Detailed information for compound 1539167

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 466.501 | Formula: C26H27FN2O5
  • H donors: 0 H acceptors: 2 LogP: 4.25 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc2c(c1)C(=O)C1(C3(O2)CCN(CC3)C(=O)OC(C)(C)C)ON=C(C1)c1ccccc1
  • InChi: 1S/C26H27FN2O5/c1-24(2,3)33-23(31)29-13-11-25(12-14-29)26(16-20(28-34-26)17-7-5-4-6-8-17)22(30)19-15-18(27)9-10-21(19)32-25/h4-10,15H,11-14,16H2,1-3H3
  • InChiKey: QMLONRSHUXDIFQ-UHFFFAOYSA-N  

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 polymerase (DNA directed) iota Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No 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
Species Potential target Known druggable target Length Alignment span Identity
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
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.1765 0.466
Loa Loa (eye worm) hypothetical protein 0.0023 0.1769 0.2134
Loa Loa (eye worm) hypothetical protein 0.0041 0.4749 0.5729
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1765 0.128
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0019 0.1053 0.5964
Leishmania major DNA polymerase eta, putative 0.0023 0.1765 0.0796
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.1769 0.0801
Loa Loa (eye worm) cysteine protease 0.0019 0.1053 0.127
Schistosoma mansoni tar DNA-binding protein 0.0062 0.829 1
Plasmodium vivax vivapain-2 0.0019 0.1053 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.1053 0.0001
Loa Loa (eye worm) hypothetical protein 0.0017 0.0783 0.0944
Trypanosoma cruzi cruzipain precursor, putative 0.0073 1 1
Echinococcus granulosus dna polymerase eta 0.0023 0.1765 0.2129
Entamoeba histolytica cysteine proteinase, putative 0.0019 0.1053 0.2779
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.1765 0.9966
Entamoeba histolytica hypothetical protein 0.0035 0.3787 1
Brugia malayi Cathepsin L-like precursor 0.0019 0.1053 0.127
Brugia malayi RNA binding protein 0.0062 0.829 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.829 1
Brugia malayi Papain family cysteine protease containing protein 0.0019 0.1053 0.127
Trypanosoma cruzi cysteine peptidase, putative 0.0073 1 1
Schistosoma mansoni DNA polymerase eta 0.0023 0.1765 0.2129
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1765 0.128
Schistosoma mansoni hypothetical protein 0.0019 0.1053 0.127
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.1053 0.5964
Trypanosoma brucei unspecified product 0.0023 0.1765 0.128
Schistosoma mansoni cathepsin F (C01 family) 0.0019 0.1053 0.127
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.3787 0.4569
Loa Loa (eye worm) fibroinase 0.0019 0.1053 0.127
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.1053 0.5964
Trypanosoma cruzi cysteine peptidase, putative 0.0073 1 1
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.1765 0.128
Loa Loa (eye worm) hypothetical protein 0.0023 0.1765 0.2129
Leishmania major cathepsin L-like protease 0.0073 1 1
Brugia malayi Latrophilin receptor protein 2 0.0019 0.1053 0.127
Echinococcus granulosus cathepsin l1 0.0019 0.1053 0.127
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.1769 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.1769 0.0801
Echinococcus granulosus dna polymerase kappa 0.0023 0.1765 0.2129
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 1 1
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.829 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.1765 0.0796
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.1769 0.0801
Echinococcus granulosus GPCR family 2 0.0019 0.1053 0.127
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0019 0.1053 0.5964
Mycobacterium ulcerans hypothetical protein 0.0023 0.1769 1
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.1765 0.9961
Loa Loa (eye worm) hypothetical protein 0.0017 0.0783 0.0944
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.1765 0.128
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.1053 0.127
Entamoeba histolytica hypothetical protein 0.0035 0.3787 1
Plasmodium falciparum cysteine proteinase falcipain 3 0.0019 0.1053 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.7934 0.957
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1765 0.128
Brugia malayi Cathepsin L-like precursor 0.0019 0.1053 0.127
Brugia malayi AMP-binding enzyme family protein 0.0023 0.1769 0.2134
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.1053 0.5964
Trypanosoma cruzi DNA polymerase eta, putative 0.0023 0.1765 0.0796
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.1765 0.2129
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.1769 0.5
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0019 0.1053 0.5964
Onchocerca volvulus 0.0019 0.1053 0.5951
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.1765 0.0796
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.1769 0.4671
Schistosoma mansoni hypothetical protein 0.0019 0.1053 0.127
Onchocerca volvulus 0.0019 0.1053 0.5951
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0019 0.1053 0.5964
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.1053 0.5964
Schistosoma mansoni hypothetical protein 0.0019 0.1053 0.127
Schistosoma mansoni tar DNA-binding protein 0.0062 0.829 1
Echinococcus granulosus cathepsin L cysteine proteinase 0.0019 0.1053 0.127
Onchocerca volvulus Cathepsin L homolog 0.0019 0.1053 0.5951
Schistosoma mansoni hypothetical protein 0.0019 0.1053 0.127
Leishmania major cathepsin L-like protease 0.0073 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1765 0.128
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.1765 0.2129
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.1765 0.0796
Entamoeba histolytica hypothetical protein 0.0035 0.3787 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 1 1
Entamoeba histolytica hypothetical protein 0.0035 0.3787 1
Giardia lamblia DINP protein human, muc B family 0.0023 0.1765 0.5
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.1769 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.1769 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1765 0.128
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.1765 1
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.3787 0.4569
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.1765 0.128
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.1769 1
Brugia malayi AMP-binding enzyme family protein 0.0023 0.1769 0.2134
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1765 0.128
Trypanosoma cruzi cysteine peptidase, putative 0.0073 1 1
Onchocerca volvulus 0.0019 0.1053 0.5951
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.1053 0.5964
