Detailed information for compound 1481464

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 345.39 | Formula: C19H23NO5
  • H donors: 1 H acceptors: 3 LogP: 3.84 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1cn(c(c1O)C(=O)OC(C)(C)C)Cc1ccccc1
  • InChi: 1S/C19H23NO5/c1-5-24-17(22)14-12-20(11-13-9-7-6-8-10-13)15(16(14)21)18(23)25-19(2,3)4/h6-10,12,21H,5,11H2,1-4H3
  • InChiKey: WZTZFCWMMJRYLL-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

Species Target name Source Bibliographic reference
Homo sapiens parathyroid hormone 1 receptor Starlite/ChEMBL No references
Homo sapiens corticotropin releasing hormone receptor 2 No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens corticotropin releasing hormone binding protein No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum IPR001879,Hormone receptor, extracellular,domain-containing Get druggable targets OG5_130760 All targets in OG5_130760
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative Get druggable targets OG5_130760 All targets in OG5_130760
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 Get druggable targets OG5_130760 All targets in OG5_130760
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 Get druggable targets OG5_130760 All targets in OG5_130760
Schistosoma japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130760 All targets in OG5_130760
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c corticotropin releasing hormone receptor 2 438 aa 383 aa 26.1 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0014 0.0009
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0495 0.0661 0.0655
Schistosoma mansoni hypothetical protein 0.0057 0.0061 0.0468
Loa Loa (eye worm) hypothetical protein 0.0017 0.0006 0.0096
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0495 0.0661 0.0655
Trypanosoma brucei beta-ketoacyl-ACP reductase 0.0495 0.0661 0.5
Mycobacterium tuberculosis Probable 3-oxoacyl-[acyl-carrier protein] reductase FabG2 (3-ketoacyl-acyl carrier protein reductase) 0.0495 0.0661 0.0656
Echinococcus granulosus muscleblind protein 0.0147 0.0184 0.2014
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0495 0.0661 0.0655
Mycobacterium ulcerans 3-alpha-hydroxysteroid dehydrogenase 0.0495 0.0661 0.0655
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.7305 1 1
Trypanosoma brucei pteridine reductase 1 0.0495 0.0661 0.5
Loa Loa (eye worm) hypothetical protein 0.0147 0.0184 0.2788
Mycobacterium ulcerans short chain dehydrogenase 0.0495 0.0661 0.0655
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.7305 1 1
Leishmania major pteridine reductase 1 0.0495 0.0661 1
Mycobacterium ulcerans short chain dehydrogenase 0.0495 0.0661 0.0655
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0014 0.0008
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0057 0.0061 0.0893
Echinococcus granulosus 3 oxoacyl acyl carrier protein reductase 0.0495 0.0661 0.7225
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0019 0.0257
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0242 0.0315 0.292
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0495 0.0661 0.0656
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0799 0.1078 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0495 0.0661 1
Echinococcus multilocularis 3 oxoacyl acyl carrier protein reductase 0.0495 0.0661 0.6131
Mycobacterium leprae POSSIBLE OXIDOREDUCTASE 0.0495 0.0661 0.0647
Loa Loa (eye worm) retinol dehydrogenase 12 0.0495 0.0661 1
Mycobacterium ulcerans short chain dehydrogenase 0.0495 0.0661 0.0655
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0019 0.0285
Mycobacterium ulcerans short chain dehydrogenase 0.0495 0.0661 0.0655
Onchocerca volvulus 0.0495 0.0661 1
Mycobacterium ulcerans 3-oxoacyl-ACP reductase 0.0495 0.0661 0.0655
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0014 0.0008
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0495 0.0661 0.0655
Brugia malayi latrophilin 2 splice variant baaae 0.0123 0.0152 0.2273
Trichomonas vaginalis hypothetical protein 0.7305 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0017 0.0006 0.0096
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0495 0.0661 0.0655
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0495 0.0661 0.5
Schistosoma mansoni hypothetical protein 0.0057 0.0061 0.0468
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0495 0.0661 0.0655
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0495 0.0661 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0057 0.0061 0.0664
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0242 0.0315 0.3441
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0495 0.0661 0.0656
Echinococcus multilocularis muscleblind protein 0.0147 0.0184 0.1709
Schistosoma mansoni microtubule-associated protein tau 0.068 0.0915 1
Mycobacterium ulcerans short chain dehydrogenase 0.0495 0.0661 0.0655
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.7305 1 1
Mycobacterium ulcerans short chain dehydrogenase 0.0495 0.0661 0.0655
Loa Loa (eye worm) hypothetical protein 0.0123 0.0152 0.2296
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0495 0.0661 0.0656
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0014 0.0008
Mycobacterium ulcerans short chain dehydrogenase 0.0495 0.0661 0.0655
Loa Loa (eye worm) hypothetical protein 0.0017 0.0006 0.0096
Trypanosoma brucei oxidoreductase-like protein 0.0495 0.0661 0.5
Schistosoma mansoni 3-oxoacyl-[ACP] reductase 0.0495 0.0661 0.7167
Brugia malayi Calcitonin receptor-like protein seb-1 0.0181 0.023 0.3462
Schistosoma mansoni hypothetical protein 0.0057 0.0061 0.0468
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] reductase, putative 0.0495 0.0661 0.0655
Schistosoma mansoni hypothetical protein 0.0057 0.0061 0.0468
Loa Loa (eye worm) hypothetical protein 0.0017 0.0006 0.0096
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0002 0.0029
