Detailed information for compound 1119774

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 340.376 | Formula: C18H20N4O3
  • H donors: 1 H acceptors: 3 LogP: 1.95 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1c(cnc2c1c(C)nn2C)C(=O)NCc1ccc(cc1)OC
  • InChi: 1S/C18H20N4O3/c1-11-15-16(25-4)14(10-19-17(15)22(2)21-11)18(23)20-9-12-5-7-13(24-3)8-6-12/h5-8,10H,9H2,1-4H3,(H,20,23)
  • InChiKey: IBWPSCVRBAUJRW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear receptor subfamily 3, group C, member 1 (glucocorticoid receptor) Starlite/ChEMBL References

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
Loa Loa (eye worm) hypothetical protein 0.003 0.0685 0.1424
Loa Loa (eye worm) hypothetical protein 0.0027 0.0535 0.1113
Trichomonas vaginalis esterase, putative 0.0038 0.1023 0.5
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.003 0.0685 0.2471
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.003 0.0685 0.2471
Schistosoma mansoni intermediate filament proteins 0.0027 0.0557 0.1967
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0074 0.0154
Echinococcus multilocularis ecdysone induced protein 78C 0.003 0.0685 0.2471
Loa Loa (eye worm) transcription factor SMAD2 0.0121 0.4668 0.9711
Brugia malayi Nuclear hormone receptor family member nhr-49 0.003 0.0685 0.1424
Toxoplasma gondii ABC1 family protein 0.0038 0.1023 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.003 0.0685 0.1424
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.003 0.0685 0.1424
Brugia malayi Nuclear hormone receptor family member nhr-1 0.003 0.0685 0.1424
Echinococcus multilocularis FTZ F1 alpha 0.003 0.0685 0.2471
Loa Loa (eye worm) hypothetical protein 0.0016 0.0059 0.0122
Schistosoma mansoni retinoid-x-receptor (RXR) 0.003 0.0685 0.2471
Brugia malayi Nuclear hormone receptor family member nhr-19 0.003 0.0685 0.1424
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.1023 0.3807
Echinococcus multilocularis lamin 0.0027 0.0557 0.1967
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.1023 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.003 0.0685 0.1424
Entamoeba histolytica hypothetical protein 0.0074 0.2592 0.5
Onchocerca volvulus Huntingtin homolog 0.0125 0.4808 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.1023 0.2128
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0074 0.0154
Echinococcus granulosus GPCR family 2 0.0016 0.0074 0.0061
Brugia malayi Nuclear hormone receptor family member nhr-3 0.003 0.0685 0.1424
Brugia malayi steroid hormone receptor 0.003 0.0685 0.1424
Echinococcus granulosus nuclear receptor 2DBD gamma 0.003 0.0685 0.2471
Onchocerca volvulus 0.0038 0.1023 0.1097
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.003 0.0685 0.2471
Brugia malayi hypothetical protein 0.0074 0.2592 0.5392
Onchocerca volvulus Bile acid receptor homolog 0.003 0.0685 0.03
Loa Loa (eye worm) hypothetical protein 0.003 0.0685 0.1424
Leishmania major hypothetical protein, conserved 0.0038 0.1023 0.5
Brugia malayi Steroid receptor seven-up type 2 0.003 0.0685 0.1424
Schistosoma mansoni retinoic acid receptor RXR 0.003 0.0685 0.2471
Schistosoma mansoni hypothetical protein 0.0035 0.0906 0.3343
Schistosoma mansoni coup transcription factor 0.003 0.0685 0.2471
Brugia malayi Nuclear hormone receptor family member nhr-41 0.003 0.0685 0.1424
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.003 0.0685 0.2471
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.003 0.0685 0.2471
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.003 0.0685 0.2471
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0038 0.1023 0.5
Brugia malayi photoreceptor-specific nuclear receptor 0.003 0.0685 0.1424
Schistosoma mansoni hypothetical protein 0.0016 0.0074 0.0061
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.003 0.0685 0.2471
Loa Loa (eye worm) beta-lactamase 0.0038 0.1023 0.2128
Schistosoma mansoni hypothetical protein 0.0016 0.0074 0.0061
Mycobacterium leprae Probable lipase LipE 0.0038 0.1023 0.5
Loa Loa (eye worm) hypothetical protein 0.003 0.0685 0.1424
