.0187
Plasmodium falciparum ataxin-2 like protein, putative 0.0021 0.0507 0.5
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0016 0.0201 0.0177
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.003 0.1122 0.1159
Loa Loa (eye worm) hypothetical protein 0.003 0.1132 0.1169
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0039 0.1751 0.1824
Echinococcus multilocularis muscleblind protein 1 0.0081 0.4704 0.4942
Brugia malayi hypothetical protein 0.0151 0.9492 1
Schistosoma mansoni aldehyde dehydrogenase 0.0039 0.1751 0.1731
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0016 0.0201 0.0187
Echinococcus multilocularis acetylcholinesterase 0.0066 0.3656 0.3835
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.003 0.1132 0.1169
Onchocerca volvulus 0.003 0.1132 0.1221
Echinococcus multilocularis glycine receptor subunit alpha 1 0.003 0.1132 0.1169
Echinococcus multilocularis glycine receptor subunit beta 0.003 0.1132 0.1169
Loa Loa (eye worm) hypothetical protein 0.003 0.1132 0.1169
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.003 0.1132 0.1192
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.003 0.1132 0.1169
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.003 0.1132 0.1192
Loa Loa (eye worm) ACC-1 protein 0.003 0.1132 0.1169
Schistosoma mansoni nAChR subunit 0.003 0.1132 0.111
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.003 0.1132 0.1169
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.003 0.1132 0.1169
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0102 0.6158 0.6478
Loa Loa (eye worm) hypothetical protein 0.003 0.1132 0.1169
Loa Loa (eye worm) hypothetical protein 0.0016 0.0184 0.0168
Brugia malayi Pre-SET motif family protein 0.0016 0.0201 0.0212
Echinococcus multilocularis glycine receptor subunit beta 0.003 0.1132 0.1169
Schistosoma mansoni nAChR subunit 0.003 0.1132 0.111
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0039 0.1751 0.5
Echinococcus multilocularis polycomb protein SCMH1 0.0026 0.0874 0.0897
Brugia malayi hypothetical protein 0.0014 0.0025 0.0026
Loa Loa (eye worm) hypothetical protein 0.003 0.1132 0.1169
Plasmodium falciparum ataxin-2 like protein, putative 0.0021 0.0507 0.5
Loa Loa (eye worm) hypothetical protein 0.0066 0.3656 0.3835
Mycobacterium ulcerans aldehyde dehydrogenase 0.0039 0.1751 0.5
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.003 0.1132 0.1192
Entamoeba histolytica hypothetical protein 0.0016 0.0184 0.5
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.003 0.1132 0.1192
Schistosoma mansoni sex comb on midleg homolog 0.0026 0.0874 0.0851
Schistosoma mansoni neurotransmitter gated ion channel 0.0016 0.0184 0.016
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.003 0.1132 0.1192
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.003 0.1132 0.111
Loa Loa (eye worm) hypothetical protein 0.0016 0.0184 0.0168
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.003 0.1132 0.1192
Schistosoma mansoni hypothetical protein 0.0031 0.1201 0.1179
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.003 0.1132 0.1169
Loa Loa (eye worm) hypothetical protein 0.0145 0.9088 0.9573
Echinococcus granulosus SAM and MBT domain containing protein 0.0026 0.0874 0.0897
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.003 0.1132 0.1169
Onchocerca volvulus 0.003 0.1132 0.1221
Echinococcus multilocularis acetylcholinesterase 0.0066 0.3656 0.3835
Echinococcus multilocularis muscleblind protein 0.0081 0.4704 0.4942
Echinococcus granulosus glycine receptor subunit beta 0.003 0.1132 0.1169
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.003 0.1132 0.1169
Plasmodium vivax ataxin-2 like protein, putative 0.0021 0.0507 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0184 0.0168
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.003 0.1132 0.1169
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.003 0.1132 0.111
Loa Loa (eye worm) hypothetical protein 0.003 0.1132 0.1169
Brugia malayi hypothetical protein 0.0014 0.0025 0.0026
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.003 0.1122 0.1182
Loa Loa (eye worm) hypothetical protein 0.003 0.1132 0.1169
Brugia malayi hypothetical protein 0.0014 0.0025 0.0026
Loa Loa (eye worm) hypothetical protein 0.003 0.1132 0.1169
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0039 0.1751 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0184 0.0168
Schistosoma mansoni nAChR subunit 0.003 0.1132 0.111
Echinococcus multilocularis nAChR subunit 0.0016 0.0184 0.0168
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0016 0.0184 0.0194
Echinococcus granulosus nAChR subunit 0.0016 0.0184 0.0168
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.003 0.1132 0.1192
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.003 0.1132 0.1169
Echinococcus granulosus carboxylesterase 5A 0.0066 0.3656 0.3835
Onchocerca volvulus 0.003 0.1132 0.1221
Brugia malayi excitatory GABA receptor EXP-1A 0.003 0.1132 0.1192
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.003 0.1132 0.1169
Loa Loa (eye worm) hypothetical protein 0.003 0.1132 0.1169
Onchocerca volvulus Huntingtin homolog 0.0145 0.9088 1
Echinococcus granulosus acetylcholinesterase 0.0066 0.3656 0.3835
Loa Loa (eye worm) hypothetical protein 0.0016 0.0184 0.0168
Echinococcus multilocularis nAChR subunit 0.003 0.1132 0.1169
Loa Loa (eye worm) hypothetical protein 0.0016 0.0201 0.0187
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.0016 0.0184 0.016
Brugia malayi Acetylcholine receptor protein, alpha-like chain 1 precursor 0.0014 0.0025 0.0026
Mycobacterium ulcerans aldehyde dehydrogenase 0.0039 0.1751 0.5
Brugia malayi Pre-SET motif family protein 0.0113 0.6917 0.7287
Loa Loa (eye worm) hypothetical protein 0.0151 0.9492 1
Brugia malayi Carboxylesterase family protein 0.0066 0.3656 0.3851
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.003 0.1132 0.1169
Mycobacterium ulcerans aldehyde dehydrogenase 0.0039 0.1751 0.5
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.003 0.1122 0.1159
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.003 0.1132 0.111
Schistosoma mansoni nAChR subunit 0.003 0.1132 0.111
Echinococcus multilocularis SAM and MBT domain containing protein 0.0026 0.0874 0.0897
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.003 0.1132 0.1169
Schistosoma mansoni nAChR subunit 0.003 0.1132 0.111
Loa Loa (eye worm) hypothetical protein 0.003 0.1132 0.1169
Echinococcus multilocularis histone acetyltransferase MYST2 0.003 0.1122 0.1159
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0016 0.0184 0.016
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0031 0.1201 0.1265
Brugia malayi Cation transporter family protein 0.003 0.1132 0.1192
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.003 0.1132 0.1192
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.003 0.1132 0.1192
Brugia malayi mbt repeat family protein 0.0026 0.0874 0.092
Trypanosoma cruzi PAB1-binding protein , putative 0.0021 0.0507 0.5

Activities

No activities found for this compound.

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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