Detailed information for compound 1211200

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 306.83 | Formula: C17H23ClN2O
  • H donors: 2 H acceptors: 0 LogP: 4.52 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CNCCCCOc1ccccc1Nc1ccccc1.Cl
  • InChi: 1S/C17H22N2O.ClH/c1-18-13-7-8-14-20-17-12-6-5-11-16(17)19-15-9-3-2-4-10-15;/h2-6,9-12,18-19H,7-8,13-14H2,1H3;1H
  • InChiKey: SCECSKPSDJJXBP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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 granulosus beta LACTamase domain containing family member 0.0042 0.0483 0.0603
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0042 0.0483 0.5
Loa Loa (eye worm) solute carrier family 6 member 4 0.0152 0.3663 0.3663
Echinococcus granulosus muscleblind protein 0.0176 0.4362 0.5441
Echinococcus multilocularis leukotriene A 4 hydrolase 0.0255 0.6652 0.8297
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0157 0.3802 0.4743
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0157 0.3802 0.4743
Schistosoma mansoni sodium/chloride dependent transporter 0.0152 0.3663 0.4569
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0082 0.1617 0.1617
Loa Loa (eye worm) hypothetical protein 0.0042 0.0483 0.0483
Echinococcus granulosus glutamate receptor ionotropic kainate 3 0.0053 0.0777 0.097
Echinococcus granulosus Ribosomal protein S1 RNA binding domain 0.0053 0.0777 0.097
Echinococcus multilocularis glutamate receptor NMDA 0.0076 0.1461 0.1823
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0082 0.1617 0.2017
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0053 0.0777 0.097
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0042 0.0483 0.0483
Loa Loa (eye worm) hypothetical protein 0.0033 0.0204 0.0204
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0152 0.3663 0.4569
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0033 0.0204 0.0254
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0082 0.1617 0.1617
Mycobacterium leprae conserved hypothetical protein 0.0042 0.0483 0.5
Loa Loa (eye worm) hypothetical protein 0.0042 0.0483 0.0483
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0082 0.1617 0.2017
Loa Loa (eye worm) hypothetical protein 0.0042 0.0483 0.0483
Schistosoma mansoni glutamate receptor NMDA 0.0302 0.8017 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0042 0.0483 0.0483
Loa Loa (eye worm) hypothetical protein 0.0082 0.1617 0.1617
Plasmodium falciparum amino acid transporter, putative 0.0026 0 0.5
Loa Loa (eye worm) glutamate receptor 1 0.0142 0.3376 0.3376
Echinococcus multilocularis glutamate receptor subunit protein glur 0.0053 0.0777 0.097
Loa Loa (eye worm) hypothetical protein 0.0042 0.0483 0.0483
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0157 0.3802 0.4743
Schistosoma mansoni glutamate receptor NMDA 0.0233 0.6012 0.75
Schistosoma mansoni voltage-gated potassium channel 0.0124 0.2841 0.3544
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0255 0.6652 0.8297
Loa Loa (eye worm) hypothetical protein 0.0152 0.3663 0.3663
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0113 0.2539 0.3167
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0157 0.3802 0.4743
Loa Loa (eye worm) hypothetical protein 0.0176 0.4362 0.4362
Echinococcus granulosus voltage gated potassium channel 0.0033 0.0204 0.0254
Schistosoma mansoni ATP-binding cassette transporter 0.0142 0.3376 0.4211
Onchocerca volvulus Putative nachr subunit 0.0082 0.1617 0.4415
Echinococcus granulosus serotonin transporter 0.0152 0.3663 0.4569
Loa Loa (eye worm) hypothetical protein 0.0152 0.3663 0.3663
Plasmodium falciparum transporter, putative 0.0026 0 0.5
Echinococcus multilocularis muscleblind protein 1 0.0176 0.4362 0.5441
Echinococcus multilocularis NMDA receptor 0.0053 0.0777 0.097
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0113 0.2539 0.2539
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0113 0.2539 0.3167
Loa Loa (eye worm) norepinephrine transporter 0.0152 0.3663 0.3663
Onchocerca volvulus 0.0152 0.3663 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0113 0.2539 0.2539
Schistosoma mansoni glutamate receptor AMPA 0.0142 0.3376 0.4211
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0157 0.3802 0.4743
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0157 0.3802 0.4743
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0042 0.0483 0.0603
Schistosoma mansoni hypothetical protein 0.0053 0.0777 0.097
Mycobacterium ulcerans lipase LipD 0.0042 0.0483 0.5
Echinococcus granulosus glutamate receptor 2 0.0157 0.3802 0.4743
Echinococcus multilocularis nmda type glutamate receptor 0.0129 0.2988 0.3727
Echinococcus multilocularis muscleblind protein 0.0176 0.4362 0.5441
Echinococcus multilocularis glutamate receptor 2 0.0142 0.3376 0.4211
