Detailed information for compound 576704

Basic information

Technical information
  • TDR Targets ID: 576704
  • Name: 2-[2-(4-benzhydryl-1-piperidyl)-2-oxo-ethoxy] acetic acid
  • MW: 367.438 | Formula: C22H25NO4
  • H donors: 1 H acceptors: 3 LogP: 3.36 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1CCC(CC1)C(c1ccccc1)c1ccccc1)COCC(=O)O
  • InChi: 1S/C22H25NO4/c24-20(15-27-16-21(25)26)23-13-11-19(12-14-23)22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19,22H,11-16H2,(H,25,26)
  • InChiKey: ZMYIPQJVDWOHNA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[2-(4-benzhydryl-1-piperidinyl)-2-oxoethoxy]acetic acid
  • 2-[2-(4-benzhydrylpiperidin-1-yl)-2-oxo-ethoxy]ethanoic acid
  • 2-[2-(4-benzhydrylpiperidino)-2-keto-ethoxy]acetic acid
  • 2-[2-(4-benzhydrylpiperidin-1-yl)-2-oxoethoxy]acetic acid
  • McN 4308
  • 2-[2-[4-[di(phenyl)methyl]piperidin-1-yl]-2-oxoethoxy]acetic acid
  • 2-[2-[4-[di(phenyl)methyl]-1-piperidyl]-2-oxo-ethoxy]acetic acid
  • 2-[2-[4-[di(phenyl)methyl]-1-piperidinyl]-2-oxoethoxy]acetic acid
  • 2-[2-[4-[di(phenyl)methyl]-1-piperidyl]-2-keto-ethoxy]acetic acid
  • 2-[2-[4-[di(phenyl)methyl]piperidin-1-yl]-2-oxo-ethoxy]ethanoic acid
  • 66619-75-8
  • Acetic acid, (2-(4-(diphenylmethyl)-1-piperidinyl)-2-oxoethoxy)-
  • Mcn-4308

