Detailed information for compound 1320425

Basic information

Technical information
  • TDR Targets ID: 1320425
  • Name: N-[1-(oxolan-2-yl)ethyl]-2-phenylquinoline-4- carboxamide
  • MW: 346.422 | Formula: C22H22N2O2
  • H donors: 1 H acceptors: 2 LogP: 3.97 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(C1CCCO1)NC(=O)c1cc(nc2c1cccc2)c1ccccc1
  • InChi: 1S/C22H22N2O2/c1-15(21-12-7-13-26-21)23-22(25)18-14-20(16-8-3-2-4-9-16)24-19-11-6-5-10-17(18)19/h2-6,8-11,14-15,21H,7,12-13H2,1H3,(H,23,25)
  • InChiKey: QKVDQSBBZZFHKS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-phenyl-N-(1-tetrahydrofuran-2-ylethyl)quinoline-4-carboxamide
  • 2-phenyl-N-[1-(2-tetrahydrofuranyl)ethyl]-4-quinolinecarboxamide
  • 2-phenyl-N-[1-(tetrahydrofuryl)ethyl]cinchoninamide
  • N-[1-(oxolan-2-yl)ethyl]-2-phenyl-quinoline-4-carboxamide
  • IVK/9368816
  • 2-phenyl-N-[1-(tetrahydro-2-furanyl)ethyl]-4-quinolinecarboxamide
  • MLS000672525
  • SMR000295387

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I 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
Loa Loa (eye worm) hypothetical 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
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
Echinococcus granulosus lamin 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
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi 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 mansoni lamin 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus 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 granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin 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
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
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
Trypanosoma cruzi acetyl-CoA carboxylase, putative 0.0176 0.1284 0.172
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0187 0.0193
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0171 0.0176
Brugia malayi Dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, mitochondrial precursor, puta 0.0045 0.0271 0.0281
Schistosoma mansoni aspartate carbamoyltransferase 0.0112 0.0786 0.0626
Schistosoma mansoni cpg binding protein 0.0035 0.0187 0.0017
Schistosoma mansoni pyruvate carboxylase 0.0494 0.3758 0.365
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.3756 0.3756
Treponema pallidum pyruvate carboxylase subunit B 0.0045 0.0271 0.5
Loa Loa (eye worm) hypothetical protein 0.0045 0.0271 0.028
Mycobacterium tuberculosis Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie 0.0494 0.3758 1
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.0494 0.3758 0.5922
Mycobacterium tuberculosis Probable propionyl-CoA carboxylase beta chain 5 AccD5 (pccase) (propanoyl-CoA:carbon dioxide ligase) 0.0176 0.1284 0.2905
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.0494 0.3758 0.3584
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2 0.0494 0.3758 1
Echinococcus multilocularis lamin 0.0033 0.0171 0.017
Brugia malayi Carboxyl transferase domain containing protein 0.1252 0.9647 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.0428 0.0162
Echinococcus granulosus dnaJ subfamily B 0.0494 0.3756 0.3756
Trypanosoma cruzi acetyl-CoA carboxylase 0.0803 0.616 1
Toxoplasma gondii pyruvate carboxylase 0.0494 0.3758 0.3584
Echinococcus multilocularis acetyl coenzyme A carboxylase 1 0.1297 1 1
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4_2 0.0176 0.1284 0.2905
Echinococcus multilocularis Biotin lipoyl attachment 0.0045 0.0271 0.027
Toxoplasma gondii carbamoylphosphate synthetase 0.0112 0.0786 0.0529
Echinococcus granulosus Biotin lipoyl attachment 0.0045 0.0271 0.027
Toxoplasma gondii acetyl-coA carboxylase ACC2 0.1297 1 1
Wolbachia endosymbiont of Brugia malayi Acetyl-CoA carboxylase, carboxyltransferase component 0.0176 0.1284 0.2905
