Detailed information for compound 1750277

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 489.586 | Formula: C27H27N3O4S
  • H donors: 0 H acceptors: 2 LogP: 4.17 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1CCOc2c(C1)cc(cc2OC1COCC1)c1csc2c1cccc2)Cn1nccc1C
  • InChi: 1S/C27H27N3O4S/c1-18-6-8-28-30(18)15-26(31)29-9-11-33-27-20(14-29)12-19(13-24(27)34-21-7-10-32-16-21)23-17-35-25-5-3-2-4-22(23)25/h2-6,8,12-13,17,21H,7,9-11,14-16H2,1H3
  • InChiKey: RMFNQTPKYIHAKK-UHFFFAOYSA-N  

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
Brugia malayi ERG2 and Sigma1 receptor like protein 0.1084 0.6388 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0505 0.2638 0.7142
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0668 0.3694 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0505 0.2638 0.6826
Loa Loa (eye worm) hypothetical protein 0.1084 0.6388 1
Echinococcus granulosus glutamate receptor 2 0.0174 0.049 0.1328
Schistosoma mansoni glutamate receptor NMDA 0.032 0.144 0.3224
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0222 0.0801 0.5
Loa Loa (eye worm) glutamate receptor 2 0.0155 0.0367 0.0555
Plasmodium vivax hypothetical protein, conserved 0.0222 0.0801 0.5
Loa Loa (eye worm) hypothetical protein 0.0716 0.4001 0.6256
Schistosoma mansoni glutamate receptor NMDA 0.0253 0.1001 0.1906
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.01 0.0014 0.0037
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0222 0.0801 0.1303
Loa Loa (eye worm) hypothetical protein 0.0505 0.2638 0.4117
Loa Loa (eye worm) hypothetical protein 0.0222 0.0801 0.1235
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0174 0.049 0.1328
Loa Loa (eye worm) hypothetical protein 0.0222 0.0801 0.1235
Echinococcus multilocularis glutamate receptor 2 0.0174 0.049 0.1328
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.1421 0.8565 1
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.01 0.0014 0.0037
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.1642 1 1
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0222 0.0801 0.5
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.01 0.0014 0.0037
Echinococcus multilocularis nmda type glutamate receptor 0.016 0.0401 0.1085
Loa Loa (eye worm) glutamate receptor 1 0.0155 0.0367 0.0555
Schistosoma mansoni amine oxidase 0.0222 0.0801 0.1303
Echinococcus multilocularis serotonin receptor 0.0505 0.2638 0.7142
Echinococcus granulosus glutamate NMDA receptor subunit 0.032 0.144 0.3897
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0174 0.049 0.1328
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0174 0.049 0.1328
Loa Loa (eye worm) serotonin transporter b 0.0234 0.0879 0.1357
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.01 0.0014 0.0037
Onchocerca volvulus CoRest homolog 0.0184 0.0558 0.1364
Echinococcus granulosus nmda type glutamate receptor 0.016 0.0401 0.1085
Loa Loa (eye worm) hypothetical protein 0.0179 0.0524 0.08
Trypanosoma cruzi C-8 sterol isomerase, putative 0.1084 0.6388 1
Loa Loa (eye worm) hypothetical protein 0.0554 0.2955 0.4614
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0222 0.0801 0.5
Echinococcus multilocularis protoporphyrinogen oxidase 0.0222 0.0801 0.2168
Schistosoma mansoni amine oxidase 0.0222 0.0801 0.1303
Echinococcus granulosus lysine specific histone demethylase 1A 0.0222 0.0801 0.2168
Echinococcus multilocularis glutamate receptor 2 0.0112 0.009 0.0243
Loa Loa (eye worm) hypothetical protein 0.0234 0.0879 0.1357
Echinococcus granulosus lysine specific histone demethylase 1A 0.0668 0.3694 1
Trypanosoma brucei C-8 sterol isomerase, putative 0.1084 0.6388 0.5
Echinococcus multilocularis 0.0222 0.0801 0.2168
Chlamydia trachomatis protoporphyrinogen oxidase 0.0222 0.0801 0.5
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0174 0.049 0.1328
Loa Loa (eye worm) hypothetical protein 0.0668 0.3694 0.5774
Loa Loa (eye worm) hypothetical protein 0.0184 0.0558 0.0853
Loa Loa (eye worm) hypothetical protein 0.0505 0.2638 0.4117
Echinococcus granulosus serotonin transporter 0.0234 0.0879 0.2379
Plasmodium vivax hypothetical protein, conserved 0.0222 0.0801 0.5
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0222 0.0801 0.5
Onchocerca volvulus 0.0234 0.0879 0.2169
Echinococcus multilocularis glutamate receptor 2 0.0155 0.0367 0.0994
Brugia malayi Myb-like DNA-binding domain containing protein 0.0179 0.0524 0.08
Loa Loa (eye worm) hypothetical protein 0.0234 0.0879 0.1357
Echinococcus granulosus glutamate receptor 2 0.0112 0.009 0.0243
Plasmodium falciparum protoporphyrinogen oxidase 0.0222 0.0801 0.5
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0222 0.0801 0.5
Treponema pallidum sodium- and chloride- dependent transporter 0.0234 0.0879 0.5
Loa Loa (eye worm) hypothetical protein 0.0269 0.1108 0.1717
Loa Loa (eye worm) hypothetical protein 0.0234 0.0879 0.1357
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0668 0.3694 1
Leishmania major C-8 sterol isomerase-like protein 0.1084 0.6388 1
Brugia malayi amine oxidase, flavin-containing family protein 0.0269 0.1108 0.1717
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0174 0.049 0.1328
Echinococcus multilocularis serotonin transporter 0.0234 0.0879 0.2379
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.032 0.144 0.3897
Loa Loa (eye worm) norepinephrine transporter 0.0234 0.0879 0.1357
Brugia malayi Glutamate receptor 2 precursor 0.0155 0.0367 0.0555
Brugia malayi SWIRM domain containing protein 0.0716 0.4001 0.6256
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.01 0.0014 0.0037
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0174 0.049 0.1328
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0174 0.049 0.1328
Schistosoma mansoni sodium/chloride dependent transporter 0.0234 0.0879 0.1537
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0222 0.0801 0.5
Brugia malayi hypothetical protein 0.0222 0.0801 0.1235
Onchocerca volvulus 0.0716 0.4001 1
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0174 0.049 0.1328
Loa Loa (eye worm) solute carrier family 6 member 4 0.0234 0.0879 0.1357
Echinococcus multilocularis serotonin receptor 0.0505 0.2638 0.7142
Brugia malayi Glutamate receptor 1 precursor 0.0155 0.0367 0.0555
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.01 0.0014 0.0037
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0234 0.0879 0.1537
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0234 0.0879 0.1357
Toxoplasma gondii histone lysine-specific demethylase 0.0222 0.0801 0.5
Loa Loa (eye worm) hypothetical protein 0.0668 0.3694 0.5774

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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