Detailed information for compound 1887592

Basic information

Technical information
  • TDR Targets ID: 1887592
  • Name: N-[[2-hydroxy-1,2-di(phenyl)ethylidene]amino] acetamide
  • MW: 268.31 | Formula: C16H16N2O2
  • H donors: 2 H acceptors: 2 LogP: 2.44 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)N/N=C(\C(c1ccccc1)O)/c1ccccc1
  • InChi: 1S/C16H16N2O2/c1-12(19)17-18-15(13-8-4-2-5-9-13)16(20)14-10-6-3-7-11-14/h2-11,16,20H,1H3,(H,17,19)/b18-15-
  • InChiKey: KCJTYKLQLRXRTM-SDXDJHTJSA-N  

Network

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Synonyms

  • N-[[2-hydroxy-1,2-di(phenyl)ethylidene]amino]ethanamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens EYA transcriptional coactivator and phosphatase 2 Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni eyes absent homolog Get druggable targets OG5_129664 All targets in OG5_129664
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129664 All targets in OG5_129664
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129664 All targets in OG5_129664
Brugia malayi hypothetical protein Get druggable targets OG5_129664 All targets in OG5_129664
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Schistosoma japonicum ko:K01104 protein-tyrosine phosphatase [EC3.1.3.48], putative Get druggable targets OG5_129664 All targets in OG5_129664

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Onchocerca volvulus 0.0043 0.0793 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.0793 0.2427
Brugia malayi beta-lactamase family protein 0.0043 0.0793 0.2427
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0793 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0793 1
Loa Loa (eye worm) beta-lactamase 0.0043 0.0793 0.2427
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0793 1
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0793 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0793 0.0793
Mycobacterium ulcerans hypothetical protein 0.0043 0.0793 1
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0793 0.0793
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0793 0.0793
Loa Loa (eye worm) hypothetical protein 0.0043 0.0793 0.2427
Giardia lamblia DINP protein human, muc B family 0.0023 0 0.5
Brugia malayi hypothetical protein 0.0106 0.3266 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0793 0.2427
Brugia malayi beta-lactamase family protein 0.0043 0.0793 0.2427
Mycobacterium tuberculosis Conserved protein 0.0043 0.0793 0.0793
Trichomonas vaginalis esterase, putative 0.0043 0.0793 1
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0793 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0793 1
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0793 0.5
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0 0.5
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0793 1
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0793 0.0793
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0793 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0793 0.2427
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0793 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0793 1
Mycobacterium tuberculosis Conserved protein 0.0043 0.0793 0.0793
Loa Loa (eye worm) hypothetical protein 0.0106 0.3266 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0793 0.2427
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0793 0.0793
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0793 1
Brugia malayi beta-lactamase 0.0043 0.0793 0.2427
Toxoplasma gondii ABC1 family protein 0.0043 0.0793 0.5
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0793 0.0793
Mycobacterium tuberculosis Conserved protein 0.0043 0.0793 0.0793
Loa Loa (eye worm) hypothetical protein 0.0043 0.0793 0.2427
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0793 0.0793
Schistosoma mansoni eyes absent homolog 0.0106 0.3266 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0793 0.2427
Mycobacterium ulcerans beta-lactamase 0.0043 0.0793 1
Loa Loa (eye worm) hypothetical protein 0.0106 0.3266 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0793 1
Mycobacterium ulcerans lipase LipD 0.0043 0.0793 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0793 0.2427
Leishmania major hypothetical protein, conserved 0.0043 0.0793 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0793 1
Mycobacterium leprae Probable lipase LipE 0.0043 0.0793 0.5
Onchocerca volvulus 0.0043 0.0793 0.5
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0793 0.2427
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0793 0.2427
Onchocerca volvulus 0.0043 0.0793 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.631 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 2.8184 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 3.5481 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the Phosphatase Activity of Eya2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488939] 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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