Detailed information for compound 1270533

Basic information

Technical information
  • TDR Targets ID: 1270533
  • Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl )phenyl]oxolane-2-carboxamide
  • MW: 386.465 | Formula: C20H22N2O4S
  • H donors: 1 H acceptors: 3 LogP: 2.18 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1CCCO1)Nc1ccc(cc1)S(=O)(=O)N1CCc2c(C1)cccc2
  • InChi: 1S/C20H22N2O4S/c23-20(19-6-3-13-26-19)21-17-7-9-18(10-8-17)27(24,25)22-12-11-15-4-1-2-5-16(15)14-22/h1-2,4-5,7-10,19H,3,6,11-14H2,(H,21,23)
  • InChiKey: PTUYNCICYHCMET-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]tetrahydrofuran-2-carboxamide
  • N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-2-tetrahydrofurancarboxamide
  • IVK/4004946
  • MLS000051687
  • N-[4-(3,4-dihydro-2(1H)-isoquinolinylsulfonyl)phenyl]tetrahydro-2-furancarboxamide
  • SMR000080408

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens calcium channel, voltage-dependent, T type, alpha 1H subunit Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog Get druggable targets OG5_129328 All targets in OG5_129328
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129328 All targets in OG5_129328
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_129328 All targets in OG5_129328
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
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
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.1215 0.1144
Brugia malayi hypothetical protein 0.0286 0.1215 0.3262
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0075 0.008 0.5
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0075 0.008 0.0214
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0751 0.3725 1
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.018 0.0647 0.1556
Trichomonas vaginalis PIKK family atypical protein kinase 0.039 0.1777 0.8033
Trichomonas vaginalis PIKK family atypical protein kinase 0.039 0.1777 0.8033
Loa Loa (eye worm) hypothetical protein 0.0245 0.0996 0.4543
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.039 0.1777 0.8033
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0075 0.008 0.0214
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.039 0.1777 0.1711
Trichomonas vaginalis PIKK family atypical protein kinase 0.022 0.0861 0.3696
Trichomonas vaginalis PIKK family atypical protein kinase 0.039 0.1777 0.8033
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.039 0.1777 0.4656
Loa Loa (eye worm) hypothetical protein 0.0075 0.008 0.0364
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0751 0.3725 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0075 0.008 0.0364
Trichomonas vaginalis PIKK family atypical protein kinase 0.039 0.1777 0.8033
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.039 0.1777 1
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.039 0.1777 0.8033
Loa Loa (eye worm) phosphatidylinositol 3 0.0075 0.008 0.0364
Mycobacterium tuberculosis Conserved hypothetical protein 0.0075 0.008 0.5
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0075 0.008 0.5
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.039 0.1777 0.477
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0751 0.3725 0.3675
Loa Loa (eye worm) hypothetical protein 0.0286 0.1215 0.5542
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0075 0.008 0.0214
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0751 0.3725 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.039 0.1777 0.8033
Trichomonas vaginalis PIKK family atypical protein kinase 0.0325 0.1428 0.638
Loa Loa (eye worm) hypothetical protein 0.0214 0.083 0.3787
Trichomonas vaginalis PIKK family atypical protein kinase 0.039 0.1777 0.8033
Loa Loa (eye worm) hypothetical protein 0.017 0.0592 0.2699
Toxoplasma gondii FATC domain-containing protein 0.0325 0.1428 0.7942
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0075 0.008 0.5
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.039 0.1777 0.8033
Loa Loa (eye worm) hypothetical protein 0.025 0.1023 0.4668
Trichomonas vaginalis PIKK family atypical protein kinase 0.039 0.1777 0.8033
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0751 0.3725 0.3675
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0325 0.1428 0.638
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0245 0.0996 0.4337
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.039 0.1777 0.4656
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.039 0.1777 0.4826
Mycobacterium leprae conserved hypothetical protein 0.0075 0.008 0.5
Leishmania major phosphatidylinositol 3-kinase, putative 0.039 0.1777 0.4826
Trichomonas vaginalis PIKK family atypical protein kinase 0.022 0.0861 0.3696
Loa Loa (eye worm) phosphatidylinositol 3 0.0075 0.008 0.0364
Onchocerca volvulus 0.0075 0.008 0.5
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0325 0.1428 0.3698
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.1915 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.039 0.1777 0.8033
Trypanosoma brucei target of rapamycin kinase 3, putative 0.039 0.1777 0.8033
Trypanosoma cruzi target of rapamycin kinase 3 0.039 0.1777 0.4656
Toxoplasma gondii target of rapamycin (TOR), putative 0.039 0.1777 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.039 0.1777 0.8033
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0075 0.008 0.0214
Plasmodium vivax hypothetical protein 0.0075 0.008 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0245 0.0996 0.4337
Trichomonas vaginalis PIKK family atypical protein kinase 0.039 0.1777 0.8033
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0075 0.008 0.0214
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0075 0.008 0.5
Brugia malayi FAT domain containing protein 0.017 0.0592 0.1588
Trichomonas vaginalis PIKK family atypical protein kinase 0.039 0.1777 0.8033
Schistosoma mansoni fkbp-rapamycin associated protein 0.022 0.0861 0.2142
