Detailed information for compound 1407263

Basic information

Technical information
  • TDR Targets ID: 1407263
  • Name: [2-[(2-acetamidophenyl)-phenylphosphoryl]phen yl] acetate
  • MW: 393.372 | Formula: C22H20NO4P
  • H donors: 1 H acceptors: 3 LogP: 3.53 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Nc1ccccc1P(=O)(c1ccccc1OC(=O)C)c1ccccc1
  • InChi: 1S/C22H20NO4P/c1-16(24)23-19-12-6-8-14-21(19)28(26,18-10-4-3-5-11-18)22-15-9-7-13-20(22)27-17(2)25/h3-15H,1-2H3,(H,23,24)
  • InChiKey: NYJGIOQAJBYYBQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [2-[(2-acetamidophenyl)-phenyl-phosphoryl]phenyl] acetate
  • acetic acid [2-[(2-acetamidophenyl)-phenylphosphoryl]phenyl] ester
  • acetic acid [2-[(2-acetamidophenyl)-phenyl-phosphoryl]phenyl] ester
  • [2-[(2-acetamidophenyl)-phenyl-phosphoryl]phenyl] ethanoate
  • MLS000779807
  • SMR000420006
  • STOCK2S-31959
  • Acetic acid 2-[(2-acetylamino-phenyl)-phenyl-phosphinoyl]-phenyl ester

