Detailed information for compound 1417550

Basic information

Technical information
  • TDR Targets ID: 1417550
  • Name: N-[(4-chlorophenyl)methyl]-1-[[1-(cyclobutane carbonyl)-3,4-dihydro-2H-quinolin-6-yl]sulfon yl]piperidine-4-carboxamide
  • MW: 530.079 | Formula: C27H32ClN3O4S
  • H donors: 1 H acceptors: 4 LogP: 3.71 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(C1CCN(CC1)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)C1CCC1)NCc1ccc(cc1)Cl
  • InChi: 1S/C27H32ClN3O4S/c28-23-8-6-19(7-9-23)18-29-26(32)20-12-15-30(16-13-20)36(34,35)24-10-11-25-22(17-24)5-2-14-31(25)27(33)21-3-1-4-21/h6-11,17,20-21H,1-5,12-16,18H2,(H,29,32)
  • InChiKey: CWWQYGPZYGOMEV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[(4-chlorophenyl)methyl]-1-[[1-(cyclobutyl-oxomethyl)-3,4-dihydro-2H-quinolin-6-yl]sulfonyl]-4-piperidinecarboxamide
  • N-(4-chlorobenzyl)-1-[[1-(cyclobutanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]sulfonyl]isonipecotamide
  • N-[(4-chlorophenyl)methyl]-1-[(1-cyclobutylcarbonyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide
  • G855-3297
  • NCGC00135494-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
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
Echinococcus multilocularis cytoplasmic intermediate filament protein 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
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin 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 Intermediate filament protein ifa-1, putative 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
Schistosoma japonicum expressed 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
Schistosoma japonicum expressed 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
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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus 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
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi 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 protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus 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 tail domain-containing protein 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
Brugia malayi 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
Onchocerca volvulus 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
Schistosoma mansoni lamin 0.0033 0.1406 0.4021
Schistosoma mansoni hypothetical protein 0.0031 0.134 0.3833
Echinococcus multilocularis lamin dm0 0.0033 0.1406 1
Onchocerca volvulus 0.0033 0.1406 0.1406
Schistosoma mansoni intermediate filament proteins 0.0033 0.1406 0.4021
Echinococcus multilocularis musashi 0.0033 0.1406 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.134 0.134
Loa Loa (eye worm) intermediate filament protein 0.0033 0.1406 0.1406
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0022 0.0808 1
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0022 0.0808 0.5
Loa Loa (eye worm) hypothetical protein 0.0016 0.0411 0.0411
Echinococcus multilocularis Aminotransferase class III 0.0022 0.0808 0.5751
Echinococcus multilocularis ornithine aminotransferase 0.0022 0.0808 0.5751
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0178 1 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.134 0.9534
Echinococcus granulosus lamin dm0 0.0033 0.1406 1
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.0411 0.2921
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.134 0.134
Plasmodium vivax ornithine aminotransferase, putative 0.0022 0.0808 0.5
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0158 0.8809 1
Echinococcus multilocularis ornithine aminotransferase 0.0022 0.0808 0.5751
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0099 0.5354 0.5354
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.1406 0.1406
Echinococcus granulosus ornithine aminotransferase 0.0022 0.0808 0.5751
Loa Loa (eye worm) hypothetical protein 0.0033 0.1406 0.1406
Loa Loa (eye worm) hypothetical protein 0.0031 0.134 0.134
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0099 0.5354 0.5354
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0513 0.0513
Brugia malayi Calcitonin receptor-like protein seb-1 0.0099 0.5354 0.5354
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0022 0.0808 0.0808
Brugia malayi intermediate filament protein 0.0033 0.1406 0.1406
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0022 0.0808 0.2312
Mycobacterium ulcerans hypothetical protein 0.0158 0.8809 1
Schistosoma mansoni hypothetical protein 0.0068 0.3496 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.137 0.137
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0158 0.8809 0.5
Schistosoma mansoni lamin 0.0033 0.1406 0.4021
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.3496 0.3496
Echinococcus granulosus intermediate filament protein 0.0033 0.1406 1
Echinococcus granulosus Aminotransferase class III 0.0022 0.0808 0.5751
Loa Loa (eye worm) hypothetical protein 0.0099 0.5354 0.5354
Schistosoma mansoni hypothetical protein 0.0031 0.134 0.3833
Brugia malayi Latrophilin receptor protein 2 0.0031 0.134 0.134
Echinococcus granulosus lamin 0.0033 0.1406 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.134 0.9534
Echinococcus multilocularis GPCR, family 2 0.0031 0.134 0.9534
Schistosoma mansoni hypothetical protein 0.0031 0.134 0.3833
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.134 0.9534
Loa Loa (eye worm) hypothetical protein 0.0068 0.3496 0.3496
Onchocerca volvulus 0.0033 0.1406 0.1406
Mycobacterium tuberculosis Probable aminotransferase 0.0158 0.8809 1
Plasmodium falciparum ornithine aminotransferase 0.0022 0.0808 0.5
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0158 0.8809 1
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0158 0.8809 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0375 0.0375
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.134 0.9534
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.0411 0.2921
Echinococcus granulosus GPCR family 2 0.0031 0.134 0.9534
Loa Loa (eye worm) hypothetical protein 0.0178 1 1
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0022 0.0808 0.5
Schistosoma mansoni hypothetical protein 0.0031 0.134 0.3833
Loa Loa (eye worm) hypothetical protein 0.0015 0.0375 0.0375
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.1406 0.1406
Echinococcus multilocularis lamin 0.0033 0.1406 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0513 0.0513

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.5623 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. A Novel Cell-Based Assay to Identify Small Molecules for B -Galactocerebrosidase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] 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
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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