Detailed information for compound 1270532

Basic information

Technical information
  • TDR Targets ID: 1270532
  • Name: 1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sul fonyl]-N-[(2-chlorophenyl)methyl]piperidine-3 -carboxamide
  • MW: 490.015 | Formula: C24H28ClN3O4S
  • H donors: 1 H acceptors: 4 LogP: 2.71 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1CCCN(C1)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)C)NCc1ccccc1Cl
  • InChi: 1S/C24H28ClN3O4S/c1-17(29)28-13-5-7-18-14-21(10-11-23(18)28)33(31,32)27-12-4-8-20(16-27)24(30)26-15-19-6-2-3-9-22(19)25/h2-3,6,9-11,14,20H,4-5,7-8,12-13,15-16H2,1H3,(H,26,30)
  • InChiKey: IGSWHXZRIPQARD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-[(2-chlorophenyl)methyl]-3-piperidinecarboxamide
  • 1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-chlorobenzyl)nipecotamide
  • N-[(2-chlorophenyl)methyl]-1-[(1-ethanoyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide
  • NCGC00135301-01
  • G855-0818

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis microtubule associated protein 2 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
Schistosoma mansoni microtubule-associated protein tau 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
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.029 0.1003 1
Trypanosoma brucei target of rapamycin kinase 3, putative 0.029 0.1003 0.6526
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0242 0.0621 0.3608
Trypanosoma cruzi hypothetical protein, conserved 0.0486 0.2551 0.8139
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.029 0.1003 1
Echinococcus granulosus microtubule associated protein 2 0.0833 0.53 0.53
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0242 0.0621 0.198
Trichomonas vaginalis PIKK family atypical protein kinase 0.029 0.1003 0.6879
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.53 0.53
Trichomonas vaginalis PIKK family atypical protein kinase 0.0348 0.1457 1
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.029 0.1003 0.6526
Echinococcus multilocularis serine protein kinase ATM 0.0242 0.0621 0.0621
Trichomonas vaginalis PIKK family atypical protein kinase 0.029 0.1003 0.6879
Trichomonas vaginalis PIKK family atypical protein kinase 0.029 0.1003 0.6879
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0242 0.0621 0.198
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0221 0.0455 0.4536
Entamoeba histolytica hypothetical protein 0.0242 0.0621 0.6189
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.1427 1 1
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.029 0.1003 0.6526
Trichomonas vaginalis PIKK family atypical protein kinase 0.029 0.1003 0.6879
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.029 0.1003 0.1892
Trichomonas vaginalis PIKK family atypical protein kinase 0.029 0.1003 0.6879
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.056 0.3134 0.3134
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.029 0.1003 0.3199
Trichomonas vaginalis PIKK family atypical protein kinase 0.029 0.1003 0.6879
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.029 0.1003 0.3199
Trichomonas vaginalis PIKK family atypical protein kinase 0.029 0.1003 0.6879
Echinococcus granulosus serine protein kinase ATM 0.0242 0.0621 0.0621
Trichomonas vaginalis PIKK family atypical protein kinase 0.029 0.1003 0.6879
Trichomonas vaginalis PIKK family atypical protein kinase 0.029 0.1003 0.6879
Loa Loa (eye worm) phosphatidylinositol 3 0.0348 0.1457 1
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.029 0.1003 0.1003
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.029 0.1003 0.1003
Trichomonas vaginalis PIKK family atypical protein kinase 0.029 0.1003 0.6879
Trichomonas vaginalis PIKK family atypical protein kinase 0.029 0.1003 0.6879
Trichomonas vaginalis PIKK family atypical protein kinase 0.029 0.1003 0.6879
Toxoplasma gondii target of rapamycin (TOR), putative 0.029 0.1003 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.029 0.1003 0.6879
Trichomonas vaginalis PIKK family atypical protein kinase 0.029 0.1003 0.6879
Trichomonas vaginalis PIKK family atypical protein kinase 0.029 0.1003 0.6879
Trichomonas vaginalis PIKK family atypical protein kinase 0.029 0.1003 0.6879
Trichomonas vaginalis PIKK family atypical protein kinase 0.029 0.1003 0.6879
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.056 0.3134 1
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0186 0.0178 0.0568
Trichomonas vaginalis PIKK family atypical protein kinase 0.0183 0.0148 0.1017
Trichomonas vaginalis PIKK family atypical protein kinase 0.029 0.1003 0.6879
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.056 0.3134 0.3134
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0348 0.1457 0.2284
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.029 0.1003 0.3199
Trichomonas vaginalis PIKK family atypical protein kinase 0.029 0.1003 0.6879
Trichomonas vaginalis PIKK family atypical protein kinase 0.029 0.1003 0.6879
Loa Loa (eye worm) hypothetical protein 0.0186 0.0178 0.1222
Toxoplasma gondii FATC domain-containing protein 0.0242 0.0621 0.5528
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.056 0.3134 1
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.056 0.3134 0.5914
Trichomonas vaginalis PIKK family atypical protein kinase 0.029 0.1003 0.6879
Leishmania major hypothetical protein, conserved 0.0542 0.2994 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.029 0.1003 0.6879
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0242 0.0621 0.1171
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.53 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.056 0.3134 1
Trichomonas vaginalis conserved hypothetical protein 0.0183 0.0148 0.1017
Loa Loa (eye worm) hypothetical protein 0.0183 0.0148 0.1017
Trichomonas vaginalis PIKK family atypical protein kinase 0.029 0.1003 0.6879
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0348 0.1457 1
Giardia lamblia GTOR 0.029 0.1003 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.029 0.1003 0.6879
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.029 0.1003 0.6526
Trichomonas vaginalis PIKK family atypical protein kinase 0.029 0.1003 0.6879
Trichomonas vaginalis PIKK family atypical protein kinase 0.0221 0.0455 0.3121
Loa Loa (eye worm) phosphatidylinositol 3 0.029 0.1003 0.6879
Trichomonas vaginalis PIKK family atypical protein kinase 0.0242 0.0621 0.4258
Trichomonas vaginalis PIKK family atypical protein kinase 0.029 0.1003 0.6879
Trichomonas vaginalis PIKK family atypical protein kinase 0.029 0.1003 0.6879
Trichomonas vaginalis PIKK family atypical protein kinase 0.029 0.1003 0.6879
Trypanosoma cruzi target of rapamycin kinase 3 0.029 0.1003 0.3199

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.2512 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) 3.9811 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (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) 13.1154 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) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53 Null Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] 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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