Echinococcus granulosus glutamate receptor NMDA 0.0076 0.1461 0.1823
Schistosoma mansoni voltage-gated potassium channel 0.0033 0.0204 0.0254
Mycobacterium ulcerans hypothetical protein 0.0042 0.0483 0.5
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0033 0.0204 0.0254
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0255 0.6652 0.6652
Loa Loa (eye worm) hypothetical protein 0.0152 0.3663 0.3663
Echinococcus granulosus glutamate receptor ionotropic kainate 0.0053 0.0777 0.097
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0106 0.2323 1
Loa Loa (eye worm) beta-lactamase 0.0042 0.0483 0.0483
Schistosoma mansoni glutamate receptor kainate 0.0142 0.3376 0.4211
Schistosoma mansoni glutamate receptor kainate 0.0142 0.3376 0.4211
Plasmodium vivax hypothetical protein, conserved 0.0042 0.0483 1
Echinococcus granulosus glutamate NMDA receptor subunit 0.0302 0.8017 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0042 0.0483 0.0603
Mycobacterium ulcerans esterase/lipase LipP 0.0042 0.0483 0.5
Echinococcus multilocularis nmda type glutamate receptor 0.0091 0.1888 0.2355
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0152 0.3663 0.3663
Loa Loa (eye worm) hypothetical protein 0.0098 0.2105 0.2105
Echinococcus multilocularis glutamate receptor 2 0.0104 0.2276 0.2839
Mycobacterium leprae Probable lipase LipE 0.0042 0.0483 0.5
Loa Loa (eye worm) hypothetical protein 0.0176 0.4362 0.4362
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0371 1 1
Loa Loa (eye worm) glutamate receptor 2 0.0142 0.3376 0.3376
Mycobacterium ulcerans beta-lactamase 0.0042 0.0483 0.5
Echinococcus multilocularis voltage gated potassium channel 0.0033 0.0204 0.0254
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0082 0.1617 0.2017
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0157 0.3802 0.4743
Onchocerca volvulus 0.0042 0.0483 0.1319
Loa Loa (eye worm) serotonin transporter b 0.0152 0.3663 0.3663
Onchocerca volvulus 0.0042 0.0483 0.1319
Echinococcus multilocularis serotonin transporter 0.0152 0.3663 0.4569
Echinococcus multilocularis glutamate receptor ionotropic kainate 0.0053 0.0777 0.097
Echinococcus multilocularis Ribosomal protein S1, RNA binding domain 0.0053 0.0777 0.097
Schistosoma mansoni voltage-gated potassium channel 0.0124 0.2841 0.3544
Echinococcus multilocularis glutamate receptor 2 0.0157 0.3802 0.4743
Schistosoma mansoni glutamate receptor AMPA 0.0142 0.3376 0.4211
Treponema pallidum sodium- and chloride- dependent transporter 0.0152 0.3663 0.5
Onchocerca volvulus 0.0042 0.0483 0.1319
Schistosoma mansoni voltage-gated potassium channel 0.0033 0.0204 0.0254
Leishmania major C-8 sterol isomerase-like protein 0.0371 1 1
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0082 0.1617 0.2017
Loa Loa (eye worm) hypothetical protein 0.0189 0.4745 0.4745
Loa Loa (eye worm) hypothetical protein 0.0042 0.0483 0.0483
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0082 0.1617 0.2017
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0271 0.7121 1
Echinococcus granulosus glutamate receptor subunit protein glur 0.0053 0.0777 0.097
Echinococcus multilocularis beta LACTamase domain containing family member 0.0042 0.0483 0.0603
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0026 0 0.5
Brugia malayi Muscleblind-like protein 0.0176 0.4362 0.4362
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0033 0.0204 0.0204
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0302 0.8017 1
Brugia malayi beta-lactamase family protein 0.0042 0.0483 0.0483
Brugia malayi hypothetical protein 0.0117 0.2654 0.2654
Echinococcus granulosus nmda type glutamate receptor 0.0091 0.1888 0.2355
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0157 0.3802 0.4743
Echinococcus granulosus nmda type glutamate receptor 0.0129 0.2988 0.3727
Brugia malayi beta-lactamase family protein 0.0042 0.0483 0.0483
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0082 0.1617 0.2017
Trypanosoma brucei C-8 sterol isomerase, putative 0.0371 1 1
Toxoplasma gondii ABC1 family protein 0.0042 0.0483 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.0483 0.0483
Brugia malayi Glutamate receptor 1 precursor 0.0142 0.3376 0.3376
Echinococcus granulosus leukotriene A 4 hydrolase 0.0255 0.6652 0.8297
Brugia malayi Glutamate receptor 2 precursor 0.0142 0.3376 0.3376
Schistosoma mansoni glutamate receptor kainate 0.0142 0.3376 0.4211
Brugia malayi beta-lactamase 0.0042 0.0483 0.0483
Echinococcus granulosus glutamate receptor 2 0.0104 0.2276 0.2839
Loa Loa (eye worm) hypothetical protein 0.0371 1 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0106 0.2323 1

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.
 
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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