Detailed information for compound 317518

Basic information

Technical information
  • TDR Targets ID: 317518
  • Name: 5-(4-chlorophenyl)-2-(cyclohexylmethoxy)-6-(2 ,4-dichlorophenyl)-N-methylpyridine-3-carboxa mide
  • MW: 503.848 | Formula: C26H25Cl3N2O2
  • H donors: 1 H acceptors: 2 LogP: 7.98 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 2
  • SMILES: CNC(=O)c1cc(c2ccc(cc2)Cl)c(nc1OCC1CCCCC1)c1ccc(cc1Cl)Cl
  • InChi: 1S/C26H25Cl3N2O2/c1-30-25(32)22-14-21(17-7-9-18(27)10-8-17)24(20-12-11-19(28)13-23(20)29)31-26(22)33-15-16-5-3-2-4-6-16/h7-14,16H,2-6,15H2,1H3,(H,30,32)
  • InChiKey: ZRPASWQEENKWNT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5-(4-chlorophenyl)-2-(cyclohexylmethoxy)-6-(2,4-dichlorophenyl)-N-methyl-pyridine-3-carboxamide
  • 5-(4-chlorophenyl)-2-(cyclohexylmethoxy)-6-(2,4-dichlorophenyl)-N-methyl-3-pyridinecarboxamide
  • 5-(4-chlorophenyl)-2-(cyclohexylmethoxy)-6-(2,4-dichlorophenyl)-N-methyl-nicotinamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cannabinoid receptor 1 (brain) Starlite/ChEMBL 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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Probable conserved integral membrane protein 0.0039 0.0849 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0077 0.0168
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0004 0.0013 0.0024
Brugia malayi hypothetical protein 0.0006 0.0068 0.0123
Echinococcus granulosus CAAX prenyl protease 2 0.019 0.4434 0.4427
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0007 0.0092 0.0079
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0006 0.0068 0.0123
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0006 0.0068 0.0068
Wolbachia endosymbiont of Brugia malayi parvulin-like peptidyl-prolyl isomerase, PPID 0.0011 0.0167 0.5
Brugia malayi Trypsin family protein 0.0098 0.224 0.5036
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0004 0.0013 0.0024
Plasmodium falciparum protease, putative 0.0039 0.0849 1
Trichomonas vaginalis helicase, putative 0.0007 0.0077 0.0168
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0006 0.0068 0.0055
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0063 0.1418 0.1418
Schistosoma mansoni cercarial elastase (S01 family) 0.0006 0.0068 0.0068
Brugia malayi Trypsin family protein 0.0006 0.0068 0.0123
Echinococcus granulosus enteropeptidase 0.0006 0.0068 0.0055
Loa Loa (eye worm) hypothetical protein 0.0006 0.0068 0.0123
Schistosoma mansoni GTP-binding protein (I) alpha-1subunit gnai1 0.0004 0.0013 0.0013
Echinococcus granulosus transmembrane protease serine 3 0.0006 0.0068 0.0055
Brugia malayi CAAX amino terminal protease family protein 0.019 0.4434 1
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0077 0.0168
Loa Loa (eye worm) hypothetical protein 0.0006 0.0068 0.0123
Echinococcus granulosus expressed protein 0.0035 0.074 0.0728
Schistosoma mansoni cercarial elastase (S01 family) 0.0006 0.0068 0.0068
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.0624 0.1382
Echinococcus multilocularis transmembrane protease serine 3 0.0006 0.0068 0.0055
Brugia malayi Trypsin-like protease protein 5 0.0006 0.0068 0.0123
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0035 0.074 0.1643
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0077 0.0168
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.019 0.4434 0.4434
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0077 0.0168
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0004 0.0018 0.0018
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0133 0.027
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0077 0.0168
Loa Loa (eye worm) hypothetical protein 0.0006 0.0068 0.0123
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0077 0.0168
Trypanosoma brucei CAAX amino terminal protease, putative 0.019 0.4434 1
Onchocerca volvulus 0.0098 0.224 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.2172 0.2172
Schistosoma mansoni cercarial elastase (S01 family) 0.0006 0.0068 0.0068
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0004 0.0013 0.0024
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0095 0.2172 0.2161
Brugia malayi Trypsin family protein 0.0006 0.0068 0.0123
Toxoplasma gondii CAAX amino terminal protease family protein 0.0039 0.0849 0.625
Brugia malayi Trypsin family protein 0.0006 0.0068 0.0123
Schistosoma mansoni cercarial elastase (S01 family) 0.0006 0.0068 0.0068
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.019 0.4434 0.4434
