Detailed information for compound 978527

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 350.368 | Formula: C20H18N2O4
  • H donors: 1 H acceptors: 2 LogP: 3.78 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)c1onc(c1)C(=O)NCCc1ccc2c(c1)OCO2
  • InChi: 1S/C20H18N2O4/c1-13-2-5-15(6-3-13)18-11-16(22-26-18)20(23)21-9-8-14-4-7-17-19(10-14)25-12-24-17/h2-7,10-11H,8-9,12H2,1H3,(H,21,23)
  • InChiKey: VTGAZQDJLUWDAU-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 GPCR family 2 0.0016 0.0088 0.0088
Mycobacterium ulcerans amidase 0.0015 0 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.2748 0.2748
Mycobacterium tuberculosis Probable amidase AmiB2 (aminohydrolase) 0.0015 0 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.3145 0.3145
Echinococcus granulosus fatty acid amide hydrolase 1 0.0123 0.9679 0.9679
Loa Loa (eye worm) RNA binding protein 0.0127 1 1
Mycobacterium tuberculosis Probable amidase AmiC (aminohydrolase) 0.0015 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0127 1 1
Brugia malayi RNA recognition motif domain containing protein 0.0127 1 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0088 0.0088
Wolbachia endosymbiont of Brugia malayi aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0015 0 0.5
Mycobacterium ulcerans aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0015 0 0.5
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0123 0.9679 0.9679
Schistosoma mansoni hypothetical protein 0.0016 0.0088 0.0088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.2748 0.2748
Schistosoma mansoni tar DNA-binding protein 0.0127 1 1
Mycobacterium ulcerans amidase 0.0015 0 0.5
Schistosoma mansoni hypothetical protein 0.0034 0.173 0.173
Schistosoma mansoni hypothetical protein 0.0016 0.0088 0.0088
Mycobacterium leprae PROBABLE AMIDASE AMIC (AMINOHYDROLASE) 0.0015 0 0.5
Plasmodium vivax glutamyl-tRNA(Gln) amidotransferase subunit A, putative 0.0015 0 0.5
Mycobacterium tuberculosis Possible amidase (aminohydrolase) 0.0015 0 0.5
Mycobacterium ulcerans amidase 0.0015 0 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.3145 0.3145
Echinococcus granulosus fatty acid amide hydrolase 1 0.0123 0.9679 0.9679
Schistosoma mansoni hypothetical protein 0.0016 0.0088 0.0088
Trypanosoma cruzi amidase, putative 0.0015 0 0.5
Treponema pallidum aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0015 0 0.5
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0088 0.0088
Schistosoma mansoni hypothetical protein 0.0016 0.0088 0.0088
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0127 1 1
Mycobacterium leprae PROBABLE GLUTAMYL-TRNA(GLN) AMIDOTRANSFERASE (SUBUNIT A) GATA (Glu-ADT SUBUNIT A) 0.0015 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.2748 0.2748
Schistosoma mansoni fatty-acid amide hydrolase 0.0123 0.9679 0.9679
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.2748 0.2748
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0088 0.0088
Mycobacterium tuberculosis Probable amidase AmiA2 (aminohydrolase) 0.0015 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0034 0.173 0.173
Leishmania major hypothetical protein, conserved 0.0015 0 0.5
Brugia malayi TAR-binding protein 0.0127 1 1
Schistosoma mansoni tar DNA-binding protein 0.0127 1 1
Echinococcus granulosus tar DNA binding protein 0.0127 1 1
Mycobacterium tuberculosis Probable amidase AmiD (acylamidase) (acylase) 0.0015 0 0.5
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0088 0.0088
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0088 0.0088
Loa Loa (eye worm) hypothetical protein 0.0123 0.9679 0.9679
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0123 0.9679 0.9679
Schistosoma mansoni tar DNA-binding protein 0.0127 1 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0088 0.0088
Echinococcus multilocularis GPCR, family 2 0.0016 0.0088 0.0088
Mycobacterium ulcerans peptide amidase, GatA 0.0015 0 0.5
Echinococcus multilocularis tar DNA binding protein 0.0127 1 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0088 0.0088
Schistosoma mansoni amidase 0.0123 0.9679 0.9679
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.2748 0.2748
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.2748 0.2748
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.173 0.173
Trypanosoma brucei fatty-acid amide hydrolase, putative 0.0015 0 0.5
Brugia malayi amidase 0.0123 0.9679 0.9679
Trypanosoma cruzi amidase, putative 0.0015 0 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.2748 0.2748
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.3145 0.3145
Chlamydia trachomatis glutamyl-tRNA(Gln) amidotransferase subunit A 0.0015 0 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.2748 0.2748
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.2748 0.2748
Mycobacterium ulcerans amidase 0.0015 0 0.5
Loa Loa (eye worm) TAR-binding protein 0.0127 1 1
Mycobacterium ulcerans amidase 0.0015 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0127 1 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0088 0.0088
Plasmodium falciparum glutamyl-tRNA(Gln) amidotransferase subunit A 0.0015 0 0.5
Loa Loa (eye worm) hypothetical protein 0.005 0.3145 0.3145

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 79.4 uM Inhibition of human recombinant FAAH expressed in Escherichia coli using [3H]AEA substrate incubated at 37 degC for 10 mins by liquid scintillation counting method ChEMBL. 21612933

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

1 literature reference was collected for this gene.

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