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4 0.0176 0.1284 0.2905
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0176 0.1284 0.172
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.0494 0.3758 0.365
Schistosoma mansoni dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase 0.0045 0.0271 0.0102
Echinococcus granulosus propionyl coenzyme A carboxylase beta chain 0.0176 0.1284 0.1283
Brugia malayi intermediate filament protein 0.0033 0.0171 0.0177
Wolbachia endosymbiont of Brugia malayi Acetyl/propionyl-CoA carboxylase, alpha subunit 0.0494 0.3758 1
Mycobacterium ulcerans pyruvate carboxylase 0.0494 0.3758 1
Entamoeba histolytica acetyl-coA carboxylase, putative 0.0221 0.1637 0.5
Mycobacterium leprae ACETYL/PROPIONYL-CoA CARBOXYLASE (BETA SUBUNIT) ACCD6 0.0176 0.1284 0.2905
Schistosoma mansoni cpg binding protein 0.0037 0.0203 0.0032
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0112 0.0786 0.0626
Echinococcus multilocularis musashi 0.0033 0.0171 0.017
Toxoplasma gondii acyl-CoA carboxyltransferase beta chain, putative 0.0176 0.1284 0.1041
Wolbachia endosymbiont of Brugia malayi carbamoyl phosphate synthase large subunit 0.0112 0.0786 0.1476
Mycobacterium ulcerans carbamoyl phosphate synthase large subunit 0.0112 0.0786 0.1476
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0489 0.0324
Plasmodium vivax biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.0939 0.7214 1
Schistosoma mansoni acetyl-CoA carboxylase 0.1297 1 1
Trypanosoma brucei acetyl-CoA carboxylase 0.1297 1 1
Trypanosoma brucei unspecified product 0.0325 0.2442 0.2232
Echinococcus multilocularis propionyl coenzyme A carboxylase alpha chain 0.0494 0.3758 0.3757
Schistosoma mansoni propionyl-CoA carboxylase beta chain mitochondrial precursor 0.0176 0.1284 0.1133
Schistosoma mansoni hypothetical protein 0.0494 0.3756 0.3648
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1 0.0494 0.3758 1
Echinococcus multilocularis lamin dm0 0.0033 0.0171 0.017
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.0494 0.3758 0.3584
Loa Loa (eye worm) hypothetical protein 0.0045 0.0271 0.028
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.0494 0.3758 0.5922
Mycobacterium ulcerans acetyl-coenzyme a carboxylase carboxyl transferase (subunit beta) AccD3 0.0176 0.1284 0.2905
Mycobacterium leprae Probable propionyl-CoA carboxylase beta chain 5 AccD5 (PCCASE) (PROPANOYL-COA:CARBON DIOXIDE LIGASE) 0.0176 0.1284 0.2905
Leishmania major carbamoyl-phosphate synthase, putative 0.0112 0.0786 0.0529
Schistosoma mansoni dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase 0.0045 0.0271 0.0102
Schistosoma mansoni dihydrolipoamide S-acetyltransferase 0.0045 0.0271 0.0102
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.004 0.0039
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0176 0.1284 0.172
Mycobacterium tuberculosis Probable pyruvate carboxylase Pca (pyruvic carboxylase) 0.0494 0.3758 1
Echinococcus multilocularis cpg binding protein 0.0037 0.0203 0.0202
Loa Loa (eye worm) hypothetical protein 0.0033 0.0171 0.0176
Loa Loa (eye worm) carboxyl transferase domain-containing protein 0.1252 0.9647 1
Mycobacterium ulcerans bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3 0.0494 0.3758 1
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.004 0.0039
Echinococcus multilocularis propionyl coenzyme A carboxylase beta chain 0.0176 0.1284 0.1283
Trypanosoma brucei glutamine hydrolysing (not ammonia-dependent) carbomoyl phosphate synthase, putative 0.0112 0.0786 0.0529
Mycobacterium leprae Probable propyonyl-CoA carboxylase beta chain 4 AccD4 (Pccase) 0.0176 0.1284 0.2905
Plasmodium vivax carbamoyl phosphate synthetase, putative 0.0112 0.0786 0.0742