Schistosoma mansoni cpg binding protein 0.0031 0.0665 0.0665
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0004 0.0013 0.0024
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0006 0.0068 0.0055
Mycobacterium tuberculosis Probable conserved integral membrane protein 0.0039 0.0849 0.5
Brugia malayi CXXC zinc finger family protein 0.003 0.0624 0.1382
Onchocerca volvulus 0.0006 0.0068 0.0245
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0006 0.0068 0.0068
Schistosoma mansoni cercarial elastase (S01 family) 0.0006 0.0068 0.0068
Schistosoma mansoni cercarial elastase (S01 family) 0.0006 0.0068 0.0068
Schistosoma mansoni cpg binding protein 0.0031 0.0665 0.0665
Onchocerca volvulus 0.0091 0.2088 0.932
Schistosoma mansoni GTP-binding protein (q) alpha-11 subunit gna11 0.0004 0.0013 0.0013
Trichomonas vaginalis GTP-binding protein (O) alpha subunit, gnao, putative 0.0004 0.0013 0.0024
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0077 0.0168
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0004 0.0013 0.0013
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0077 0.0168
Schistosoma mansoni cercarial elastase (S01 family) 0.0006 0.0068 0.0068
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0.0092 0.0079
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0136 0.0122
Schistosoma mansoni cercarial elastase (S01 family) 0.0006 0.0068 0.0068
Plasmodium vivax protease, putative 0.0039 0.0849 0.5
Echinococcus granulosus cpg binding protein 0.0031 0.0665 0.0652
Echinococcus multilocularis cpg binding protein 0.0031 0.0665 0.0652
Toxoplasma gondii hypothetical protein 0.0039 0.0849 0.625
Mycobacterium ulcerans hypothetical protein 0.0039 0.0849 1
Schistosoma mansoni hypothetical protein 0.0006 0.0068 0.0068
Onchocerca volvulus 0.0006 0.0068 0.0245
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0095 0.2172 0.2161
Schistosoma mansoni hypothetical protein 0.0006 0.0068 0.0068
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0136 0.0122
Mycobacterium tuberculosis Conserved hypothetical protein 0.0039 0.0849 0.5
Echinococcus granulosus Mastin 0.0006 0.0068 0.0055
Echinococcus granulosus mixed lineage leukemia protein mll 0.0007 0.0092 0.0079
Entamoeba histolytica CAAX prenyl protease family 0.019 0.4434 1
Echinococcus granulosus muscleblind protein 0.0155 0.3599 0.359
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0.0092 0.0079
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0035 0.074 0.1643
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.074 0.1664
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0034 0.0721 0.1297
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0034 0.0721 0.1297
Onchocerca volvulus 0.0006 0.0068 0.0245
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0006 0.0068 0.0068
Schistosoma mansoni trimeric G-protein alpha o subunit 0.0004 0.0013 0.0013
Echinococcus multilocularis CAAX prenyl protease 2 0.019 0.4434 0.4427
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0006 0.0068 0.0068
Onchocerca volvulus 0.0006 0.0068 0.0245
Loa Loa (eye worm) hypothetical protein 0.0098 0.224 0.5036
Chlamydia trachomatis hypothetical protein 0.0039 0.0849 0.5
Brugia malayi Muscleblind-like protein 0.0155 0.3599 0.8111
Schistosoma mansoni cercarial elastase (S01 family) 0.0006 0.0068 0.0068
Toxoplasma gondii histone lysine methyltransferase SET1 0.0056 0.1258 1
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0034 0.0721 0.1297
Trichomonas vaginalis GTP-binding protein (z) alpha subunit, gnaz, putative 0.0004 0.0013 0.0024
Echinococcus multilocularis dnaJ subfamily B 0.0423 1 1
Echinococcus multilocularis expressed protein 0.0035 0.074 0.0728
Schistosoma mansoni GTP-binding protein (I) alpha subunit gnai 0.0004 0.0013 0.0013
Mycobacterium ulcerans hypothetical protein 0.0039 0.0849 1
Echinococcus multilocularis muscleblind protein 0.0155 0.3599 0.359
Schistosoma mansoni cercarial elastase (S01 family) 0.0006 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0098 0.224 0.5036
Mycobacterium ulcerans integral membrane protein 0.0039 0.0849 1
Toxoplasma gondii peptidylprolyl isomerase 0.0034 0.0721 0.5075
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0034 0.0721 0.1297
Onchocerca volvulus 0.003 0.0624 0.2745
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0077 0.0168
Treponema pallidum hypothetical protein 0.0039 0.0849 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0077 0.0168
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0095 0.2172 0.2161