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0038 0.1023 0.2128
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.003 0.0685 0.2471
Schistosoma mansoni hypothetical protein 0.0016 0.0074 0.0061
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0074 0.2592 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0074 0.0061
Loa Loa (eye worm) hypothetical protein 0.0016 0.0059 0.0122
Loa Loa (eye worm) steroid hormone receptor 0.003 0.0685 0.1424
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.1023 0.5
Schistosoma mansoni thyroid hormone receptor 0.003 0.0685 0.2471
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0557 0.1159
Loa Loa (eye worm) hypothetical protein 0.0038 0.1023 0.2128
Brugia malayi nuclear receptor NHR-88 0.003 0.0685 0.1424
Schistosoma mansoni RAR-like nuclear receptor 0.003 0.0685 0.2471
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0038 0.1023 0.2128
Brugia malayi ecdysteroid receptor 0.003 0.0685 0.1424
Mycobacterium ulcerans esterase/lipase LipP 0.0038 0.1023 0.5
Schistosoma mansoni lamin 0.0027 0.0557 0.1967
Brugia malayi nuclear receptor RXR 0.0016 0.0059 0.0122
Loa Loa (eye worm) hypothetical protein 0.0052 0.1622 0.3374
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0557 0.1159
Brugia malayi Nuclear hormone receptor family member nhr-40 0.003 0.0685 0.1424
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.1023 0.3807
Brugia malayi Nuclear hormone receptor family member nhr-19 0.003 0.0685 0.1424
Loa Loa (eye worm) hypothetical protein 0.0027 0.0557 0.1159
Echinococcus multilocularis GPCR, family 2 0.0016 0.0074 0.0061
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.1622 0.3374
Brugia malayi Nuclear hormone receptor-like 1 0.003 0.0685 0.1424
Mycobacterium ulcerans lipase LipD 0.0038 0.1023 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0074 0.2592 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0074 0.0061
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.003 0.0685 0.1424
Schistosoma mansoni nuclear hormone receptor 0.003 0.0685 0.2471
Brugia malayi hypothetical protein 0.0016 0.0059 0.0122
Mycobacterium leprae conserved hypothetical protein 0.0038 0.1023 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.003 0.0685 0.2471
Brugia malayi Nuclear hormone receptor-like 1 0.0016 0.0059 0.0122
Brugia malayi intermediate filament protein 0.0027 0.0557 0.1159
Brugia malayi Nuclear hormone receptor family member nhr-31 0.003 0.0685 0.1424
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.003 0.0685 0.03
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.003 0.0685 0.1424
Loa Loa (eye worm) hypothetical protein 0.0035 0.0906 0.1884
Brugia malayi beta-lactamase family protein 0.0038 0.1023 0.2128
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.003 0.0685 0.2471
Echinococcus granulosus ecdysone induced protein 78C 0.003 0.0685 0.2471
Schistosoma mansoni hypothetical protein 0.0016 0.0074 0.0061
Onchocerca volvulus 0.0038 0.1023 0.1097
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.003 0.0685 0.2471
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0557 0.1159
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0016 0.0059 0.0122
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0906 0.1884
Brugia malayi hypothetical protein 0.0125 0.4808 1
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.1023 0.5
Plasmodium vivax hypothetical protein, conserved 0.0038 0.1023 0.5
Onchocerca volvulus Protein ultraspiracle homolog 0.003 0.0685 0.03
Loa Loa (eye worm) hypothetical protein 0.0125 0.4808 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.1023 0.2128
Entamoeba histolytica hypothetical protein 0.0074 0.2592 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.1023 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0038 0.1023 0.5
Loa Loa (eye worm) hypothetical protein 0.0016 0.0059 0.0122
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.003 0.0685 0.2471
Echinococcus multilocularis beta LACTamase domain containing family member 0.0038 0.1023 0.3807
