Detailed information for compound 1075685

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 394.464 | Formula: C23H26N2O4
  • H donors: 1 H acceptors: 2 LogP: 2.26 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Nc1ccc(cc1)C(=O)N1CCOC2(C1)CC(C)(C)Oc1c2cccc1
  • InChi: 1S/C23H26N2O4/c1-16(26)24-18-10-8-17(9-11-18)21(27)25-12-13-28-23(15-25)14-22(2,3)29-20-7-5-4-6-19(20)23/h4-11H,12-15H2,1-3H3,(H,24,26)
  • InChiKey: METGKJXSNUFDCU-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 multilocularis tar DNA binding protein 0.0064 0.0659 0.0621
Trichomonas vaginalis alpha-glucosidase, putative 0.0077 0.0836 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0076 0.017
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0624 0.1583
Echinococcus granulosus dna polymerase eta 0.0019 0.0076 0.0082
Schistosoma mansoni alpha-glucosidase 0.03 0.3729 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0077 0.0836 0.1793
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0076 0.017
Trichomonas vaginalis alpha-glucosidase, putative 0.0029 0.0205 0.1702
Mycobacterium tuberculosis Conserved protein 0.0035 0.0283 0.0783
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0061 0.0624 0.1352
Brugia malayi RNA recognition motif domain containing protein 0.0064 0.0659 0.1393
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0076 0.008
Schistosoma mansoni survival motor neuron protein 0.0047 0.0436 0.1072
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0077 0.0836 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0283 0.0656
Schistosoma mansoni hypothetical protein 0.0166 0.1981 0.5262
Trypanosoma brucei glucosidase, putative 0.0077 0.0836 0.1867
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0076 0.0036
Schistosoma mansoni hypothetical protein 0.0047 0.0436 0.1072
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0076 0.017
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0436 0.0891
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0429 0.039
Trypanosoma brucei C-8 sterol isomerase, putative 0.0358 0.4477 1
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0076 0.017
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0076 0.008
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0349 0.4359 0.9734
Brugia malayi MH2 domain containing protein 0.0237 0.2906 0.6458
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0076 0.017
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0659 0.1676
Leishmania major hypothetical protein, conserved 0.0035 0.0283 0.0469
Trichomonas vaginalis alpha-glucosidase, putative 0.0029 0.0205 0.1702
Schistosoma mansoni hypothetical protein 0.0166 0.1981 0.5262
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0283 0.0783
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0061 0.0624 0.0586
Mycobacterium ulcerans beta-lactamase 0.0035 0.0283 0.3768
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0659 0.1676
Brugia malayi Glycosyl hydrolases family 31 protein 0.0029 0.0205 0.0371
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0283 0.056
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0659 0.1676
Trichomonas vaginalis maltase-glucoamylase, putative 0.0077 0.0836 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0429 0.0875
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0429 0.1052
Schistosoma mansoni DNA polymerase eta 0.0019 0.0076 0.0096
Toxoplasma gondii aldehyde dehydrogenase 0.0061 0.0624 0.6176
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0283 0.2719
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0283 0.0783
Trichomonas vaginalis alpha-glucosidase, putative 0.0077 0.0836 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0283 0.0546
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0077 0.0836 1
Giardia lamblia DINP protein human, muc B family 0.0019 0.0076 0.5
Leishmania major alpha glucosidase II subunit, putative 0.0077 0.0836 0.1727
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0283 0.5
Loa Loa (eye worm) hypothetical protein 0.0035 0.0283 0.0546
Trypanosoma cruzi hypothetical protein, conserved 0.0077 0.0836 0.1727
Onchocerca volvulus 0.0035 0.0283 0.0344
Trypanosoma brucei glycosyl hydrolase-like protein 0.0029 0.0205 0.0459
Loa Loa (eye worm) hypothetical protein 0.0035 0.0283 0.0546
Mycobacterium ulcerans hypothetical protein 0.0035 0.0283 0.3768
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0029 0.0205 0.0294
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0283 0.0783
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0076 0.0096
Echinococcus granulosus lysosomal alpha glucosidase 0.0349 0.4359 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0029 0.0205 0.1702
Echinococcus multilocularis geminin 0.0166 0.1981 0.1949
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0283 0.0631
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0624 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0077 0.0836 1
Onchocerca volvulus 0.0047 0.0436 0.1027
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0076 0.017
Mycobacterium leprae Probable lipase LipE 0.0035 0.0283 0.5
Echinococcus granulosus neutral alpha glucosidase AB 0.0077 0.0836 0.1842
Loa Loa (eye worm) hypothetical protein 0.0035 0.0283 0.0546
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0283 0.0656
Trichomonas vaginalis alpha-glucosidase, putative 0.0077 0.0836 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0349 0.4359 0.4336
Loa Loa (eye worm) TAR-binding protein 0.0064 0.0659 0.1393
Loa Loa (eye worm) hypothetical protein 0.0029 0.0205 0.0371
Trichomonas vaginalis sucrase-isomaltase, putative 0.0077 0.0836 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0076 0.017
Brugia malayi hypothetical protein 0.0228 0.2797 0.6212
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0283 0.0469
Loa Loa (eye worm) hypothetical protein 0.0228 0.2797 0.6212
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0283 0.0783
