Detailed information for compound 1709146

Basic information

Technical information
  • TDR Targets ID: 1709146
  • Name: [2-[di(phenyl)methylamino]-2-oxoethyl] 4-hydr oxybenzoate
  • MW: 361.391 | Formula: C22H19NO4
  • H donors: 2 H acceptors: 3 LogP: 3.95 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NC(c1ccccc1)c1ccccc1)COC(=O)c1ccc(cc1)O
  • InChi: 1S/C22H19NO4/c24-19-13-11-18(12-14-19)22(26)27-15-20(25)23-21(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,21,24H,15H2,(H,23,25)
  • InChiKey: ZCLRYBBVYJEBDX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [2-[di(phenyl)methylamino]-2-oxo-ethyl] 4-hydroxybenzoate
  • 4-hydroxybenzoic acid [2-[di(phenyl)methylamino]-2-oxoethyl] ester
  • 4-hydroxybenzoic acid [2-[di(phenyl)methylamino]-2-keto-ethyl] ester
  • Oprea1_592312
  • ZINC03234707
  • Enamine_002540
  • IDI1_006887

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
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 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major hypothetical protein, conserved 0.003 0.007 0.5
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0111 0.1066 0.1789
Echinococcus granulosus histone acetyltransferase myst3 0.004 0.0184 0.0309
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0144 0.1474 0.1474
Echinococcus multilocularis tumor suppressor p53 binding protein 1 0.0318 0.3627 0.6087
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0374 0.4319 0.4319
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0026 0.0019 0.0032
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.007 0.2038
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0093 0.0846 0.142
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0042 0.0218 0.5
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.007 0.3108
Brugia malayi jmjC domain containing protein 0.0133 0.1341 0.2584
Schistosoma mansoni jumonji/arid domain-containing protein 0.0091 0.0813 0.0813
Plasmodium falciparum histone acetyltransferase GCN5 0.0039 0.0174 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0377 0.0632
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0031 0.0083 0.3694
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0042 0.0218 0.9786
Echinococcus multilocularis polycomb protein SCMH1 0.0259 0.2888 0.4846
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0438 0.0844
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0438 0.081
Echinococcus granulosus SAM and MBT domain containing protein 0.0374 0.4319 0.7248
Schistosoma mansoni chromobox protein 0.0192 0.2063 0.2063
Schistosoma mansoni hypothetical protein 0.0041 0.0203 0.0203
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0507 0.5958 1
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0093 0.0846 0.1631
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0377 0.0377
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.007 0.5
Echinococcus multilocularis chromobox protein 2 0.0192 0.2063 0.3462
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0144 0.1474 0.2473
Schistosoma mansoni sex comb on midleg homolog 0.0259 0.2888 0.2888
Echinococcus granulosus lysine specific demethylase 5A 0.0091 0.0813 0.1364
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0203 0.0391
Loa Loa (eye worm) hypothetical protein 0.003 0.007 0.0099
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0377 0.0377
Echinococcus granulosus histone acetyltransferase MYST2 0.0093 0.0846 0.142
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.007 0.2038
Echinococcus multilocularis neuropeptide receptor A26 0.0406 0.4712 0.7908
Loa Loa (eye worm) hypothetical protein 0.0041 0.0203 0.0355
Echinococcus granulosus tumor suppressor p53 binding protein 1 0.0318 0.3627 0.6087
Loa Loa (eye worm) MBCTL1 0.0093 0.0846 0.16
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0377 0.0632
Trichomonas vaginalis bromodomain-containing protein, putative 0.0042 0.0218 0.5
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0042 0.0218 0.9786
Echinococcus granulosus neuropeptide s receptor 0.0406 0.4712 0.7908
Loa Loa (eye worm) acetyltransferase 0.0144 0.1474 0.2814
Loa Loa (eye worm) mbt repeat family protein 0.0269 0.3017 0.58
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0377 0.0726
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0377 0.0632
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.007 0.1527
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0111 0.1066 0.1789
Loa Loa (eye worm) hypothetical protein 0.006 0.0438 0.081
Echinococcus multilocularis histone acetyltransferase myst3 0.004 0.0184 0.0309
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0377 0.0377
Schistosoma mansoni myelin transcription factor 1 myt1 0.0093 0.0846 0.0846
Schistosoma mansoni sex comb on midleg homolog 0.0259 0.2888 0.2888
Entamoeba histolytica acetyltransferase, GNAT family 0.0039 0.0174 0.5
Brugia malayi hypothetical protein 0.003 0.007 0.0136
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0438 0.0844
Brugia malayi acetyltransferase, GNAT family protein 0.0144 0.1474 0.2841
Echinococcus multilocularis SAM and MBT domain containing protein 0.0374 0.4319 0.7248
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.007 0.5
Echinococcus granulosus polycomb protein SCMH1 0.0259 0.2888 0.4846
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0026 0.0019 0.0032
Echinococcus multilocularis lysine specific demethylase 5A 0.0075 0.0626 0.1051
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0445 0.5188 1
Echinococcus multilocularis histone acetyltransferase MYST2 0.0093 0.0846 0.142
Loa Loa (eye worm) hypothetical protein 0.0093 0.0846 0.16
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0042 0.0218 1
Brugia malayi CHD4 protein 0.0026 0.0019 0.0037
Loa Loa (eye worm) jmjC domain-containing protein 0.0133 0.1341 0.2556
Schistosoma mansoni phd finger protein 0.004 0.0184 0.0184
Toxoplasma gondii PLU-1 family protein 0.0043 0.0222 1
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.007 0.5
Schistosoma mansoni jumonji/arid domain-containing protein 0.0091 0.0813 0.0813
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0026 0.0019 0.0019
Echinococcus granulosus chromobox protein 2 0.0192 0.2063 0.3462
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0093 0.0846 0.142
Brugia malayi mbt repeat family protein 0.0445 0.5188 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0042 0.0218 0.0365
Loa Loa (eye worm) hypothetical protein 0.0445 0.5188 1
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0507 0.5958 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0377 0.0692
Echinococcus granulosus neuropeptide receptor A26 0.0406 0.4712 0.7908
Giardia lamblia Histone acetyltransferase GCN5 0.0039 0.0174 0.5
Schistosoma mansoni hypothetical protein 0.0318 0.3627 0.3627
Echinococcus multilocularis neuropeptide s receptor 0.0406 0.4712 0.7908
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0377 0.0632
Echinococcus granulosus histone acetyltransferase KAT2B 0.014 0.1424 0.2389
Brugia malayi mbt repeat family protein 0.0269 0.3017 0.5816

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0067 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 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

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.

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