Detailed information for compound 1295337

Basic information

Technical information
  • TDR Targets ID: 1295337
  • Name: [(4-dimethylaminophenyl)-(phenylmethoxy)phosp horyl]-pyridin-3-ylmethanol
  • MW: 382.393 | Formula: C21H23N2O3P
  • H donors: 1 H acceptors: 3 LogP: 2.47 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(c1ccc(cc1)P(=O)(C(c1cccnc1)O)OCc1ccccc1)C
  • InChi: 1S/C21H23N2O3P/c1-23(2)19-10-12-20(13-11-19)27(25,21(24)18-9-6-14-22-15-18)26-16-17-7-4-3-5-8-17/h3-15,21,24H,16H2,1-2H3
  • InChiKey: XPKUQUNAYWMZOV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [(4-dimethylaminophenyl)-(phenylmethoxy)phosphoryl]-(3-pyridyl)methanol
  • [benzyloxy-(4-dimethylaminophenyl)phosphoryl]-(3-pyridyl)methanol
  • [(4-dimethylaminophenyl)-(phenylmethoxy)phosphoryl]-pyridin-3-yl-methanol
  • MLS000042165
  • SMR000043185
  • Oprea1_361782
  • STOCK4S-05635

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative 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
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
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
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
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 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
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
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
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0112 0.3531 0.8837
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0049 0.1196 0.2985
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0017 0.0005 0.5
Echinococcus multilocularis lamin 0.0056 0.1438 0.2231
Loa Loa (eye worm) transcription factor SMAD2 0.0247 0.8565 0.9833
Onchocerca volvulus 0.0056 0.1438 0.0781
Schistosoma mansoni tar DNA-binding protein 0.019 0.6447 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1426 0.1637
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1426 0.2211
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0017 0.0005 0.5
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.0391 0.3235
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0391 0.3235
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0017 0.0005 0.5
Loa Loa (eye worm) hypothetical protein 0.0027 0.037 0.0425
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0391 0.3235
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0017 0.0005 0.0008
Echinococcus granulosus intermediate filament protein 0.0056 0.1438 0.2231
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1426 0.2211
Mycobacterium tuberculosis Probable reductase 0.0112 0.3531 0.8837
Plasmodium vivax SET domain protein, putative 0.0036 0.0713 0.594
Loa Loa (eye worm) TAR-binding protein 0.019 0.6447 0.7402
Brugia malayi Pre-SET motif family protein 0.0251 0.871 1
Plasmodium vivax glutathione reductase, putative 0.0049 0.1196 1
Loa Loa (eye worm) intermediate filament protein 0.0056 0.1438 0.1651
Brugia malayi MH2 domain containing protein 0.0247 0.8565 0.9833
Echinococcus granulosus lamin 0.0056 0.1438 0.2231
Toxoplasma gondii LsmAD domain-containing protein 0.0027 0.0391 0.3235
Trypanosoma brucei trypanothione reductase 0.0049 0.1196 1
Trypanosoma cruzi trypanothione reductase, putative 0.0049 0.1196 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0713 0.1106
Brugia malayi Thioredoxin reductase 0.0049 0.1196 0.1374
Brugia malayi Intermediate filament tail domain containing protein 0.0056 0.1438 0.1651
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0112 0.3531 0.8837
Schistosoma mansoni tar DNA-binding protein 0.019 0.6447 1
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0.0391 0.3235
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0713 0.1106
Echinococcus granulosus tar DNA binding protein 0.019 0.6447 1
Echinococcus granulosus lamin dm0 0.0056 0.1438 0.2231
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0017 0.0005 0.0008
Loa Loa (eye worm) glutathione reductase 0.0049 0.1196 0.1374
Brugia malayi hypothetical protein 0.0027 0.0391 0.0448
Brugia malayi RNA recognition motif domain containing protein 0.019 0.6447 0.7402
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0664 0.1029
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0017 0.0005 0.0006
Schistosoma mansoni lamin 0.0056 0.1438 0.2231
Brugia malayi Pre-SET motif family protein 0.0036 0.0713 0.0818
Brugia malayi intermediate filament protein 0.0056 0.1438 0.1651
Brugia malayi RNA binding protein 0.019 0.6447 0.7402
