Detailed information for compound 26045

Basic information

Technical information
  • TDR Targets ID: 26045
  • Name: 4-[4-methoxy-3-[(2S)-5-phenylpentan-2-yl]oxyp henyl]benzamide
  • MW: 389.487 | Formula: C25H27NO3
  • H donors: 1 H acceptors: 1 LogP: 5.47 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1O[C@H](CCCc1ccccc1)C)c1ccc(cc1)C(=O)N
  • InChi: 1S/C25H27NO3/c1-18(7-6-10-19-8-4-3-5-9-19)29-24-17-22(15-16-23(24)28-2)20-11-13-21(14-12-20)25(26)27/h3-5,8-9,11-18H,6-7,10H2,1-2H3,(H2,26,27)/t18-/m0/s1
  • InChiKey: DWCZVIDAHQREEV-SFHVURJKSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[4-methoxy-3-[(1S)-1-methyl-4-phenyl-butoxy]phenyl]benzamide
  • 4-[4-methoxy-3-[(1S)-1-methyl-4-phenylbutoxy]phenyl]benzamide
  • 4-[4-methoxy-3-[(2S)-5-phenylpentan-2-yl]oxy-phenyl]benzamide

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Trichomonas vaginalis glutaminase, putative 0.0582 1 1
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0061 0.0727 0.0958
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0061 0.0727 0.0633
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0447 0.7589 1
Loa Loa (eye worm) hypothetical protein 0.0081 0.1084 0.1066
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0061 0.0721 0.095
Schistosoma mansoni thyroid hormone receptor 0.0145 0.2211 0.2211
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0061 0.0727 0.0958
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase 0.0054 0.06 0.06
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0247 0.4031 0.4019
Trypanosoma cruzi cAMP phosphodiesterase A, putative 0.0054 0.06 0.5
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.0054 0.06 0.06
Schistosoma mansoni hypothetical protein 0.0022 0.002 0.002
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0447 0.7589 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0081 0.1084 0.1428
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.0056 0.0056
Brugia malayi jmjC domain containing protein 0.0063 0.0755 0.0661
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0065 0.0789 1
Toxoplasma gondii aldehyde dehydrogenase 0.0065 0.0789 0.027
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0063 0.0763 0.0763
Schistosoma mansoni aldehyde dehydrogenase 0.0065 0.0789 0.0789
Schistosoma mansoni cgmp-dependent 35-cyclic phosphodiesterase 0.0054 0.06 0.06
Schistosoma mansoni jumonji/arid domain-containing protein 0.0065 0.0791 0.0791
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase 0.0054 0.06 0.0791
Brugia malayi Bromodomain containing protein 0.0079 0.1044 0.0953
Plasmodium falciparum 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0054 0.06 0.5
Loa Loa (eye worm) hypothetical protein 0.0054 0.06 0.0581
Loa Loa (eye worm) PDE1B protein 0.0054 0.06 0.0581
Brugia malayi Pre-SET motif family protein 0.0063 0.0763 0.0669
Echinococcus granulosus dual 3'5' cyclic AMP and GMP phosphodiesterase 0.0054 0.06 0.0791
Brugia malayi Probable 3',5'-cyclic phosphodiesterase T04D3.3, putative 0.0054 0.06 0.0505
Onchocerca volvulus 0.016 0.2477 0.2185
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0054 0.06 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0247 0.4031 0.397
Trypanosoma cruzi hypothetical protein, conserved 0.0054 0.06 0.5
Mycobacterium ulcerans aldehyde dehydrogenase 0.0065 0.0789 0.0067
Plasmodium vivax SET domain protein, putative 0.0063 0.0763 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0065 0.0791 0.0772
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0054 0.06 0.5
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.0056 0.0074
Loa Loa (eye worm) hypothetical protein 0.0045 0.0434 0.0415
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.0447 0.7589 1
Onchocerca volvulus 0.0504 0.8608 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0399 0.0379
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.0054 0.06 0.0791
Plasmodium falciparum cGMP-specific phosphodiesterase 0.0054 0.06 0.5
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0054 0.06 0.06
Schistosoma mansoni bromodomain containing protein 0.0067 0.0823 0.0823
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0054 0.06 0.5
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.0054 0.06 0.0791
Plasmodium falciparum cGMP-specific phosphodiesterase 0.0054 0.06 0.5
Schistosoma mansoni aldehyde dehydrogenase 0.0065 0.0789 0.0789
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.0054 0.06 0.0791
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0081 0.1084 0.1084
Echinococcus multilocularis cAMP and cAMP inhibited cGMP 3',5' cyclic 0.0054 0.06 0.0791
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0392 0.6621 0.8724
Trypanosoma cruzi cyclic nucleotide phosphodiesterase 0.0054 0.06 0.5
Loa Loa (eye worm) calcium/calmodulin-stimulated cyclic nucleotide phosphodiesterase 0.0054 0.06 0.0581
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0054 0.06 0.06
Schistosoma mansoni hypothetical protein 0.0055 0.0619 0.0619
Mycobacterium ulcerans aldehyde dehydrogenase 0.0065 0.0789 0.0067
Trypanosoma brucei hypothetical protein, conserved 0.0054 0.06 0.5
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0443 0.7518 0.7513
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0038 0.0308 0.0406
Schistosoma mansoni hypothetical protein 0.0125 0.1855 0.1855
Echinococcus multilocularis thyroid hormone receptor alpha 0.0145 0.2211 0.2914
Loa Loa (eye worm) hypothetical protein 0.016 0.2477 0.2462
Echinococcus granulosus high affinity cAMP specific 3'5' cyclic 0.0054 0.06 0.0791
Schistosoma mansoni jumonji domain containing protein 0.0063 0.0755 0.0755
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0081 0.1084 0.1084
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0054 0.06 0.06
Trichomonas vaginalis set domain proteins, putative 0.0504 0.8608 0.8519
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.0054 0.06 0.0791