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.003 0.0685 0.2471
Echinococcus granulosus lamin dm0 0.0027 0.0557 0.1967
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.003 0.0685 0.1424
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.003 0.0685 0.1424
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0074 0.0061
Onchocerca volvulus Huntingtin homolog 0.0125 0.4808 1
Schistosoma mansoni lamin 0.0027 0.0557 0.1967
Brugia malayi Nuclear hormone receptor family member nhr-25 0.003 0.0685 0.1424
Loa Loa (eye worm) MH2 domain-containing protein 0.0121 0.4668 0.9711
Mycobacterium ulcerans beta-lactamase 0.0038 0.1023 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.003 0.0685 0.1424
Loa Loa (eye worm) hypothetical protein 0.0038 0.1023 0.2128
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0074 0.0061
Loa Loa (eye worm) hypothetical protein 0.0038 0.1023 0.2128
Echinococcus granulosus lamin 0.0027 0.0557 0.1967
Loa Loa (eye worm) hypothetical protein 0.003 0.0685 0.1424
Schistosoma mansoni thyroid hormone receptor 0.003 0.0685 0.2471
Echinococcus multilocularis musashi 0.0027 0.0557 0.1967
Mycobacterium ulcerans hypothetical protein 0.0038 0.1023 0.5
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0074 0.0154
Loa Loa (eye worm) hypothetical protein 0.0038 0.1023 0.2128
Entamoeba histolytica hypothetical protein 0.0074 0.2592 0.5
Schistosoma mansoni Tr4/Tr2 (homologue) 0.003 0.0685 0.2471
Entamoeba histolytica hypothetical protein 0.0074 0.2592 0.5
Onchocerca volvulus 0.0038 0.1023 0.1097
Echinococcus granulosus beta LACTamase domain containing family member 0.0038 0.1023 0.3807
Loa Loa (eye worm) hypothetical protein 0.003 0.0685 0.1424
Brugia malayi beta-lactamase family protein 0.0038 0.1023 0.2128
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.003 0.0685 0.1424
Loa Loa (eye worm) hypothetical protein 0.0016 0.0059 0.0122
Echinococcus granulosus retinoic acid receptor rxr beta a 0.003 0.0685 0.2471
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.003 0.0685 0.2471
Loa Loa (eye worm) hypothetical protein 0.0016 0.0059 0.0122
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.1023 0.5
Loa Loa (eye worm) hypothetical protein 0.0125 0.4808 1
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.1023 0.5
Loa Loa (eye worm) hypothetical protein 0.003 0.0685 0.1424
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.1622 0.3374
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0074 0.2592 1
Onchocerca volvulus 0.003 0.0685 0.03
Brugia malayi nuclear hormone receptor 0.003 0.0685 0.1424
Brugia malayi beta-lactamase 0.0038 0.1023 0.2128
Echinococcus granulosus FTZ F1 alpha 0.003 0.0685 0.2471
Loa Loa (eye worm) hypothetical protein 0.003 0.0685 0.1424
Brugia malayi MH2 domain containing protein 0.0121 0.4668 0.9711
Brugia malayi Nuclear hormone receptor-like 1 0.0016 0.0059 0.0122
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.003 0.0685 0.1424
Loa Loa (eye worm) hypothetical protein 0.0016 0.0074 0.0154
Schistosoma mansoni hypothetical protein 0.0074 0.2592 1
Brugia malayi hypothetical protein 0.0016 0.0059 0.0122
Echinococcus granulosus intermediate filament protein 0.0027 0.0557 0.1967
Brugia malayi Nuclear hormone receptor family member nhr-14 0.003 0.0685 0.1424
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.1023 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.1622 0.3374
Echinococcus multilocularis thyroid hormone receptor alpha 0.003 0.0685 0.2471
Echinococcus multilocularis lamin dm0 0.0027 0.0557 0.1967
Loa Loa (eye worm) hypothetical protein 0.003 0.0685 0.1424
Schistosoma mansoni steroid hormone receptor ad4bp 0.003 0.0685 0.2471
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.003 0.0685 0.2471

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 5.2 Antagonist activity at glucocorticoid receptor expressed in human A549 cells assessed as inhibition of cortisol-induced renilla luciferase transactivation activity ChEMBL. 20202837

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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