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
Loa Loa (eye worm) fli-1 protein 0.0217 0.245 0.245
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0031 0.0185 0.0114
Echinococcus granulosus chromobox protein 1 0.0069 0.0647 0.0647
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0031 0.0185 0.0114
Loa Loa (eye worm) hypothetical protein 0.0039 0.0279 0.0279
Trichomonas vaginalis abcb9, putative 0.0031 0.0185 0.0114
Brugia malayi Heterochromatin protein 1 0.0069 0.0647 0.0647
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0031 0.0185 0.0114
Brugia malayi hypothetical protein 0.0025 0.0113 0.0113
Loa Loa (eye worm) hypothetical protein 0.0031 0.0185 0.0185
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0418 0.4886 0.4886
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0418 0.4886 0.4886
Schistosoma mansoni ets-related 0.0217 0.245 0.245
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0418 0.4886 0.4886
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0031 0.0185 0.0114
Mycobacterium tuberculosis Conserved hypothetical membrane protein 0.0366 0.4259 1
Echinococcus multilocularis chromobox protein 1 0.0069 0.0647 0.0647
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0418 0.4886 0.4886
Echinococcus multilocularis multidrug resistance protein 1 0.0031 0.0185 0.0185
Toxoplasma gondii ATP-binding cassette transporter ABC.B1 0.0031 0.0185 0.0184
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.0418 0.4886 0.4886
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0031 0.0185 0.0185
Echinococcus multilocularis multidrug resistance protein 1 0.0021 0.0072 0.0072
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.0031 0.0185 0.0185
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.0315 1
Trichomonas vaginalis chromobox protein, putative 0.0069 0.0647 0.0579
Loa Loa (eye worm) hypothetical protein 0.0025 0.0113 0.0113
Echinococcus granulosus GA binding protein alpha chain 0.0072 0.068 0.068
Mycobacterium ulcerans hypothetical protein 0.0366 0.4259 0.5
Brugia malayi chromobox protein homolog 3 0.0039 0.0279 0.0279
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0031 0.0185 0.0185
Trichomonas vaginalis abcb9, putative 0.0031 0.0185 0.0114
Loa Loa (eye worm) hypothetical protein 0.0049 0.0409 0.0409
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0031 0.0185 0.0114
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0031 0.0185 0.0114
Brugia malayi multidrug resistance protein 3 0.0031 0.0185 0.0185
Schistosoma mansoni multidrug resistance protein 0.0031 0.0185 0.0185
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0409 0.0409
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0143 0.0071
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0031 0.0185 0.0185
Schistosoma mansoni chromobox protein 0.0069 0.0647 0.0647
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0113 0.0113
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0031 0.0185 0.0114
Schistosoma mansoni multidrug resistance protein 0.0031 0.0185 0.0185
Plasmodium falciparum multidrug resistance protein 1 0.0031 0.0185 0.0184
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0031 0.0185 0.0114
Echinococcus granulosus multidrug resistance protein 1 0.0031 0.0185 0.0185
Trichomonas vaginalis chromobox protein, putative 0.0069 0.0647 0.0579
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0031 0.0185 0.0185
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0031 0.0185 0.0114
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0031 0.0185 0.0114
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0031 0.0185 0.0114
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0143 0.0071
Chlamydia trachomatis ABC transporter ATP binding protein/permease 0.0031 0.0185 0.5
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.003 0.0181 0.0181
Loa Loa (eye worm) multidrug resistance protein 3 0.0031 0.0185 0.0185
Schistosoma mansoni multidrug resistance protein 0.0031 0.0185 0.0185
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0031 0.0185 0.0185
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0113 0.0113
Echinococcus granulosus multidrug resistance protein 1 0.0031 0.0185 0.0185
Loa Loa (eye worm) hypothetical protein 0.003 0.0178 0.0178
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.022 0.022
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0072 0.068 0.068
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0039 0.0279 0.7399
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0031 0.0185 0.0114
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0031 0.0185 0.0114
Mycobacterium tuberculosis Probable transmembrane multidrug efflux pump 0.0031 0.0185 0.0433
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0031 0.0185 0.0114
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0031 0.0185 0.0114
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0031 0.0185 0.0114
Echinococcus multilocularis multidrug resistance protein 1 0.0031 0.0185 0.0185
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0031 0.0185 0.0114
Echinococcus granulosus multidrug resistance protein 1 0.0031 0.0185 0.0185
Loa Loa (eye worm) hypothetical protein 0.003 0.0181 0.0181
Schistosoma mansoni chromobox protein 0.0069 0.0647 0.0647
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0113 0.0113
Echinococcus granulosus multidrug resistance protein 1 0.0021 0.0072 0.0072
Plasmodium vivax multidrug resistance protein 1, putative 0.0031 0.0185 0.0184
Trichomonas vaginalis ABC transporter, putative 0.0031 0.0185 0.0114
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0315 0.0245
Brugia malayi Ets-domain containing protein 0.0072 0.068 0.068
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0031 0.0185 0.0185
Schistosoma mansoni smdr2 0.0031 0.0185 0.0185
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0113 0.0113
Loa Loa (eye worm) hypothetical protein 0.0061 0.0554 0.0554
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0031 0.0185 0.0114
Echinococcus granulosus multidrug resistance protein 1 0.0021 0.0072 0.0072
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0031 0.0185 0.0114
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0409 0.0409
Trichomonas vaginalis taga, putative 0.0031 0.0185 0.0114
Brugia malayi hypothetical protein 0.0016 0.0006 0.0006
Onchocerca volvulus 0.0031 0.0185 0.0479
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0031 0.0185 0.0184
Brugia malayi ABC transporter family protein 0.0031 0.0185 0.0185
Schistosoma mansoni hypothetical protein 0.0034 0.022 0.022
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0113 0.0113
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0031 0.0185 0.0114
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0031 0.0185 0.0185
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0031 0.0185 0.0185
Trichomonas vaginalis ABC transporter, putative 0.0031 0.0185 0.0114
Echinococcus multilocularis ATP binding cassette sub family B 0.003 0.0181 0.0181
Brugia malayi Fli-1 protein 0.0217 0.245 0.245
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0409 0.0409
Trichomonas vaginalis abcb9, putative 0.0031 0.0185 0.0114
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0031 0.0185 0.0185
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0279 0.0209
Trichomonas vaginalis ABC transporter, putative 0.0031 0.0185 0.0114
Leishmania major p-glycoprotein 0.0031 0.0185 0.0184
Schistosoma mansoni gabp alpha 0.0072 0.068 0.068
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0315 0.0245
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0279 0.0209
Trichomonas vaginalis ABC transporter, putative 0.0031 0.0185 0.0114
Echinococcus multilocularis GA binding protein alpha chain 0.0072 0.068 0.068
Echinococcus granulosus chromobox protein 1 0.0069 0.0647 0.0647
Loa Loa (eye worm) hypothetical protein 0.0031 0.0185 0.0185
Loa Loa (eye worm) hypothetical protein 0.0034 0.022 0.022
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0113 0.0113
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0031 0.0185 0.0114
Loa Loa (eye worm) heterochromatin protein 1 0.0069 0.0647 0.0647
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0113 0.0113
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0031 0.0185 0.0114
Leishmania major ATP-binding cassette protein subfamily B, member 2, putative 0.0031 0.0185 0.0184
Brugia malayi Ets-domain containing protein 0.0072 0.068 0.068
Leishmania major hypothetical protein, conserved 0.0025 0.0113 0.0113
Echinococcus multilocularis chromobox protein 1 0.0069 0.0647 0.0647

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 23.0999 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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