Detailed information for compound 1495210

Basic information

Technical information
  • TDR Targets ID: 1495210
  • Name: N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]- 2-(2,3-difluorophenyl)acetamide
  • MW: 378.843 | Formula: C20H21ClF2N2O
  • H donors: 1 H acceptors: 1 LogP: 4.05 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Cc1cccc(c1F)F)NC1CCCN(C1)Cc1ccc(cc1)Cl
  • InChi: 1S/C20H21ClF2N2O/c21-16-8-6-14(7-9-16)12-25-10-2-4-17(13-25)24-19(26)11-15-3-1-5-18(22)20(15)23/h1,3,5-9,17H,2,4,10-13H2,(H,24,26)
  • InChiKey: CWDIRVDDDGOFJJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[1-[(4-chlorophenyl)methyl]-3-piperidyl]-2-(2,3-difluorophenyl)acetamide
  • N-[1-[(4-chlorophenyl)methyl]-3-piperidinyl]-2-(2,3-difluorophenyl)acetamide
  • N-[1-(4-chlorobenzyl)-3-piperidyl]-2-(2,3-difluorophenyl)acetamide
  • N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(2,3-difluorophenyl)ethanamide
  • MLS001162813
  • N-[1-(4-chlorobenzyl)piperidin-3-yl]-2-(2,3-difluorophenyl)acetamide
  • SMR000495686

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus transient receptor potential cation channel, subfamily C, member 4 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus TRP transient receptor potential channel Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K05328 transient receptor potential cation channel, subfamily C,, putative Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
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
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative 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
Schistosoma japonicum Short transient receptor potential channel 5, putative Get druggable targets OG5_128782 All targets in OG5_128782
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma japonicum Short transient receptor potential channel 5, putative Get druggable targets OG5_128782 All targets in OG5_128782
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus transient receptor potential ion channel A Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus granulosus transient receptor potential gamma protein Get druggable targets OG5_128782 All targets in OG5_128782
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
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis TRP (transient receptor potential) channel Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus multilocularis transient receptor potential gamma protein Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus multilocularis transient receptor potential ion channel A Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni transient receptor potential channel 4 Get druggable targets OG5_128782 All targets in OG5_128782
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128782 All targets in OG5_128782
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
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
Brugia malayi Transient-receptor-potential like protein Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni transient receptor potential channel Get druggable targets OG5_128782 All targets in OG5_128782
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum Transient receptor potential-gamma protein, putative Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma japonicum ko:K05328 transient receptor potential cation channel, subfamily C,, putative Get druggable targets OG5_128782 All targets in OG5_128782
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus multilocularis short transient receptor potential channel 6 transient receptor potential cation channel, subfamily C, member 4 890 aa 799 aa 31.2 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
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
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4469 0.343
Toxoplasma gondii cytochrome b 0.0073 0.3972 0.5
Echinococcus multilocularis short transient receptor potential channel 6 0.0078 0.4609 0.4609
Brugia malayi cytochrome b 0.0073 0.3972 0.8887
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.4469 0.4469
Loa Loa (eye worm) RNA binding protein 0.0076 0.4469 0.4469
Schistosoma mansoni transient receptor potential channel 4 0.0117 1 1
Echinococcus granulosus short transient receptor potential channel 6 0.0078 0.4609 0.4609
Echinococcus granulosus transient receptor potential ion channel A 0.0113 0.9469 0.9469
Echinococcus multilocularis transient receptor potential gamma protein 0.0117 1 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1582 0.3539
Plasmodium vivax cytochrome b 0.0073 0.3972 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4469 0.343
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4469 0.343
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1582 0.1582
Echinococcus multilocularis tar DNA binding protein 0.0076 0.4469 0.4469
Schistosoma mansoni transient receptor potential channel 0.0078 0.4609 0.3596
Loa Loa (eye worm) cytochrome b 0.0073 0.3972 0.3972
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1582 0.1582
Echinococcus multilocularis short transient receptor potential channel 6 0.0078 0.4609 0.4609
Wolbachia endosymbiont of Brugia malayi cytochrome b subunit of the bc complex 0.0073 0.3972 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.2256 0.5047
Schistosoma mansoni transient receptor potential channel 0.0117 1 1
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.4469 1
Loa Loa (eye worm) hypothetical protein 0.006 0.2256 0.2256
Schistosoma mansoni transient receptor potential channel 0.0078 0.4609 0.3596
Loa Loa (eye worm) hypothetical protein 0.0117 1 1
Brugia malayi TAR-binding protein 0.0076 0.4469 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.2256 0.2256
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1582 0.1582
Echinococcus granulosus tar DNA binding protein 0.0076 0.4469 0.4469
Schistosoma mansoni cytochrome b 0.0073 0.3972 0.284
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4469 0.343
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1582 0.1582
Schistosoma mansoni cytochrome b 0.0073 0.3972 0.284
Echinococcus multilocularis transient receptor potential ion channel A 0.0113 0.9469 0.9469
Plasmodium falciparum cytochrome b 0.0073 0.3972 0.5
Brugia malayi RNA binding protein 0.0076 0.4469 1
Echinococcus granulosus cytochrome B 0.0073 0.3972 0.3972
Echinococcus granulosus short transient receptor potential channel 6 0.0078 0.4609 0.4609
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1582 0.1582
Toxoplasma gondii apocytochrome b, putative 0.0073 0.3972 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.2256 0.5047
Loa Loa (eye worm) hypothetical protein 0.0074 0.4079 0.4079
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4469 0.343
Loa Loa (eye worm) TAR-binding protein 0.0076 0.4469 0.4469

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) 0.944 uM PUBCHEM_BIOASSAY: Confirmation dose response assay for compounds that activate transient receptor potential cation channel C4 (TRPC4). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2237, AID2259] ChEMBL. No reference
Potency (functional) 5.2213 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) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 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) 11.6891 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) 14.1254 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 21.1923 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.