Detailed information for compound 1803426

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 350.411 | Formula: C21H22N2O3
  • H donors: 0 H acceptors: 1 LogP: 5.22 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CON=C(c1ccccc1COc1cc(C)ccc1C)c1noc(c1)C
  • InChi: 1S/C21H22N2O3/c1-14-9-10-15(2)20(11-14)25-13-17-7-5-6-8-18(17)21(23-24-4)19-12-16(3)26-22-19/h5-12H,13H2,1-4H3
  • InChiKey: YJMFXRBBLLGFNP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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 multilocularis neutral amino acid transporter A 0.0122 0.4516 0.696
Loa Loa (eye worm) hypothetical protein 0.0147 0.5796 0.5796
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.1264 1
Plasmodium vivax hypothetical protein, conserved 0.0035 0 0.5
Treponema pallidum glutamate/aspartate transporter 0.0054 0.0977 0.5
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0008 0.5
Echinococcus granulosus sodium:dicarboxylate symporter 0.0122 0.4516 0.696
Echinococcus multilocularis Excitatory amino acid transporter 0.0122 0.4516 0.696
Echinococcus granulosus muscleblind protein 0.0147 0.5796 0.8933
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.1264 1
Echinococcus multilocularis muscleblind protein 1 0.0147 0.5796 0.8933
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0054 0.0977 0.1833
Mycobacterium leprae conserved hypothetical protein 0.0035 0 0.5
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0122 0.4516 0.696
Trichomonas vaginalis sucrase-isomaltase, putative 0.0036 0.0008 1
Echinococcus granulosus excitatory amino acid transporter 2 0.0122 0.4516 0.696
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0036 0.0008 0.006
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0008 1
Schistosoma mansoni alpha glucosidase 0.0036 0.0008 0.0014
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.006 0.1264 0.1274
Loa Loa (eye worm) excitatory amino acid transporter 0.0122 0.4516 0.4516
Mycobacterium leprae Probable lipase LipE 0.0035 0 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0008 1
Echinococcus granulosus excitatory amino acid transporter 3 0.0122 0.4516 0.696
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0008 1
Echinococcus multilocularis excitatory amino acid transporter 2 0.0122 0.4516 0.696
Echinococcus multilocularis neutral amino acid transporter A 0.0122 0.4516 0.696
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.1264 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0498 0.0498
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.1264 0.1947
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.1264 0.2371
Echinococcus granulosus Excitatory amino acid transporter 0.0122 0.4516 0.696
Schistosoma mansoni solute carrier family 1 (glial high affinity glutamate transporter 0.0122 0.4516 0.8475
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0228 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0498 0.0934
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0008 0.5
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.1264 0.1947
Echinococcus multilocularis neutral alpha glucosidase AB 0.0036 0.0008 0.0012
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0498 0.0767
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0122 0.4516 0.696
Echinococcus granulosus neutral amino acid transporter 0.0122 0.4516 0.696
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.1264 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0161 0.6489 0.6489
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.4263 0.4263
Leishmania major alpha glucosidase II subunit, putative 0.0036 0.0008 0.006
Schistosoma mansoni alpha-glucosidase 0.0138 0.5329 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0498 0.0934
Onchocerca volvulus 0.0093 0.2977 0.6592
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0008 1
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.1264 0.2371
Brugia malayi Glycosyl hydrolases family 31 protein 0.0161 0.6489 0.6489
Chlamydia trachomatis glutamate symporter 0.0122 0.4516 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0036 0.0008 0.0008
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0498 0.0498
Echinococcus multilocularis lysosomal alpha glucosidase 0.0161 0.6489 1
Echinococcus multilocularis muscleblind protein 0.0147 0.5796 0.8933
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0008 1
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0054 0.0977 0.1833
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.4263 0.4263
Wolbachia endosymbiont of Brugia malayi Na+/H+-dicarboxylate symporter 0.0122 0.4516 0.5
Brugia malayi Glycosyl hydrolases family 31 protein 0.0036 0.0008 0.0008
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0008 1
Echinococcus granulosus neutral alpha glucosidase AB 0.0036 0.0008 0.0012
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0054 0.0977 0.1505
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0498 0.0767
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0227 0.9919 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0498 0.0934
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0498 0.0767
Echinococcus granulosus Excitatory amino acid transporter 0.0122 0.4516 0.696
Mycobacterium tuberculosis Probable C4-dicarboxylate-transport transmembrane protein DctA 0.0122 0.4516 0.4553
Treponema pallidum glutamate transporter 0.0054 0.0977 0.5
Echinococcus multilocularis excitatory amino acid transporter 2 0.0122 0.4516 0.696
Echinococcus multilocularis excitatory amino acid transporter 3 0.0122 0.4516 0.696
Echinococcus granulosus lysosomal alpha glucosidase 0.0161 0.6489 1
Schistosoma mansoni alpha-glucosidase 0.0138 0.5329 1
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.1264 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0161 0.6489 1
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0054 0.0977 0.1505
Echinococcus multilocularis neutral amino acid transporter A 0.0122 0.4516 0.696
Trypanosoma brucei glucosidase, putative 0.0036 0.0008 1
Brugia malayi Muscleblind-like protein 0.0147 0.5796 0.5796
Onchocerca volvulus Excitatory amino acid transporter homolog 0.0122 0.4516 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0008 1
Trichomonas vaginalis maltase-glucoamylase, putative 0.0036 0.0008 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0008 1
Loa Loa (eye worm) hypothetical protein 0.0147 0.5796 0.5796
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0008 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0498 0.0767
Echinococcus granulosus neutral amino acid transporter A 0.0122 0.4516 0.696
Echinococcus multilocularis Excitatory amino acid transporter 0.0122 0.4516 0.696
Echinococcus granulosus neutral amino acid transporter A 0.0122 0.4516 0.696
Brugia malayi Excitatory amino acid transporter 0.0122 0.4516 0.4516
Echinococcus granulosus excitatory amino acid transporter 2 0.0122 0.4516 0.696
Brugia malayi MH2 domain containing protein 0.0118 0.4263 0.4263

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.