Echinococcus multilocularis GPCR, family 2 0.0057 0.0061 0.0564
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0014 0.0008
Echinococcus multilocularis muscleblind protein 1 0.0147 0.0184 0.1709
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0495 0.0661 0.5
Echinococcus granulosus lamin dm0 0.0027 0.0019 0.0206
Loa Loa (eye worm) latrophilin receptor protein 2 0.0057 0.0061 0.092
Loa Loa (eye worm) hypothetical protein 0.0147 0.0184 0.2788
Echinococcus granulosus intermediate filament protein 0.0027 0.0019 0.0206
Mycobacterium ulcerans short chain dehydrogenase 0.0495 0.0661 0.0655
Loa Loa (eye worm) hypothetical protein 0.0495 0.0661 1
Echinococcus granulosus microtubule associated protein 2 0.068 0.0915 1
Brugia malayi Latrophilin receptor protein 2 0.0057 0.0061 0.0893
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase 0.0495 0.0661 0.0655
Chlamydia trachomatis oxoacy-ACP reductase 0.0495 0.0661 0.0655
Entamoeba histolytica 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0495 0.0661 1
Mycobacterium ulcerans 20-beta-hydroxysteroid dehydrogenase FabG3 0.0495 0.0661 0.0655
Mycobacterium tuberculosis Probable oxidoreductase 0.0495 0.0661 0.0656
Mycobacterium tuberculosis Possible oxidoreductase 0.0495 0.0661 0.0656
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.7305 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0181 0.023 0.3481
Loa Loa (eye worm) hypothetical protein 0.0017 0.0006 0.0096
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0495 0.0661 0.0655
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0495 0.0661 0.0655
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0495 0.0661 0.0655
Mycobacterium tuberculosis Possible oxidoreductase 0.0495 0.0661 0.0656
Loa Loa (eye worm) hypothetical protein 0.0023 0.0014 0.0219
Plasmodium vivax enoyl-acyl carrier protein reductase 0.7305 1 1
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0495 0.0661 1
Schistosoma mansoni hypothetical protein 0.0123 0.0152 0.1483
Loa Loa (eye worm) hypothetical protein 0.0057 0.0061 0.092
Mycobacterium leprae 3-OXOACYL-[ACYL-CARRIER PROTEIN] REDUCTASE FABG1 (3-KETOACYL-ACYL CARRIER PROTEIN REDUCTASE) (MYCOLIC ACID BIOSYNTHESIS A PROTEI 0.0495 0.0661 0.0647
Mycobacterium tuberculosis Possible 20-beta-hydroxysteroid dehydrogenase FabG3 (cortisone reductase) ((R)-20-hydroxysteroid dehydrogenase) 0.0495 0.0661 0.0656
Onchocerca volvulus 0.0027 0.0019 0.0068
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.7305 1 1
Mycobacterium ulcerans 3-oxoacyl-ACP reductase 0.0495 0.0661 0.0655
Mycobacterium ulcerans short chain dehydrogenase 0.0495 0.0661 0.0655
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0014 0.0009
Mycobacterium ulcerans oxidoreductase 0.0495 0.0661 0.0655
Echinococcus multilocularis microtubule associated protein 2 0.068 0.0915 0.8486
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0495 0.0661 0.0655
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0014 0.019
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0014 0.019
Loa Loa (eye worm) hypothetical protein 0.0026 0.0018 0.0275
Mycobacterium ulcerans short chain dehydrogenase 0.0495 0.0661 0.0655
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0366 0.0484 0.7316
Leishmania major oxidoreductase-like protein 0.0495 0.0661 1
Loa Loa (eye worm) hypothetical protein 0.0366 0.0484 0.7324
Mycobacterium ulcerans hypothetical protein 0.0023 0.0014 0.0008
Leishmania major 3-oxoacyl-ACP reductase, putative 0.0495 0.0661 1
Echinococcus multilocularis lamin 0.0027 0.0019 0.0175
Onchocerca volvulus 0.0027 0.0019 0.0068
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0495 0.0661 1
Mycobacterium tuberculosis Probable dehydrogenase/reductase 0.0495 0.0661 0.0656
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0495 0.0661 0.5
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0014 0.0008
Loa Loa (eye worm) hypothetical protein 0.0023 0.0014 0.0219
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0014 0.0008
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0495 0.0661 1
Echinococcus granulosus GPCR family 2 0.0057 0.0061 0.0664
Schistosoma mansoni dihydropteridine reductase 0.0495 0.0661 0.7167
Brugia malayi Muscleblind-like protein 0.0147 0.0184 0.2766
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0495 0.0661 0.0655
Echinococcus granulosus lamin 0.0027 0.0019 0.0206
Echinococcus multilocularis musashi 0.0027 0.0019 0.0175
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0006 0.0001
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0019 0.0285
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0014 0.019
Mycobacterium ulcerans short chain dehydrogenase 0.0495 0.0661 0.0655
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0057 0.0061 0.0564
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0495 0.0661 0.0655
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0495 0.0661 0.0655
Plasmodium falciparum enoyl-acyl carrier reductase 0.7305 1 1
Brugia malayi intermediate filament protein 0.0027 0.0019 0.0257
Loa Loa (eye worm) hypothetical protein 0.0023 0.0014 0.0219
Loa Loa (eye worm) oxidoreductase 0.0495 0.0661 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0014 0.0008
Mycobacterium ulcerans short chain dehydrogenase 0.0495 0.0661 0.0655
Onchocerca volvulus 0.0495 0.0661 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0019 0.0285
Echinococcus multilocularis lamin dm0 0.0027 0.0019 0.0175

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 5.22 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for small molecule agonists of the CRF-binding protein and CRF-R2 receptor complex. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.9125 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 79.4328 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

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.