Loa Loa (eye worm) trypsin family protein 0.0006 0.0068 0.0123
Schistosoma mansoni GTP-binding protein alpha subunit gna 0.0004 0.0013 0.0013
Onchocerca volvulus 0.0006 0.0068 0.0245
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.2172 0.2172
Echinococcus multilocularis enteropeptidase 0.0006 0.0068 0.0055
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0077 0.0168
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0006 0.0068 0.0055
Echinococcus multilocularis Mastin 0.0006 0.0068 0.0055
Schistosoma mansoni GTP-binding protein alpha subunit 0.0004 0.0013 0.0013
Schistosoma mansoni cpg binding protein 0.003 0.0624 0.0624
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0034 0.0721 0.1625
Loa Loa (eye worm) hypothetical protein 0.0155 0.3599 0.8111
Trichomonas vaginalis GTP-binding protein (q) alpha-11 subunit, gna11, putative 0.0004 0.0013 0.0024
Trypanosoma cruzi CAAX prenyl protease 2, putative 0.019 0.4434 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0077 0.0168
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0006 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0006 0.0068 0.0123
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0006 0.0068 0.0055
Echinococcus granulosus glycoprotein Antigen 5 0.0006 0.0068 0.0055
Schistosoma mansoni GTP-binding protein (I) alpha-1subunit gnai1 0.0004 0.0013 0.0013
Trichomonas vaginalis rotamase, putative 0.0035 0.074 0.1664
Trichomonas vaginalis Clan U, family U48, CaaX prenyl peptidase 2-like 0.019 0.4434 1
Trypanosoma cruzi peptidase with unknown catalytic mechanism (family U48) 0.019 0.4434 1
Schistosoma mansoni hypothetical protein 0.0423 1 1
Entamoeba histolytica CAAX amino terminal protease family 0.0039 0.0849 0.1914
Loa Loa (eye worm) hypothetical protein 0.019 0.4434 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0095 0.2172 0.2161
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0077 0.0168
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0098 0.224 0.224
Entamoeba histolytica G protein alpha subunit, putative 0.0004 0.0013 0.003
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.2172 0.2172
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0077 0.0168
Schistosoma mansoni rotamase 0.0035 0.074 0.074
Trichomonas vaginalis G protein (olf) alpha subunit, gnal, putative 0.0004 0.0013 0.0024
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0092 0.0092
Trichomonas vaginalis rotamase, putative 0.0034 0.0721 0.162
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0077 0.0168
Entamoeba histolytica CAAX amino terminal protease family 0.0039 0.0849 0.1914
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0095 0.2172 0.4882
Giardia lamblia Hypothetical protein 0.019 0.4434 0.5
Loa Loa (eye worm) hypothetical protein 0.0155 0.3599 0.8111
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0004 0.0013 0.0013
Leishmania major CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) 0.019 0.4434 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0095 0.2172 0.4882
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0006 0.0068 0.0068
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0136 0.0276
Toxoplasma gondii hypothetical protein 0.0039 0.0849 0.625
Schistosoma mansoni cercarial elastase (S01 family) 0.0006 0.0068 0.0068
Schistosoma mansoni GTP-binding protein alpha subunit gna 0.0004 0.0013 0.0013
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0077 0.0168
Echinococcus multilocularis muscleblind protein 1 0.0155 0.3599 0.359
Schistosoma mansoni GTP-binding protein alpha subunit 0.0004 0.0013 0.0013
Echinococcus multilocularis glycoprotein Antigen 5 0.0006 0.0068 0.0055
Loa Loa (eye worm) hypothetical protein 0.0006 0.0068 0.0123
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0077 0.0168
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0098 0.224 0.224
Mycobacterium tuberculosis Probable integral membrane protein 0.0039 0.0849 0.5
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0004 0.0013 0.0013
Schistosoma mansoni GTP-binding protein (q) alpha-11 subunit gna11 0.0004 0.0013 0.0013

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 3.4 nM Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1) ChEMBL. 15664830
IC50 (binding) = 3.4 nM Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1) ChEMBL. 15664830

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

1 literature reference was collected for this gene.

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