Brugia malayi CXXC zinc finger family protein 0.0035 0.0187 0.0194
Echinococcus granulosus dihydrolipoyllysine residue succinyltransferase 0.0045 0.0271 0.027
Schistosoma mansoni dihydrolipoamide succinyltransferase component of 2-oxoglutarate dehydrogenase 0.0045 0.0271 0.0102
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 5 AccD5 0.0176 0.1284 0.2905
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0112 0.0786 0.0626
Trypanosoma cruzi glutamine-dependent carbamoyl-phosphate synthetase, putative 0.0112 0.0786 0.0874
Echinococcus multilocularis dihydrolipoyllysine residue succinyltransferase 0.0045 0.0271 0.027
Schistosoma mansoni cpg binding protein 0.0037 0.0203 0.0032
Onchocerca volvulus 0.0035 0.0187 1
Mycobacterium ulcerans acetyl/propionyl CoA carboxylase subunit beta 0.0176 0.1284 0.2905
Trypanosoma cruzi glutamine dependent carbamoyl-phosphate synthase, putative 0.0112 0.0786 0.0874
Leishmania major methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein 0.0494 0.3758 0.3584
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0053 0.0055
Plasmodium falciparum biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.0939 0.7214 1
Leishmania major propionyl-coa carboxylase beta chain, putative 0.0176 0.1284 0.1041
Toxoplasma gondii acetyl-CoA carboxylase ACC1 0.1297 1 1
Leishmania major carboxylase, putative 0.0494 0.3758 0.3584
Loa Loa (eye worm) hypothetical protein 0.0045 0.0271 0.028
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0171 0.0176
Chlamydia trachomatis acetyl-coenzyme A carboxylase carboxyl transferase subunit beta 0.0176 0.1284 0.3233
Leishmania major 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0176 0.1284 0.1041
Loa Loa (eye worm) hypothetical protein 0.0015 0.0035 0.0035
Brugia malayi Lipoamide acyltransferase component of branched-chain alpha-keto aciddehydrogenase complex, mitochondrial precursor 0.0045 0.0271 0.0281
Echinococcus granulosus cpg binding protein 0.0037 0.0203 0.0202
Chlamydia trachomatis biotin carboxylase 0.0449 0.3405 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0166 0.0171
Loa Loa (eye worm) hypothetical protein 0.0016 0.004 0.004
Leishmania major acetyl-CoA carboxylase, putative 0.1297 1 1
Brugia malayi dihydrolipoamide S-acetyltransferase precursor, putative 0.0045 0.0271 0.0281
Echinococcus granulosus lamin dm0 0.0033 0.0171 0.017
Trypanosoma brucei 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0176 0.1284 0.1041
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.0494 0.3758 0.365
Giardia lamblia Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative 0.0221 0.1637 0.5
Mycobacterium tuberculosis Acetyl/propionyl-CoA carboxylase (beta subunit) AccD6 0.0176 0.1284 0.2905
Loa Loa (eye worm) hypothetical protein 0.0015 0.0035 0.0035
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0171 0.0177
Echinococcus granulosus propionyl coenzyme A carboxylase alpha chain 0.0494 0.3758 0.3757
Mycobacterium ulcerans acetyl-/propionyl-CoA carboxylase subunit beta 0.0176 0.1284 0.2905
Echinococcus granulosus lamin 0.0033 0.0171 0.017
Echinococcus granulosus dihydrolipoyllysine residue acetyltransferase 0.0045 0.0271 0.027
Mycobacterium leprae Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP) 0.0494 0.3758 1
Echinococcus granulosus intermediate filament protein 0.0033 0.0171 0.017
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0053 0.0054
Plasmodium falciparum carbamoyl phosphate synthetase 0.0112 0.0786 0.0742
Echinococcus multilocularis dihydrolipoyllysine residue acetyltransferase 0.0045 0.0271 0.027

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.0045 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Fluorescein Labeled MLL-derived Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) 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.