Detailed information for compound 1447589

Basic information

Technical information
  • TDR Targets ID: 1447589
  • Name: 3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1]benzoxolo [2,3-e]pyrimidin-4-one
  • MW: 297.309 | Formula: C16H15N3O3
  • H donors: 0 H acceptors: 2 LogP: 1.64 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1CCCC1)Cn1cnc2c(c1=O)oc1c2cccc1
  • InChi: 1S/C16H15N3O3/c20-13(18-7-3-4-8-18)9-19-10-17-14-11-5-1-2-6-12(11)22-15(14)16(19)21/h1-2,5-6,10H,3-4,7-9H2
  • InChiKey: ZDDYOGNGBFJYDG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-(2-oxo-2-pyrrolidin-1-yl-ethyl)benzofurano[2,3-e]pyrimidin-4-one
  • 3-(2-oxo-2-1-pyrrolidinylethyl)-4-benzofurano[2,3-e]pyrimidinone
  • 3-(2-keto-2-pyrrolidin-1-yl-ethyl)benzofurano[2,3-e]pyrimidin-4-one
  • 3-(2-oxo-2-pyrrolidin-1-yl-ethyl)-[1]benzoxolo[2,3-e]pyrimidin-4-one
  • 3-(2-oxo-2-pyrrolidin-1-ylethyl)[1]benzofuro[3,2-d]pyrimidin-4(3H)-one
  • MLS000621166
  • SMR000310333

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
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
Mycobacterium ulcerans monoamine oxidase 0.0083 0.0206 0.0165
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.11 0.9258 1
Echinococcus granulosus serine:threonine protein kinase haspin 0.0497 0.3892 0.5517
Toxoplasma gondii hypothetical protein 0.0121 0.054 0.1232
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.6886 0.8371
Echinococcus granulosus serine:threonine protein kinase haspin 0.0497 0.3892 0.5517
Chlamydia trachomatis protoporphyrinogen oxidase 0.0083 0.0206 0.5
Loa Loa (eye worm) cuticular endochitinase 0.0076 0.0142 0.036
Schistosoma mansoni serine/threonine protein kinase 0.009 0.0263 0.0086
Brugia malayi hypothetical protein 0.0497 0.3892 1
Echinococcus granulosus Hepatocellular carcinoma associated antigen 59 0.0121 0.054 0.05
Plasmodium vivax serine/threonine protein kinase KIN, putative 0.009 0.0263 0.1727
Echinococcus multilocularis dual specificity 0.0388 0.2916 0.3396
Loa Loa (eye worm) hypothetical protein 0.0131 0.063 0.1606
Echinococcus granulosus microtubule associated protein 2 0.0833 0.6886 1
Leishmania major mitogen-activated protein kinase, putative,map kinase-like protein 0.009 0.0263 0.044
Trypanosoma cruzi serine/threonine protein kinase, putative 0.009 0.0263 0.0213
Echinococcus granulosus dual specificity 0.0388 0.2916 0.4057
Trypanosoma brucei dual specificity tyrosine-phosphorylation-regulated kinase 2, putative 0.0388 0.2916 1
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.8186 1
Brugia malayi Carboxylesterase family protein 0.0131 0.063 0.162
Brugia malayi Hepatocellular carcinoma-associated antigen 59 family protein 0.0121 0.054 0.1387
Echinococcus multilocularis Cell division cycle 2 protein kinase 0.009 0.0263 0.0072
Trichomonas vaginalis CMGC family protein kinase 0.0388 0.2916 1
Brugia malayi endochitinase 0.0076 0.0142 0.0364
Echinococcus multilocularis cyclin dependent kinase 9 0.009 0.0263 0.0072
Loa Loa (eye worm) hypothetical protein 0.0131 0.063 0.1606
Entamoeba histolytica protein kinase domain containing protein 0.0388 0.2916 1
Echinococcus multilocularis serine:threonine protein kinase NLK 0.009 0.0263 0.0072
Trichomonas vaginalis CMGC family protein kinase 0.0388 0.2916 1
Loa Loa (eye worm) hypothetical protein 0.0065 0.0042 0.0106
Brugia malayi GSG2 0.0497 0.3892 1
Giardia lamblia Kinase, CMGC DYRK 0.0388 0.2916 1
Entamoeba histolytica cell division protein kinase 2, putative 0.009 0.0263 0.044
Loa Loa (eye worm) acetylcholinesterase 1 0.0131 0.063 0.1606
Trichomonas vaginalis CMGC family protein kinase 0.0388 0.2916 1