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0429 0.1052
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0064 0.0659 0.1393
Trichomonas vaginalis maltase-glucoamylase, putative 0.0029 0.0205 0.1702
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0429 0.0899
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0076 0.008
Brugia malayi Glycosyl hydrolases family 31 protein 0.0349 0.4359 0.9734
Echinococcus multilocularis survival motor neuron protein 1 0.0228 0.2797 0.2767
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0624 0.1583
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0283 0.3768
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0061 0.0624 0.1246
Loa Loa (eye worm) beta-lactamase 0.0035 0.0283 0.0546
Echinococcus multilocularis neutral alpha glucosidase AB 0.0077 0.0836 0.0799
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0076 0.017
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0283 0.0546
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0077 0.0836 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0624 1
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0283 0.0783
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0429 0.0899
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0283 0.0469
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0429 0.1052
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0029 0.0205 0.1702
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0076 0.017
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0076 0.017
Echinococcus granulosus survival motor neuron protein 1 0.0228 0.2797 0.6382
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0429 0.0875
Brugia malayi RNA binding protein 0.0064 0.0659 0.1393
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0076 0.017
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0077 0.0836 0.1793
Trichomonas vaginalis esterase, putative 0.0035 0.0283 0.2719
Trypanosoma brucei unspecified product 0.0019 0.0076 0.017
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0429 0.039
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.0076 0.017
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0029 0.0205 0.1702
Brugia malayi TAR-binding protein 0.0064 0.0659 0.1393
Schistosoma mansoni alpha glucosidase 0.0077 0.0836 0.2156
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0659 0.1676
Onchocerca volvulus 0.0035 0.0283 0.0344
Loa Loa (eye worm) transcription factor SMAD2 0.0237 0.2906 0.6458
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0283 0.2719
Trypanosoma cruzi hypothetical protein, conserved 0.0077 0.0836 0.1727
Brugia malayi beta-lactamase family protein 0.0035 0.0283 0.0546
Loa Loa (eye worm) hypothetical protein 0.0358 0.4477 1
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0076 0.0036
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0283 0.2719
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0283 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.0029 0.0205 0.1702
Loa Loa (eye worm) RNA binding protein 0.0064 0.0659 0.1393
Mycobacterium tuberculosis Conserved protein 0.0035 0.0283 0.0783
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0222 0.2716 1
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0283 0.3768
Trichomonas vaginalis alpha-glucosidase, putative 0.0077 0.0836 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0237 0.2906 0.6458
Echinococcus multilocularis lysosomal alpha glucosidase 0.0349 0.4359 0.4336
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0283 0.2719
Onchocerca volvulus 0.0035 0.0283 0.0344
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0076 0.017
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0061 0.0624 0.2077
Brugia malayi beta-lactamase family protein 0.0035 0.0283 0.0546
Leishmania major glycosyl hydrolase-like protein 0.0029 0.0205 0.0294
Echinococcus granulosus tar DNA binding protein 0.0064 0.0659 0.1431
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0358 0.4477 1
Brugia malayi beta-lactamase 0.0035 0.0283 0.0546
Loa Loa (eye worm) hypothetical protein 0.0035 0.0283 0.0546
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0283 0.0243
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0283 0.2719
Leishmania major C-8 sterol isomerase-like protein 0.0358 0.4477 1
Echinococcus multilocularis dna polymerase eta 0.0019 0.0076 0.0036
Onchocerca volvulus 0.0202 0.245 1
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0029 0.0205 0.0294
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0283 0.0783
Trichomonas vaginalis alpha-glucosidase, putative 0.0029 0.0205 0.1702
Mycobacterium ulcerans lipase LipD 0.0035 0.0283 0.3768
Loa Loa (eye worm) hypothetical protein 0.0019 0.0076 0.008
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0283 0.0783
Loa Loa (eye worm) hypothetical protein 0.0035 0.0283 0.0546
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0624 1
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0358 0.4477 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0283 0.0546
Trichomonas vaginalis alpha-glucosidase, putative 0.0029 0.0205 0.1702
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0076 0.017
Loa Loa (eye worm) hypothetical protein 0.0183 0.2206 0.488
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0077 0.0836 1
Echinococcus granulosus dna polymerase kappa 0.0019 0.0076 0.0082
Schistosoma mansoni alpha-glucosidase 0.03 0.3729 1
Mycobacterium tuberculosis Conserved protein 0.0035 0.0283 0.0783
Echinococcus granulosus geminin 0.0166 0.1981 0.4494
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0077 0.0836 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0076 0.0096
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0659 0.1676
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0076 0.0082

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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