Mycobacterium ulcerans aldehyde dehydrogenase 0.0065 0.0789 0.0067
Loa Loa (eye worm) hypothetical protein 0.0246 0.401 0.3999
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0054 0.06 0.0505
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0063 0.0755 0.0994
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0392 0.6621 0.8724
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0061 0.0727 0.0727
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0063 0.0756 0.0996
Brugia malayi Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative 0.0054 0.06 0.0505
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0061 0.0727 0.672
Plasmodium falciparum phosphodiesterase delta, putative 0.0054 0.06 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0054 0.06 0.5
Trypanosoma brucei 3', 5'-cyclic nucleotide phosphodiesterase, putative 0.0054 0.06 0.5
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0125 0.1855 0.2444
Trypanosoma brucei 3', 5'-cyclic nucleotide phosphodiesterase, putative 0.0054 0.06 0.5
Echinococcus multilocularis lysine specific demethylase 5A 0.0063 0.0755 0.0994
Plasmodium falciparum phosphodiesterase gamma, putative 0.0054 0.06 0.5
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0065 0.0789 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0063 0.0755 0.0994
Echinococcus granulosus cAMP and cAMP inhibited cGMP 3'5' cyclic 0.0054 0.06 0.0791
Loa Loa (eye worm) hypothetical protein 0.0447 0.7589 0.7585
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0063 0.0763 0.0233
Brugia malayi Pre-SET motif family protein 0.0443 0.7518 0.7493
Schistosoma mansoni glutaminase 0.0582 1 1
Trypanosoma brucei cAMP-specific phosphodiesterase, putative 0.0054 0.06 0.5
Echinococcus multilocularis high affinity cAMP specific 3',5' cyclic 0.0054 0.06 0.0791
Echinococcus granulosus lysine specific demethylase 5A 0.0065 0.0791 0.1042
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0447 0.7589 0.7589
Trypanosoma brucei cAMP phosphodiesterase A, putative 0.0054 0.06 0.5
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0054 0.06 0.0505
Schistosoma mansoni jumonji/arid domain-containing protein 0.0065 0.0791 0.0791
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0063 0.0763 0.1005
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0125 0.1855 0.2444
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0057 0.0653 0.0634
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.0054 0.06 0.0505
Trypanosoma cruzi hypothetical protein, conserved 0.0054 0.06 0.5
Schistosoma mansoni thyroid hormone receptor 0.0145 0.2211 0.2211
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0054 0.06 0.5
Trypanosoma cruzi cAMP phosphodiesterase A, putative 0.0054 0.06 0.5
Mycobacterium ulcerans glutaminase 0.0582 1 1
Schistosoma mansoni calcium/calmodulin-dependent 35-cyclic nucleotide phosphodiesterase 0.0054 0.06 0.06
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.0054 0.06 0.06
Plasmodium falciparum 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0054 0.06 0.5
Brugia malayi jmjC domain containing protein 0.0065 0.0791 0.0697
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0054 0.06 0.0505
Brugia malayi glutaminase DH11.1 0.0582 1 1
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0447 0.7589 1
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0447 0.7589 1
Echinococcus granulosus high affinity cgmp specific 3' 5' cyclic 0.0054 0.06 0.0791
Echinococcus granulosus histone lysine methyltransferase setb 0.0081 0.1084 0.1428
Echinococcus multilocularis high affinity cgmp specific 3' 5' cyclic 0.0054 0.06 0.0791
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0063 0.0756 0.0996
Schistosoma mansoni camp-specific cyclic nucleotide phosphodiesterase 0.0054 0.06 0.06
Brugia malayi Bromodomain containing protein 0.004 0.0353 0.0255
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0065 0.0789 0.1039
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.0054 0.06 0.06
Loa Loa (eye worm) cyclic AMP specific phosphodiesterase PDE4D5A 0.0392 0.6621 0.6614
Trypanosoma cruzi hypothetical protein, conserved 0.0054 0.06 0.5
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0065 0.0789 0.1039
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.0056 0.0074
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0447 0.7589 1
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0054 0.06 0.5
Loa Loa (eye worm) hypothetical protein 0.0075 0.0963 0.0945
Brugia malayi hypothetical protein 0.016 0.2477 0.2401
Brugia malayi Nuclear hormone receptor-like 1 0.0247 0.4031 0.397
Loa Loa (eye worm) hypothetical protein 0.0054 0.06 0.0581
Trypanosoma cruzi cAMP-specific phosphodiesterase, putative 0.0054 0.06 0.5
Loa Loa (eye worm) glutaminase 0.0582 1 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0063 0.0763 0.0763
Brugia malayi Nuclear hormone receptor-like 1 0.0256 0.4199 0.414
Loa Loa (eye worm) hypothetical protein 0.0054 0.06 0.0581
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0038 0.0308 0.0406
Trypanosoma cruzi hypothetical protein, conserved 0.0054 0.06 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0.0354 0.0335
Trypanosoma cruzi hypothetical protein, conserved 0.0054 0.06 0.5
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.0392 0.6621 0.6586
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0054 0.06 0.5

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 24 % Inhibition of Phosphodiesterase 4 at 100 uM ChEMBL. 8568798
Inhibition (binding) = 24 % Inhibition of Phosphodiesterase 4 at 100 uM ChEMBL. 8568798
Inhibition (binding) = 41 % Displacement of [3H]-rolipram from mouse brain homogenates at 100 uM ChEMBL. 8568798
Inhibition (binding) = 41 % Displacement of [3H]-rolipram from mouse brain homogenates at 100 uM ChEMBL. 8568798

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.

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