Loa Loa (eye worm) hypothetical protein 0.0083 0.0206 0.0524
Leishmania major UDP-galactopyranose mutase 0.0083 0.0206 0.0232
Brugia malayi SWIRM domain containing protein 0.0083 0.0206 0.0529
Loa Loa (eye worm) chitinase I 0.0076 0.0142 0.036
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.6886 1
Onchocerca volvulus 0.0121 0.054 1
Echinococcus multilocularis dual specificity 0.0104 0.0392 0.0233
Plasmodium vivax hypothetical protein, conserved 0.0121 0.054 1
Loa Loa (eye worm) hypothetical protein 0.0083 0.0206 0.0524
Entamoeba histolytica hypothetical protein 0.0104 0.0392 0.0902
Brugia malayi Carboxylesterase family protein 0.0131 0.063 0.162
Entamoeba histolytica protein kinase domain containing protein 0.0104 0.0392 0.0902
Entamoeba histolytica protein kinase, putative 0.0388 0.2916 1
Toxoplasma gondii cell-cycle-associated protein kinase DYRK2, putative 0.0388 0.2916 1
Loa Loa (eye worm) carboxylesterase 0.0131 0.063 0.1606
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0104 0.0392 0.0998
Entamoeba histolytica protein kinase, putative 0.0104 0.0392 0.0902
Trypanosoma cruzi dual specificity tyrosine-phosphorylation-regulated kinase 2, putative 0.0388 0.2916 1
Echinococcus granulosus dual specificity 0.0388 0.2916 0.4057
Trichomonas vaginalis CMGC family protein kinase 0.0388 0.2916 1
Echinococcus multilocularis carboxylesterase 5A 0.0131 0.063 0.0532
Loa Loa (eye worm) hypothetical protein 0.0121 0.054 0.1375
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.1183 1 1
Mycobacterium tuberculosis Possible oxidoreductase 0.0083 0.0206 0.0178
Trichomonas vaginalis CMGC family protein kinase 0.0388 0.2916 1
Loa Loa (eye worm) CMGC/CDK/CRK7 protein kinase 0.009 0.0263 0.0671
Mycobacterium tuberculosis Conserved hypothetical protein 0.0083 0.0206 0.0178
Echinococcus granulosus mitogen activated protein kinase 15 0.009 0.0263 0.0086
Echinococcus granulosus dual specificity 0.0104 0.0392 0.0278
Echinococcus granulosus carboxylesterase 5A 0.0131 0.063 0.0636
Mycobacterium ulcerans dehydrogenase 0.0083 0.0206 0.0165
Entamoeba histolytica protein kinase, putative 0.0104 0.0392 0.0902
Loa Loa (eye worm) hypothetical protein 0.01 0.0357 0.091
Loa Loa (eye worm) hypothetical protein 0.0083 0.0206 0.0524
Leishmania major protein kinase, putative,dual-specificity protein kinase, putative 0.0388 0.2916 1
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.009 0.0263 0.0671
Brugia malayi hypothetical protein 0.0083 0.0206 0.0529
Schistosoma mansoni serine/threonine protein kinase 0.0104 0.0392 0.0278
Echinococcus multilocularis Hepatocellular carcinoma associated antigen 59 0.0121 0.054 0.0418
Brugia malayi endochitinase 0.0085 0.0223 0.0574
Trichomonas vaginalis CMGC family protein kinase 0.0388 0.2916 1
Loa Loa (eye worm) microfilarial chitinase 0.0074 0.0123 0.0314
Echinococcus granulosus serine:threonine protein kinase haspin 0.0497 0.3892 0.5517
Echinococcus granulosus acetylcholinesterase 0.0131 0.063 0.0636
Onchocerca volvulus 0.0083 0.0206 0.1615
Brugia malayi Dual-specificity tyrosine-phosphorylation regulated kinase 2 0.0388 0.2916 0.7494
Plasmodium vivax cyclin dependent kinase 7 (cdk7), putative 0.009 0.0263 0.1727
Echinococcus granulosus Pfam-B_8186 domain containing protein 0.0086 0.0229 0.0035
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0104 0.0392 0.0483
Brugia malayi Protein kinase domain containing protein 0.0104 0.0392 0.1007
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0083 0.0206 0.0165
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0104 0.0392 0.0686
Echinococcus granulosus acetylcholinesterase 0.0131 0.063 0.0636