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.1765 0.2129
Entamoeba histolytica cysteine protease, putative 0.0019 0.1053 0.2779
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0019 0.1053 0.5964
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.1769 0.4671
Plasmodium vivax vivapain-2 0.0019 0.1053 1
Brugia malayi hypothetical protein 0.0035 0.3787 0.4569
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0019 0.1053 0.5964
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0019 0.1053 0.5964
Toxoplasma gondii cathepsin CPL 0.0019 0.1053 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0019 0.1053 0.5964
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.1053 0.127
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.1765 0.0796
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.1765 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1765 0.128
Loa Loa (eye worm) hypothetical protein 0.0023 0.1769 0.2134
Echinococcus multilocularis GPCR, family 2 0.0019 0.1053 0.0001
Schistosoma mansoni cathepsin F (C01 family) 0.0019 0.1053 0.127
Onchocerca volvulus 0.0019 0.1053 0.5951
Loa Loa (eye worm) hypothetical protein 0.0019 0.1053 0.127
Onchocerca volvulus 0.0019 0.1053 0.5951
Schistosoma mansoni tar DNA-binding protein 0.0062 0.829 1
Echinococcus multilocularis dna polymerase eta 0.0023 0.1765 0.0984
Loa Loa (eye worm) hypothetical protein 0.0017 0.0783 0.0944
Brugia malayi Cathepsin L-like precursor 0.0019 0.1053 0.127
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.7934 0.957
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.1053 0.5964
Schistosoma mansoni hypothetical protein 0.0035 0.3787 0.4569
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 1 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0066 0.8947 0.8824
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 1 1
Trypanosoma cruzi major cysteine proteinase, putative 0.0057 0.7404 0.7098
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.1769 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.1053 0.5964
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.1053 0.5964
Brugia malayi Cathepsin L-like precursor 0.0019 0.1053 0.127
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.1053 0.127
Loa Loa (eye worm) hypothetical protein 0.006 0.7934 0.957
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1765 0.128
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.1765 0.2129
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1765 0.128
Brugia malayi Cathepsin L-like precursor 0.0019 0.1053 0.127
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.1053 0.5964
Echinococcus granulosus cathepsin l cysteine peptidase 0.0019 0.1053 0.127
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 1 1
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.1765 0.9961
Loa Loa (eye worm) hypothetical protein 0.0017 0.0783 0.0944
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.1765 0.0984
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0019 0.1053 0.5964
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.1053 0.0001
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 1 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.1769 1
Leishmania major DNA polymerase kappa, putative 0.0023 0.1765 0.0796
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0017 0.0783 0.5
Loa Loa (eye worm) RNA binding protein 0.0062 0.829 1
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0019 0.1053 1
Echinococcus granulosus tar DNA binding protein 0.0062 0.829 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 1 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.829 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.1769 0.4671
Loa Loa (eye worm) hypothetical protein 0.0017 0.0783 0.0944
Brugia malayi Cathepsin L-like precursor 0.0019 0.1053 0.127
Brugia malayi AMP-binding enzyme family protein 0.0023 0.1769 0.2134
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 1 1
Onchocerca volvulus Cathepsin F homolog 0.0019 0.1053 0.5951
Onchocerca volvulus 0.0023 0.1769 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.4749 0.5729
Echinococcus multilocularis tar DNA binding protein 0.0062 0.829 1
Onchocerca volvulus 0.0019 0.1053 0.5951
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.1053 0.5964
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.1053 0.5964
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.3787 0.3779
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.1769 0.5
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.1765 0.2129
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0019 0.1053 0.127
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.1053 0.5964
Schistosoma mansoni hypothetical protein 0.0041 0.4749 0.5729
Loa Loa (eye worm) TAR-binding protein 0.0062 0.829 1
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0019 0.1053 1
Onchocerca volvulus 0.0019 0.1053 0.5951
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.1765 0.9966
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0019 0.1053 0.127
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.1053 0.5964
Brugia malayi TAR-binding protein 0.0062 0.829 1
Loa Loa (eye worm) ctsf protein 0.0019 0.1053 0.127
Onchocerca volvulus Cathepsin L homolog 0.0019 0.1053 0.5951
Loa Loa (eye worm) hypothetical protein 0.0019 0.1053 0.127
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.1769 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.1769 0.2134
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.1769 1
Echinococcus multilocularis dna polymerase kappa 0.0023 0.1765 0.0984
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.1053 0.127
Entamoeba histolytica cysteine proteinase, putative 0.0019 0.1053 0.2779
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.1765 0.2129
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0783 0.139
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0.1765 0.128
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.1053 0.5964
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.7934 0.957
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.1765 0.0796
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.1769 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.829 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0019 0.1053 0.5964
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0019 0.1053 0.5964
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1765 0.128

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 17.7828 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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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