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0391 0.3235
Plasmodium falciparum glutathione reductase 0.0049 0.1196 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0391 0.0448
Loa Loa (eye worm) thioredoxin reductase 0.0049 0.1196 0.1374
Echinococcus multilocularis tar DNA binding protein 0.019 0.6447 1
Plasmodium falciparum thioredoxin reductase 0.0049 0.1196 1
Leishmania major hypothetical protein, conserved 0.0027 0.0391 0.3235
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0112 0.3531 0.8837
Mycobacterium tuberculosis Probable oxidoreductase 0.0124 0.3995 1
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0027 0.037 0.0574
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0713 0.1106
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0017 0.0005 0.5
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0124 0.3995 1
Giardia lamblia NADH oxidase lateral transfer candidate 0.0017 0.0005 0.5
Schistosoma mansoni lamin 0.0056 0.1438 0.2231
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0027 0.037 0.0574
Treponema pallidum NADH oxidase 0.0017 0.0005 0.5
Schistosoma mansoni tar DNA-binding protein 0.019 0.6447 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1426 0.2211
Onchocerca volvulus 0.0056 0.1438 0.0781
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0391 0.3235
Schistosoma mansoni tar DNA-binding protein 0.019 0.6447 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1426 0.2211
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0017 0.0005 0.0008
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1426 0.2211
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0713 0.594
Mycobacterium tuberculosis Probable dehydrogenase 0.0112 0.3531 0.8837
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0112 0.3531 0.8837
Loa Loa (eye worm) MH2 domain-containing protein 0.0247 0.8565 0.9833
Schistosoma mansoni tar DNA-binding protein 0.019 0.6447 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0124 0.3995 1
Brugia malayi glutathione reductase 0.0049 0.1196 0.1374
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1426 0.2211
Loa Loa (eye worm) hypothetical protein 0.0026 0.0332 0.0382
Plasmodium vivax thioredoxin reductase, putative 0.0049 0.1196 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1426 0.1637
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0056 0.1438 0.1651
Echinococcus multilocularis lamin dm0 0.0056 0.1438 0.2231
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.019 0.6447 0.7402
Schistosoma mansoni intermediate filament proteins 0.0056 0.1438 0.2231
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0017 0.0005 0.5
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0713 0.1106
Echinococcus multilocularis musashi 0.0056 0.1438 0.2231
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1426 0.2211
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0713 0.1106
Brugia malayi TAR-binding protein 0.019 0.6447 0.7402
Loa Loa (eye worm) hypothetical protein 0.0036 0.0713 0.0818
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.003 0.048 0.0551
Leishmania major trypanothione reductase 0.0049 0.1196 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0713 0.1106
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0017 0.0005 0.5
Echinococcus multilocularis thioredoxin glutathione reductase 0.0049 0.1196 0.1856
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.871 1
Brugia malayi hypothetical protein 0.0018 0.003 0.0035
Loa Loa (eye worm) hypothetical protein 0.0055 0.1401 0.1608
Loa Loa (eye worm) RNA binding protein 0.019 0.6447 0.7402
Toxoplasma gondii thioredoxin reductase 0.0049 0.1196 1
Brugia malayi cytoplasmic intermediate filament protein 0.003 0.048 0.0551
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0713 0.1106
Loa Loa (eye worm) hypothetical protein 0.0026 0.0332 0.0382
Loa Loa (eye worm) hypothetical protein 0.0056 0.1438 0.1651
Echinococcus granulosus thioredoxin glutathione reductase 0.0049 0.1196 0.1856
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0124 0.3995 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0046 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 0.2512 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 12.5893 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
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase From Spleen Homogenate. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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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