Trichomonas vaginalis PIKK family atypical protein kinase 0.039 0.1777 0.8033
Trichomonas vaginalis PIKK family atypical protein kinase 0.022 0.0861 0.3696
Loa Loa (eye worm) hypothetical protein 0.0077 0.0091 0.0415
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.039 0.1777 0.4656
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0245 0.0996 0.5399
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.039 0.1777 1
Plasmodium vivax hypothetical protein, conserved 0.0075 0.008 0.5
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.022 0.0861 0.231
Trichomonas vaginalis conserved hypothetical protein 0.0145 0.0456 0.1782
Trichomonas vaginalis PIKK family atypical protein kinase 0.039 0.1777 0.8033
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.017 0.0592 0.0516
Trichomonas vaginalis PIKK family atypical protein kinase 0.022 0.0861 0.3696
Trichomonas vaginalis PIKK family atypical protein kinase 0.039 0.1777 0.8033
Onchocerca volvulus 0.0075 0.008 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.039 0.1777 0.8033
Trichomonas vaginalis PIKK family atypical protein kinase 0.039 0.1777 0.8033
Echinococcus granulosus serine:threonine protein kinase SMG1 0.022 0.0861 0.0787
Trichomonas vaginalis PIKK family atypical protein kinase 0.039 0.1777 0.8033
Trichomonas vaginalis PIKK family atypical protein kinase 0.022 0.0861 0.3696
Trichomonas vaginalis PIKK family atypical protein kinase 0.039 0.1777 0.8033
Trichomonas vaginalis PIKK family atypical protein kinase 0.039 0.1777 0.8033
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.022 0.0861 0.0787
Entamoeba histolytica hypothetical protein 0.0325 0.1428 0.7942
Trypanosoma cruzi hypothetical protein, conserved 0.0652 0.3192 0.8538
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0297 0.1276 0.705
Trichomonas vaginalis PIKK family atypical protein kinase 0.0145 0.0456 0.1782
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0075 0.008 0.5
Loa Loa (eye worm) hypothetical protein 0.0075 0.008 0.0364
Loa Loa (eye worm) phosphatidylinositol 3 0.0467 0.2193 1
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0467 0.2193 0.6008
Brugia malayi Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog 0.0214 0.083 0.2229
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.1215 0.1144
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.017 0.0592 0.0516
Loa Loa (eye worm) hypothetical protein 0.0077 0.0091 0.0415
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0325 0.1428 0.3833
Trichomonas vaginalis PIKK family atypical protein kinase 0.0467 0.2193 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.039 0.1777 0.8033
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.039 0.1777 0.1711
Trichomonas vaginalis PIKK family atypical protein kinase 0.039 0.1777 0.8033
Trichomonas vaginalis PIKK family atypical protein kinase 0.039 0.1777 0.8033
Loa Loa (eye worm) phosphatidylinositol 3 0.039 0.1777 0.8104
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.022 0.0861 0.2142
Trichomonas vaginalis PIKK family atypical protein kinase 0.039 0.1777 0.8033
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.039 0.1777 0.4826
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0075 0.008 0.0214
Trichomonas vaginalis PIKK family atypical protein kinase 0.039 0.1777 0.8033
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0075 0.008 0.0364
Trichomonas vaginalis conserved hypothetical protein 0.0208 0.0799 0.3403
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0075 0.008 0.5
Echinococcus multilocularis serine protein kinase ATM 0.0325 0.1428 0.1359
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0467 0.2193 1
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.039 0.1777 0.4826
Loa Loa (eye worm) phosphatidylinositol 3 0.0075 0.008 0.0364
Echinococcus granulosus serine protein kinase ATM 0.0325 0.1428 0.1359
Trichomonas vaginalis PIKK family atypical protein kinase 0.0297 0.1276 0.5663
Loa Loa (eye worm) hypothetical protein 0.022 0.0861 0.3925
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0075 0.008 0.0214
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0751 0.3725 1
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0325 0.1428 0.3698
Entamoeba histolytica protein kinase rad3, putative 0.022 0.0861 0.4601
Trichomonas vaginalis PIKK family atypical protein kinase 0.039 0.1777 0.8033
Trichomonas vaginalis PIKK family atypical protein kinase 0.0245 0.0996 0.4337
Leishmania major hypothetical protein, conserved 0.0727 0.3597 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.039 0.1777 0.8033
Trichomonas vaginalis PIKK family atypical protein kinase 0.039 0.1777 0.8033
Giardia lamblia GTOR 0.039 0.1777 1
Leishmania major phosphatidylinositol kinase related protein, putative 0.018 0.0647 0.1613
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.025 0.1023 0.2589
Loa Loa (eye worm) phosphatidylinositol kinase 0.0075 0.008 0.0364
Schistosoma mansoni hypothetical protein 0.017 0.0592 0.1404
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0075 0.008 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.022 0.0861 0.3696
Trichomonas vaginalis PIKK family atypical protein kinase 0.039 0.1777 0.8033
Loa Loa (eye worm) phosphatidylinositol 3 0.0075 0.008 0.0364
Trichomonas vaginalis conserved hypothetical protein 0.017 0.0592 0.2423

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) 3.27 uM PUBCHEM_BIOASSAY: Inhibitors of T-Type Calcium Channel. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID449739, AID463087, AID493021, AID493022, AID493023, AID493041, AID504579, AID504584, AID504619, AID504628] ChEMBL. No reference
Potency (functional) = 7.0795 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.7157 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) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 112.2018 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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