Detailed information for compound 66544

Basic information

Technical information
  • TDR Targets ID: 66544
  • Name: 3-butoxy-N-(2,6-difluorophenyl)-4-methoxybenz amide
  • MW: 335.345 | Formula: C18H19F2NO3
  • H donors: 1 H acceptors: 1 LogP: 4.15 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCOc1cc(ccc1OC)C(=O)Nc1c(F)cccc1F
  • InChi: 1S/C18H19F2NO3/c1-3-4-10-24-16-11-12(8-9-15(16)23-2)18(22)21-17-13(19)6-5-7-14(17)20/h5-9,11H,3-4,10H2,1-2H3,(H,21,22)
  • InChiKey: NWOCLFCVJFXTGO-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 3-butoxy-N-(2,6-difluorophenyl)-4-methoxy-benzamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Sus scrofa Phosphodiesterase 4A Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) cyclic AMP specific phosphodiesterase PDE4D5A Get druggable targets OG5_128242 All targets in OG5_128242
Neospora caninum cAMP-specific phosphodiesterase, putative Get druggable targets OG5_128242 All targets in OG5_128242
Schistosoma japonicum cAMP-specific 3',5'-cyclic phosphodiesterase 4C, putative Get druggable targets OG5_128242 All targets in OG5_128242
Cryptosporidium parvum membrane associated HD superfamily cyclic nucleotide phosphodiesterase domain containing protein Get druggable targets OG5_128242 All targets in OG5_128242
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Schistosoma japonicum IPR002073,3'5'-cyclic nucleotide phosphodiesterase,domain-containing Get druggable targets OG5_128242 All targets in OG5_128242
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative Get druggable targets OG5_128242 All targets in OG5_128242
Schistosoma japonicum cAMP-specific 3',5'-cyclic phosphodiesterase 4D, putative Get druggable targets OG5_128242 All targets in OG5_128242
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B Get druggable targets OG5_128242 All targets in OG5_128242
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein Get druggable targets OG5_128242 All targets in OG5_128242
Schistosoma japonicum cAMP-specific 3',5'-cyclic phosphodiesterase, isoform F, putative Get druggable targets OG5_128242 All targets in OG5_128242
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Schistosoma japonicum cAMP-specific 3',5'-cyclic phosphodiesterase 4D, putative Get druggable targets OG5_128242 All targets in OG5_128242
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128242 All targets in OG5_128242
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_128242 All targets in OG5_128242
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Onchocerca volvulus SH3 domain-binding glutamic acid-rich protein homolog Phosphodiesterase 4A   118 aa 112 aa 28.6 %
Candida albicans similar to a group of Candida orfs that show weak similarity to Leucine-rich repeat viral proteins Phosphodiesterase 4A   118 aa 97 aa 26.8 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Loa Loa (eye worm) cyclic AMP specific phosphodiesterase PDE4D5A 0.0196 0.0676 0.7684
Schistosoma mansoni aldehyde dehydrogenase 0.0065 0.0147 0.2155
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.0196 0.0676 0.7684
Echinococcus granulosus FTZ F1 alpha 0.003 0.0006 0.0052
Loa Loa (eye worm) hypothetical protein 0.003 0.0006 0.0052
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0082 0.0215 0.5
Mycobacterium ulcerans aldehyde dehydrogenase 0.0065 0.0147 0.0109
Trypanosoma brucei hypothetical protein, conserved 0.0038 0.0038 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0065 0.0147 0.0109
Loa Loa (eye worm) hypothetical protein 0.0038 0.0038 0.042
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0134 0.0425 0.4829
Echinococcus granulosus beta LACTamase domain containing family member 0.0038 0.0038 0.042
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.005 0.0089 0.1004
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0038 0.0038 0.042
Echinococcus multilocularis peptidase Clp (S14 family) 0.0053 0.0102 0.1149
Brugia malayi Nuclear hormone receptor family member nhr-19 0.003 0.0006 0.0052
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.003 0.0006 0.0052
Echinococcus granulosus nuclear receptor 2DBD gamma 0.003 0.0006 0.0052
Loa Loa (eye worm) hypothetical protein 0.0196 0.0676 0.7684
Schistosoma mansoni retinoid-x-receptor (RXR) 0.003 0.0006 0.0068
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0053 0.0102 0.0064
Brugia malayi TAR-binding protein 0.0066 0.0153 0.1726
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.003 0.0006 0.0052
Onchocerca volvulus 0.0038 0.0038 0.3859
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.003 0.0006 0.0052
Toxoplasma gondii ATP-citrate lyase, putative 0.0142 0.0457 0.6765
Loa Loa (eye worm) hypothetical protein 0.003 0.0006 0.0052
Echinococcus granulosus peptidase Clp S14 family 0.0053 0.0102 0.1149
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.003 0.0006 0.0052
Brugia malayi RNA binding protein 0.0066 0.0153 0.1726
Schistosoma mansoni ATP-citrate synthase 0.0124 0.0387 0.5723
Toxoplasma gondii hypothetical protein 0.0028 0.0001 0.0018
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.003 0.0006 0.0068
