Detailed information for compound 1431986

Basic information

Technical information
  • TDR Targets ID: 1431986
  • Name: 2-chloro-N-[1-[(4-chlorophenyl)methyl]piperid in-3-yl]pyridine-4-carboxamide
  • MW: 364.269 | Formula: C18H19Cl2N3O
  • H donors: 1 H acceptors: 2 LogP: 3.8 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)CN1CCCC(C1)NC(=O)c1ccnc(c1)Cl
  • InChi: 1S/C18H19Cl2N3O/c19-15-5-3-13(4-6-15)11-23-9-1-2-16(12-23)22-18(24)14-7-8-21-17(20)10-14/h3-8,10,16H,1-2,9,11-12H2,(H,22,24)
  • InChiKey: SSIKXGDEWRASFM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-chloro-N-[1-[(4-chlorophenyl)methyl]-3-piperidyl]pyridine-4-carboxamide
  • 2-chloro-N-[1-[(4-chlorophenyl)methyl]-3-piperidinyl]-4-pyridinecarboxamide
  • 2-chloro-N-[1-(4-chlorobenzyl)-3-piperidyl]isonicotinamide
  • SMR000495741
  • 2-chloro-N-[1-(4-chlorobenzyl)piperidin-3-yl]isonicotinamide
  • MLS001008633

Targets

Known targets for this compound

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

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Mycobacterium ulcerans amidase 0.0182 0.0811 0.113
Brugia malayi Amidase family protein 0.0182 0.0811 0.0811
Echinococcus granulosus fatty acid amide hydrolase 1 0.1506 1 1
Toxoplasma gondii hydrolase, alpha/beta fold family protein 0.0065 0 0.5
Mycobacterium ulcerans amidase 0.0182 0.0811 0.113
Trichomonas vaginalis conserved hypothetical protein 0.1099 0.7178 1
Toxoplasma gondii hypothetical protein 0.0065 0 0.5
Toxoplasma gondii peptidase S15, putative 0.0065 0 0.5
Echinococcus multilocularis fatty acid amide hydrolase 1 0.1506 1 1
Trypanosoma cruzi amidase, putative 0.0182 0.0811 0.113
Brugia malayi Amidase family protein 0.0182 0.0811 0.0811
Wolbachia endosymbiont of Brugia malayi aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0182 0.0811 0.5
Plasmodium vivax glutamyl-tRNA(Gln) amidotransferase subunit A, putative 0.0182 0.0811 0.113
Mycobacterium tuberculosis Possible amidase (aminohydrolase) 0.0182 0.0811 0.113
Loa Loa (eye worm) amidase 0.0182 0.0811 0.0811
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.1099 0.7178 1
Trypanosoma brucei monoglyceride lipase, putative 0.1099 0.7178 1
Trypanosoma cruzi monoglyceride lipase, putative 0.1099 0.7178 1
Toxoplasma gondii esterase/lipase/thioesterase domain-containing protein 0.0065 0 0.5
Plasmodium falciparum lysophospholipase, putative 0.1099 0.7178 1
Mycobacterium ulcerans lysophospholipase 0.1099 0.7178 1
Brugia malayi putative amidase 0.0182 0.0811 0.0811
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.1099 0.7178 1
Trypanosoma brucei monoglyceride lipase, putative 0.1099 0.7178 1
Leishmania major hypothetical protein, conserved 0.0182 0.0811 0.113
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.1099 0.7178 1
Schistosoma mansoni glutamyl-tRNA(Gln) amidotransferase subunit A 0.0182 0.0811 0.0811
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.1099 0.7178 1
Mycobacterium tuberculosis Probable amidase AmiB2 (aminohydrolase) 0.0182 0.0811 0.113
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE 0.1099 0.7178 1
Echinococcus granulosus fatty acid amide hydrolase 1 0.0182 0.0811 0.0811
Trypanosoma cruzi amidase, putative 0.0182 0.0811 0.113
Leishmania major monoglyceride lipase, putative 0.1099 0.7178 1
Mycobacterium ulcerans hypothetical protein 0.1099 0.7178 1
Treponema pallidum aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0182 0.0811 0.5
Loa Loa (eye worm) amidase 0.0182 0.0811 0.0811
Mycobacterium tuberculosis Probable amidase AmiA2 (aminohydrolase) 0.0182 0.0811 0.113
Plasmodium falciparum esterase, putative 0.1099 0.7178 1
Chlamydia trachomatis glutamyl-tRNA(Gln) amidotransferase subunit A 0.0182 0.0811 1
Mycobacterium ulcerans amidase 0.0182 0.0811 0.113
Toxoplasma gondii hypothetical protein 0.0065 0 0.5
Toxoplasma gondii phospholipase 0.0065 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.1099 0.7178 1
Plasmodium falciparum lysophospholipase, putative 0.1099 0.7178 1
Mycobacterium tuberculosis Probable amidase AmiC (aminohydrolase) 0.0182 0.0811 0.113
Mycobacterium ulcerans peptide amidase, GatA 0.0182 0.0811 0.113
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.1099 0.7178 1
Echinococcus granulosus fatty acid amide hydrolase 1 0.1506 1 1
Mycobacterium ulcerans amidase 0.0182 0.0811 0.113
Mycobacterium tuberculosis Probable amidase AmiD (acylamidase) (acylase) 0.0182 0.0811 0.113
Schistosoma mansoni amidase 0.1506 1 1
Plasmodium vivax PST-A protein 0.1099 0.7178 1
Mycobacterium ulcerans amidase 0.0182 0.0811 0.113
Mycobacterium tuberculosis Possible lysophospholipase 0.1099 0.7178 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.1099 0.7178 1
Giardia lamblia Cgi67 serine protease precursor-like protein 0.0065 0 0.5
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0182 0.0811 0.0811
Plasmodium falciparum glutamyl-tRNA(Gln) amidotransferase subunit A 0.0182 0.0811 0.113
Toxoplasma gondii protein c14orf29, putative 0.0065 0 0.5
Loa Loa (eye worm) hypothetical protein 0.1506 1 1
Toxoplasma gondii hypothetical protein 0.0065 0 0.5
Mycobacterium ulcerans aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0182 0.0811 0.113
Schistosoma mansoni fatty-acid amide hydrolase 0.0182 0.0811 0.0811
Echinococcus multilocularis glutamyl tRNA(Gln) amidotransferase subunit A 0.0182 0.0811 0.0811
Toxoplasma gondii hypothetical protein 0.0065 0 0.5
Echinococcus multilocularis fatty acid amide hydrolase 1 0.1506 1 1
Toxoplasma gondii hydrolase, alpha/beta fold family protein 0.0065 0 0.5
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.1099 0.7178 1
Trypanosoma brucei fatty-acid amide hydrolase, putative 0.0182 0.0811 0.113
Plasmodium falciparum lysophospholipase, putative 0.1099 0.7178 1
Schistosoma mansoni fatty-acid amide hydrolase 0.1506 1 1
Trichomonas vaginalis valacyclovir hydrolase, putative 0.1099 0.7178 1
Echinococcus granulosus glutamyl tRNAGln amidotransferase subunit A 0.0182 0.0811 0.0811
Toxoplasma gondii phospholipase/carboxylesterase 0.0065 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (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, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 20.5878 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 28.1838 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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] 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) = 112.2018 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] 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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