Brugia malayi Protein kinase domain containing protein 0.009 0.0263 0.0677
Echinococcus multilocularis hypothetical protein 0.0086 0.0229 0.0029
Schistosoma mansoni serine/threonine kinase 0.009 0.0263 0.0086
Echinococcus multilocularis acetylcholinesterase 0.0131 0.063 0.0532
Entamoeba histolytica protein kinase domain containing protein 0.009 0.0263 0.044
Echinococcus multilocularis serine:threonine protein kinase haspin 0.0497 0.3892 0.4619
Loa Loa (eye worm) haspin protein kinase 0.0501 0.3926 1
Echinococcus granulosus serine:threonine protein kinase NLK 0.009 0.0263 0.0086
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0131 0.063 0.0636
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0104 0.0392 0.0686
Plasmodium falciparum conserved protein, unknown function 0.0121 0.054 1
Brugia malayi Cell division protein kinase 2 0.009 0.0263 0.0677
Echinococcus multilocularis dual specificity 0.0388 0.2916 0.3396
Entamoeba histolytica hypothetical protein 0.0086 0.0229 0.0315
Onchocerca volvulus Putative endochitinase 0.0085 0.0223 0.2052
Trypanosoma cruzi Mitogen-activated protein kinase 10, putative 0.009 0.0263 0.0213
Echinococcus granulosus cyclin dependent kinase 9 0.009 0.0263 0.0086
Echinococcus multilocularis acetylcholinesterase 0.0131 0.063 0.0532
Loa Loa (eye worm) hypothetical protein 0.0083 0.0206 0.0524
Loa Loa (eye worm) haspin protein kinase 0.0497 0.3892 0.9912
Schistosoma mansoni hypothetical protein 0.0086 0.0229 0.0035
Schistosoma mansoni hypothetical protein 0.0497 0.3892 0.5517
Mycobacterium ulcerans oxidoreductase 0.0083 0.0206 0.0165
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0083 0.0206 0.5
Brugia malayi amine oxidase, flavin-containing family protein 0.0083 0.0206 0.0529
Trypanosoma cruzi Mitogen-activated protein kinase 10, putative 0.009 0.0263 0.0213
Onchocerca volvulus 0.0121 0.054 1
Loa Loa (eye worm) hypothetical protein 0.01 0.0357 0.091
Echinococcus granulosus dual specificity 0.0388 0.2916 0.4057
Onchocerca volvulus Putative endochitinase 0.0085 0.0223 0.2052
Echinococcus multilocularis dual specificity 0.0388 0.2916 0.3396
Loa Loa (eye worm) hypothetical protein 0.0083 0.0206 0.0524
Onchocerca volvulus Putative endochitinase 0.0085 0.0223 0.2052
Loa Loa (eye worm) hypothetical protein 0.0121 0.054 0.1375
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0104 0.0392 0.0902
Schistosoma mansoni serine/threonine protein kinase 0.0388 0.2916 0.4057
Schistosoma mansoni protein kinase 0.009 0.0263 0.0086
Loa Loa (eye worm) haspin protein kinase 0.0497 0.3892 0.9912
Loa Loa (eye worm) hypothetical protein 0.0083 0.0206 0.0524
Leishmania major serine/threonine kinase-like protein, putative 0.009 0.0263 0.044
Brugia malayi Endochitinase 0.0085 0.0223 0.0574
Loa Loa (eye worm) CMGC/DYRK/DYRK2 protein kinase 0.0388 0.2916 0.7428
Schistosoma mansoni hypothetical protein 0.0121 0.054 0.05
Brugia malayi cyclin-dependent kinase 7 homolog 0.009 0.0263 0.0677
Echinococcus granulosus Cell division cycle 2 protein kinase 0.009 0.0263 0.0086
Echinococcus multilocularis serine:threonine protein kinase haspin 0.0497 0.3892 0.4619
Plasmodium falciparum MO15-related protein kinase 0.009 0.0263 0.1727

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 3.9811 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 18.3489 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.9341 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 89.1251 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
Plasmodium falciparum 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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