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0038 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0082 0.0215 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.003 0.0006 0.0052
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0038 0.5
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0153 0.2247
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0196 0.0676 0.7684
Loa Loa (eye worm) hypothetical protein 0.003 0.0006 0.0052
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0038 1
Loa Loa (eye worm) steroid hormone receptor 0.003 0.0006 0.0052
Brugia malayi hypothetical protein 0.0247 0.0879 1
Brugia malayi beta-lactamase 0.0038 0.0038 0.042
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0196 0.0676 1
Echinococcus multilocularis ecdysone induced protein 78C 0.003 0.0006 0.0052
Brugia malayi Nuclear hormone receptor family member nhr-25 0.003 0.0006 0.0052
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0153 0.2247
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.003 0.0006 0.0052
Echinococcus multilocularis beta LACTamase domain containing family member 0.0038 0.0038 0.042
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.003 0.0006 0.0052
Loa Loa (eye worm) TAR-binding protein 0.0066 0.0153 0.1726
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0038 0.5
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0082 0.0215 0.3182
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0196 0.0676 0.7684
Mycobacterium tuberculosis Possible penicillin-binding protein 0.024 0.0852 0.0817
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0153 0.2247
Echinococcus multilocularis survival motor neuron protein 1 0.0247 0.0879 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.003 0.0006 0.0052
Loa Loa (eye worm) beta-lactamase 0.0038 0.0038 0.042
Brugia malayi steroid hormone receptor 0.003 0.0006 0.0052
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.003 0.0006 0.0052
Mycobacterium ulcerans 3-dehydroquinate dehydratase 0.2514 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.003 0.0006 0.0052
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0038 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.003 0.0006 0.0052
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.003 0.0006 0.0068
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0038 0.5
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.003 0.0006 0.0052
Echinococcus multilocularis FTZ F1 alpha 0.003 0.0006 0.0052
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0196 0.0676 0.7684
Brugia malayi beta-lactamase family protein 0.0038 0.0038 0.042
Brugia malayi Nuclear hormone receptor family member nhr-31 0.003 0.0006 0.0052
Onchocerca volvulus 0.0038 0.0038 0.3859
Brugia malayi nuclear hormone receptor 0.003 0.0006 0.0052
Schistosoma mansoni RAR-like nuclear receptor 0.003 0.0006 0.0068
Schistosoma mansoni hypothetical protein 0.0177 0.0598 0.8846
Mycobacterium leprae conserved hypothetical protein 0.0038 0.0038 0.0038
Loa Loa (eye worm) hypothetical protein 0.0038 0.0038 0.042
Brugia malayi RNA recognition motif domain containing protein 0.0066 0.0153 0.1726
Mycobacterium tuberculosis 3-dehydroquinate dehydratase AroD (AROQ) (3-dehydroquinase) (type II dhqase) 0.2514 1 1
Brugia malayi ATP-citrate synthase 0.0142 0.0457 0.5194
Echinococcus granulosus geminin 0.0177 0.0598 0.6797
Loa Loa (eye worm) hypothetical protein 0.003 0.0006 0.0052
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0082 0.0215 0.5
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0196 0.0676 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0038 0.0546
Schistosoma mansoni Tr4/Tr2 (homologue) 0.003 0.0006 0.0068
Echinococcus granulosus tar DNA binding protein 0.0066 0.0153 0.1726
Schistosoma mansoni nuclear hormone receptor 0.003 0.0006 0.0068
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0082 0.0215 0.5
Mycobacterium ulcerans aldehyde dehydrogenase 0.0065 0.0147 0.0109
Loa Loa (eye worm) hypothetical protein 0.003 0.0006 0.0052
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0082 0.0215 0.2436
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0153 0.2247
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0065 0.0147 0.1656
Loa Loa (eye worm) hypothetical protein 0.003 0.0006 0.0052
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.003 0.0006 0.0052
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0196 0.0676 0.7684
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0082 0.0215 0.0215
Loa Loa (eye worm) hypothetical protein 0.003 0.0006 0.0052
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.003 0.0006 0.0052
Loa Loa (eye worm) hypothetical protein 0.0038 0.0038 0.042
Loa Loa (eye worm) hypothetical protein 0.003 0.0006 0.0052
Echinococcus multilocularis geminin 0.0177 0.0598 0.6797
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.003 0.0006 0.0052
Schistosoma mansoni hypothetical protein 0.0134 0.0425 0.6285
Toxoplasma gondii aldehyde dehydrogenase 0.0065 0.0147 0.2169
Schistosoma mansoni aldehyde dehydrogenase 0.0065 0.0147 0.2155
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0082 0.0215 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.003 0.0006 0.0068