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
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0061 0.1441 0.1441
Toxoplasma gondii cathepsin B 0.0044 0.0853 1
Loa Loa (eye worm) hypothetical protein 0.0305 1 1
Schistosoma mansoni sex comb on midleg homolog 0.0049 0.101 0.104
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0192 0.6049 0.6049
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0134 0.4014 0.4133
Loa Loa (eye worm) hypothetical protein 0.0305 1 1
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0107 0.0107
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0141 0.4234 0.4234
Echinococcus granulosus histone acetyltransferase MYST2 0.0056 0.1247 0.1247
Brugia malayi MH2 domain containing protein 0.0122 0.3563 0.3437
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0134 0.4014 0.4133
Brugia malayi Calcitonin receptor-like protein seb-1 0.0103 0.2896 0.2758
Loa Loa (eye worm) hypothetical protein 0.0134 0.4014 0.3991
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0066 0.1611 0.1579
Brugia malayi Bromodomain containing protein 0.0039 0.0673 0.049
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0211 0.5
Schistosoma mansoni bromodomain containing protein 0.0065 0.157 0.1616
Schistosoma mansoni hypothetical protein 0.0173 0.5352 0.551
Schistosoma mansoni hypothetical protein 0.0032 0.0436 0.0449
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0141 0.4234 0.4359
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.0436 0.0436
Echinococcus multilocularis muscleblind protein 1 0.0305 1 1
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0192 0.6049 0.6049
Echinococcus granulosus muscleblind protein 0.0305 1 1
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0436 0.0249
Echinococcus multilocularis muscleblind protein 0.0305 1 1
Schistosoma mansoni sex comb on midleg homolog 0.0049 0.101 0.104
Giardia lamblia Cathepsin B precursor 0.0044 0.0853 0.5
Schistosoma mansoni tar DNA-binding protein 0.0066 0.1611 0.1658
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0049 0.101 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0141 0.4234 0.4359
Brugia malayi TAR-binding protein 0.0066 0.1611 0.1447
Echinococcus multilocularis SAM and MBT domain containing protein 0.0049 0.101 0.101
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.0436 0.0436
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0044 0.0853 0.5
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0056 0.1247 0.1247
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.0436 0.0436
Loa Loa (eye worm) TAR-binding protein 0.0066 0.1611 0.1579
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0141 0.4234 0.4234
Schistosoma mansoni myelin transcription factor 1 myt1 0.0056 0.1247 0.1284
Loa Loa (eye worm) hypothetical protein 0.007 0.1757 0.1726
Echinococcus granulosus cathepsin b 0.0134 0.4014 0.4014
Schistosoma mansoni tar DNA-binding protein 0.0066 0.1611 0.1658
Schistosoma mansoni hypothetical protein 0.0297 0.9712 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0103 0.2896 0.2758
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0436 0.0399
Brugia malayi mbt repeat family protein 0.0049 0.101 0.0835
Echinococcus granulosus SAM and MBT domain containing protein 0.0049 0.101 0.101
Brugia malayi cathepsin B-like cysteine proteinase 0.0134 0.4014 0.3897
Schistosoma mansoni hypothetical protein 0.0032 0.0436 0.0449
Schistosoma mansoni tar DNA-binding protein 0.0066 0.1611 0.1658
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0037 0.0587 0.0587
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0044 0.0853 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0436 0.0249
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0134 0.4014 1
Loa Loa (eye worm) cathepsin B 0.0044 0.0853 0.0819
Echinococcus multilocularis geminin 0.0173 0.5352 0.5352
Echinococcus granulosus polycomb protein SCMH1 0.0049 0.101 0.101
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0141 0.4234 0.4359
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0044 0.0853 0.0879
Schistosoma mansoni hypothetical protein 0.0021 0.0038 0.0039
Loa Loa (eye worm) RNA binding protein 0.0066 0.1611 0.1579
Echinococcus granulosus cathepsin b 0.0134 0.4014 0.4014
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0107 0.0107
Echinococcus multilocularis cathepsin b 0.0134 0.4014 0.4014
Echinococcus multilocularis histone acetyltransferase MYST2 0.0056 0.1247 0.1247
Loa Loa (eye worm) hypothetical protein 0.0032 0.0436 0.0399
Brugia malayi Bromodomain containing protein 0.0077 0.1991 0.1834
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0103 0.2896 0.2869
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0141 0.4234 0.4121
Echinococcus granulosus tar DNA binding protein 0.0066 0.1611 0.1611
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0211 0.5
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0044 0.0853 0.1688
Loa Loa (eye worm) hypothetical protein 0.0049 0.101 0.0976
Brugia malayi mbt repeat family protein 0.0049 0.101 0.0835
Onchocerca volvulus 0.0049 0.101 0.5
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0056 0.1247 0.1076
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0049 0.101 0.104
Schistosoma mansoni hypothetical protein 0.0032 0.0436 0.0449
Echinococcus granulosus GPCR family 2 0.0032 0.0436 0.0436
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0037 0.0587 0.0587
Echinococcus multilocularis GPCR, family 2 0.0032 0.0436 0.0436
Brugia malayi latrophilin 2 splice variant baaae 0.007 0.1757 0.1596
Echinococcus multilocularis polycomb protein SCMH1 0.0049 0.101 0.101
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0141 0.4234 0.4234
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0134 0.4014 0.4133
Loa Loa (eye worm) MBCTL1 0.0056 0.1247 0.1214
Loa Loa (eye worm) hypothetical protein 0.0042 0.076 0.0725
Trypanosoma brucei cysteine peptidase C (CPC) 0.0044 0.0853 1
Schistosoma mansoni hypothetical protein 0.0173 0.5352 0.551
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0134 0.4014 0.4133
Loa Loa (eye worm) hypothetical protein 0.0026 0.0211 0.0174
Schistosoma mansoni hypothetical protein 0.007 0.1757 0.1809
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0107 0.011
Echinococcus multilocularis tar DNA binding protein 0.0066 0.1611 0.1611
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0211 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0141 0.4234 0.4234
Brugia malayi RNA recognition motif domain containing protein 0.0066 0.1611 0.1447
Giardia lamblia Cathepsin B precursor 0.0044 0.0853 0.5
Giardia lamblia Cathepsin B precursor 0.0044 0.0853 0.5
Loa Loa (eye worm) hypothetical protein 0.0072 0.1837 0.1806
Brugia malayi hypothetical protein 0.0026 0.0211 0.002
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0061 0.1441 0.1441
Loa Loa (eye worm) hypothetical protein 0.0039 0.0675 0.064
Schistosoma mansoni tar DNA-binding protein 0.0066 0.1611 0.1658
Brugia malayi RNA binding protein 0.0066 0.1611 0.1447
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.0436 0.0436
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0056 0.1247 0.1247
Loa Loa (eye worm) transcription factor SMAD2 0.0122 0.3563 0.3538
Schistosoma mansoni tar DNA-binding protein 0.0066 0.1611 0.1658
Loa Loa (eye worm) hypothetical protein 0.0044 0.0829 0.0794
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0141 0.4234 0.4212
Loa Loa (eye worm) hypothetical protein 0.0103 0.2896 0.2869
Loa Loa (eye worm) MH2 domain-containing protein 0.0122 0.3563 0.3538
Echinococcus granulosus geminin 0.0173 0.5352 0.5352
Schistosoma mansoni hypothetical protein 0.0032 0.0436 0.0449
Echinococcus multilocularis cathepsin b 0.0134 0.4014 0.4014
Loa Loa (eye worm) hypothetical protein 0.0056 0.1247 0.1214
Loa Loa (eye worm) mbt repeat family protein 0.0049 0.101 0.0976

Activities

No activities found for this compound.

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

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.