Detailed information for compound 1265423

Basic information

Technical information
  • TDR Targets ID: 1265423
  • Name: N-(oxolan-2-ylmethyl)-2-phenylquinoline-4-car boxamide
  • MW: 332.396 | Formula: C21H20N2O2
  • H donors: 1 H acceptors: 2 LogP: 3.54 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cc(nc2c1cccc2)c1ccccc1)NCC1CCCO1
  • InChi: 1S/C21H20N2O2/c24-21(22-14-16-9-6-12-25-16)18-13-20(15-7-2-1-3-8-15)23-19-11-5-4-10-17(18)19/h1-5,7-8,10-11,13,16H,6,9,12,14H2,(H,22,24)
  • InChiKey: ZLPQNEBQRNLUPQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-phenyl-N-(tetrahydrofuran-2-ylmethyl)quinoline-4-carboxamide
  • 2-phenyl-N-(2-tetrahydrofuranylmethyl)-4-quinolinecarboxamide
  • 2-phenyl-N-(tetrahydrofurfuryl)cinchoninamide
  • N-(oxolan-2-ylmethyl)-2-phenyl-quinoline-4-carboxamide
  • BIM-0035412.P001
  • AE-848/11735758
  • 2-Phenyl-quinoline-4-carboxylic acid (tetrahydro-furan-2-ylmethyl)-amide
  • MLS001012176
  • SMR000425349
  • Oprea1_543758
  • ChemDiv2_008287
  • ST043220
  • EU-0096851
  • Oprea1_203947
  • CBMicro_035347

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens l(3)mbt-like 1 (Drosophila) Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni hypothetical protein Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma japonicum Lethal(3)malignant brain tumor-like 4 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum Lethal(3)malignant brain tumor-like 3 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Echinococcus multilocularis endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium ulcerans carboxylesterase, LipT 0.0278 0.1401 0.5
Loa Loa (eye worm) mbt repeat family protein 0.0058 0.0015 0.0015
Echinococcus multilocularis carboxylesterase 5A 0.1647 1 1
Loa Loa (eye worm) MBCTL1 0.0066 0.0065 0.0065
Loa Loa (eye worm) hypothetical protein 0.0278 0.1401 0.1401
Loa Loa (eye worm) carboxylesterase 0.1647 1 1
Schistosoma mansoni BC026374 protein (S09 family) 0.0278 0.1401 0.1401
Loa Loa (eye worm) carboxylesterase 0.0278 0.1401 0.1401
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0278 0.1401 0.1401
Onchocerca volvulus 0.0278 0.1401 1
Echinococcus multilocularis para nitrobenzyl esterase 0.0278 0.1401 0.1401
Echinococcus granulosus SAM and MBT domain containing protein 0.0058 0.0015 0.0015
Onchocerca volvulus 0.0278 0.1401 1
Echinococcus multilocularis histone acetyltransferase MYST2 0.0066 0.0065 0.0065
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0227 0.1079 0.1079
Schistosoma mansoni gliotactin 0.0278 0.1401 0.1401
Echinococcus multilocularis acetylcholinesterase 0.1647 1 1
Loa Loa (eye worm) hypothetical protein 0.0278 0.1401 0.1401
Onchocerca volvulus 0.0278 0.1401 1
Echinococcus multilocularis neuroligin 0.0278 0.1401 0.1401
Loa Loa (eye worm) hypothetical protein 0.0278 0.1401 0.1401
Brugia malayi Carboxylesterase family protein 0.0278 0.1401 0.1401
Brugia malayi Carboxylesterase family protein 0.0278 0.1401 0.1401
Onchocerca volvulus 0.0278 0.1401 1
Echinococcus granulosus acetylcholinesterase 0.1647 1 1
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0066 0.0065 0.0065
Schistosoma mansoni neuroligin 3 (S09 family) 0.0278 0.1401 0.1401
Brugia malayi hypothetical protein 0.0278 0.1401 0.1401
Echinococcus granulosus histone acetyltransferase MYST2 0.0066 0.0065 0.0065
Loa Loa (eye worm) hypothetical protein 0.0278 0.1401 0.1401
Loa Loa (eye worm) acetylcholinesterase 1 0.1647 1 1
Brugia malayi Carboxylesterase family protein 0.1647 1 1
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0227 0.1079 0.1079
Echinococcus multilocularis acetylcholinesterase 0.1647 1 1
Brugia malayi Carboxylesterase family protein 0.0278 0.1401 0.1401
Schistosoma mansoni myelin transcription factor 1 myt1 0.0066 0.0065 0.0065
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0278 0.1401 0.5
Echinococcus multilocularis BC026374 protein (S09 family) 0.0278 0.1401 0.1401
Loa Loa (eye worm) hypothetical protein 0.0278 0.1401 0.1401
Loa Loa (eye worm) hypothetical protein 0.1647 1 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0278 0.1401 0.5
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0278 0.1401 0.5
Brugia malayi mbt repeat family protein 0.0058 0.0015 0.0015
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0278 0.1401 0.1401
Brugia malayi Carboxylesterase family protein 0.0278 0.1401 0.1401
Schistosoma mansoni hypothetical protein 0.035 0.1853 0.1853
Mycobacterium tuberculosis Carboxylesterase LipT 0.0278 0.1401 0.5
Loa Loa (eye worm) hypothetical protein 0.0066 0.0065 0.0065
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0278 0.1401 0.1401
Echinococcus granulosus para nitrobenzyl esterase 0.0278 0.1401 0.1401
Loa Loa (eye worm) hypothetical protein 0.0058 0.0015 0.0015
Echinococcus granulosus acetylcholinesterase 0.1647 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0278 0.1401 0.1401
Loa Loa (eye worm) carboxylesterase 0.0278 0.1401 0.1401
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0066 0.0065 0.0065
Echinococcus granulosus polycomb protein SCMH1 0.0058 0.0015 0.0015
Echinococcus granulosus BC026374 protein S09 family 0.0278 0.1401 0.1401
Echinococcus multilocularis polycomb protein SCMH1 0.0058 0.0015 0.0015
Echinococcus granulosus neuroligin 0.0278 0.1401 0.1401
Echinococcus granulosus carboxylesterase 5A 0.1647 1 1
Onchocerca volvulus 0.0278 0.1401 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0278 0.1401 0.1401
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.0015 0.0015
Brugia malayi mbt repeat family protein 0.0058 0.0015 0.0015
Echinococcus multilocularis SAM and MBT domain containing protein 0.0058 0.0015 0.0015
Loa Loa (eye worm) hypothetical protein 0.0278 0.1401 0.1401
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.1647 1 1
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0066 0.0065 0.0065
Loa Loa (eye worm) hypothetical protein 0.1647 1 1
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0058 0.0015 0.0015
Schistosoma mansoni acetylcholinesterase 0.0278 0.1401 0.1401
Trichomonas vaginalis spcc417.12 protein, putative 0.0278 0.1401 0.5
Loa Loa (eye worm) hypothetical protein 0.0278 0.1401 0.1401
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.0015 0.0015

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.8913 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) = 1.4125 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) = 1.7783 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.1475 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 5.0119 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (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) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] 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
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the Phosphatase Activity of Eya2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488939] 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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