Schistosoma mansoni retinoic acid receptor RXR 0.003 0.0006 0.0068
Plasmodium falciparum carbonic anhydrase 0.0028 0.0001 0.0055
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0242 0.0859 0.9768
Echinococcus granulosus nuclear receptor 2DBD gamma 0.003 0.0006 0.0052
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0065 0.0147 0.0109
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0053 0.0102 0.0064
Echinococcus granulosus survival motor neuron protein 1 0.0247 0.0879 1
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.0196 0.0676 0.5
Brugia malayi photoreceptor-specific nuclear receptor 0.003 0.0006 0.0052
Brugia malayi Steroid receptor seven-up type 2 0.003 0.0006 0.0052
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0082 0.0215 0.0178
Leishmania major hypothetical protein, conserved 0.0038 0.0038 0.2534
Loa Loa (eye worm) RNA binding protein 0.0066 0.0153 0.1726
Trichomonas vaginalis esterase, putative 0.0038 0.0038 0.5
Echinococcus granulosus retinoic acid receptor rxr beta a 0.003 0.0006 0.0052
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0066 0.0153 0.1726
Schistosoma mansoni hypothetical protein 0.0177 0.0598 0.8846
Brugia malayi beta-lactamase family protein 0.0038 0.0038 0.042
Schistosoma mansoni survival motor neuron protein 0.005 0.0089 0.1307
Echinococcus granulosus ecdysone induced protein 78C 0.003 0.0006 0.0052
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0065 0.0147 0.1656
Schistosoma mansoni thyroid hormone receptor 0.0163 0.0544 0.8046
Brugia malayi Nuclear hormone receptor family member nhr-49 0.003 0.0006 0.0052
Toxoplasma gondii ABC1 family protein 0.0038 0.0038 0.0563
Loa Loa (eye worm) hypothetical protein 0.0038 0.0038 0.042
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.003 0.0006 0.0052
Brugia malayi Nuclear hormone receptor family member nhr-40 0.003 0.0006 0.0052
Schistosoma mansoni peptidase Clp (S14 family) 0.0082 0.0215 0.317
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0082 0.0215 0.0178
Schistosoma mansoni hypothetical protein 0.005 0.0089 0.1307
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0038 0.0038 0.042
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0082 0.0215 0.3182
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.003 0.0006 0.0052
Brugia malayi Nuclear hormone receptor-like 1 0.003 0.0006 0.0052
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0082 0.0215 1
Mycobacterium leprae Probable lipase LipE 0.0038 0.0038 0.0038
Brugia malayi Nuclear hormone receptor family member nhr-25 0.003 0.0006 0.0052
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0082 0.0215 0.2436
Onchocerca volvulus 0.0038 0.0038 0.3859
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.003 0.0006 0.0052
Loa Loa (eye worm) hypothetical protein 0.0038 0.0038 0.042
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0038 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.003 0.0006 0.0052
Brugia malayi nuclear receptor NHR-88 0.003 0.0006 0.0052
Loa Loa (eye worm) hypothetical protein 0.0247 0.0879 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0038 0.0546
Echinococcus multilocularis tar DNA binding protein 0.0066 0.0153 0.1726
Schistosoma mansoni thyroid hormone receptor 0.0163 0.0544 0.8046
Brugia malayi follicle stimulating hormone receptor 0.0242 0.0859 0.9768
Loa Loa (eye worm) hypothetical protein 0.0082 0.0215 0.2436
Brugia malayi Nuclear hormone receptor family member nhr-41 0.003 0.0006 0.0052
Loa Loa (eye worm) hypothetical protein 0.0038 0.0038 0.042
Brugia malayi Probable ClpP-like protease 0.0082 0.0215 0.2436
Echinococcus multilocularis thyroid hormone receptor alpha 0.0163 0.0544 0.6183
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0065 0.0147 1
Schistosoma mansoni coup transcription factor 0.003 0.0006 0.0068
Brugia malayi Nuclear hormone receptor family member nhr-19 0.003 0.0006 0.0052
Loa Loa (eye worm) ATP-citrate synthase 0.0142 0.0457 0.5194
Brugia malayi ecdysteroid receptor 0.003 0.0006 0.0052
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0134 0.0425 0.4829
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.003 0.0006 0.0068
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0196 0.0676 0.7684
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.003 0.0006 0.0052
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0053 0.0102 0.0102
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.003 0.0006 0.0052
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0153 0.2247
Onchocerca volvulus 0.005 0.0089 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.003 0.0006 0.0052
Schistosoma mansoni steroid hormone receptor ad4bp 0.003 0.0006 0.0068
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0196 0.0676 0.7684
Plasmodium vivax hypothetical protein, conserved 0.0038 0.0038 0.1768

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.3 uM Inhibitory potency against pig aortic PDE IV ChEMBL. 8201604
IC50 (binding) = 0.3 uM Inhibitory potency against pig aortic PDE IV ChEMBL. 8201604

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.