Detailed information for compound 1457714

Basic information

Technical information
  • TDR Targets ID: 1457714
  • Name: N-[(2-methoxyphenyl)methyl]-1,1-di(phenyl)met hanamine
  • MW: 303.398 | Formula: C21H21NO
  • H donors: 1 H acceptors: 0 LogP: 4.45 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1CNC(c1ccccc1)c1ccccc1
  • InChi: 1S/C21H21NO/c1-23-20-15-9-8-14-19(20)16-22-21(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-15,21-22H,16H2,1H3
  • InChiKey: DHHVJOSDBVBONF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • di(phenyl)methyl-(2-methoxybenzyl)amine
  • AN-465/41988238
  • MLS001178963
  • N-benzhydryl-N-(2-methoxybenzyl)amine
  • SMR000477191
  • T5309234

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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 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
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
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 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 granulosus guanine nucleotide binding protein Gs 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
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 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
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 isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0099 0.0455 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0111 0.0111
Schistosoma mansoni hypothetical protein 0.0415 0.2941 0.2941
Schistosoma mansoni tar DNA-binding protein 0.1313 1 1
Echinococcus granulosus GPCR family 2 0.0415 0.2941 0.2941
Brugia malayi RNA recognition motif domain containing protein 0.1313 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0897 0.6728 0.6728
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0099 0.0455 0.5
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0099 0.0455 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.1312 0.9992 0.9992
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0099 0.0455 0.5
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0099 0.0455 0.5
Schistosoma mansoni tar DNA-binding protein 0.1313 1 1
Loa Loa (eye worm) transcription factor SMAD2 0.0603 0.4423 0.4423
Brugia malayi Latrophilin receptor protein 2 0.0415 0.2941 0.2941
Echinococcus multilocularis GPCR, family 2 0.0415 0.2941 0.2941
Brugia malayi Isocitrate dehydrogenase 0.0099 0.0455 0.0455
Loa Loa (eye worm) MH2 domain-containing protein 0.0603 0.4423 0.4423
Toxoplasma gondii isocitrate dehydrogenase 0.0099 0.0455 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.1312 0.9992 0.9992
Schistosoma mansoni tar DNA-binding protein 0.1313 1 1
Brugia malayi isocitrate dehydrogenase 0.0099 0.0455 0.0455
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0111 0.0111
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0099 0.0455 0.0455
Loa Loa (eye worm) hypothetical protein 0.0314 0.2148 0.2148
Brugia malayi MH2 domain containing protein 0.0603 0.4423 0.4423
Brugia malayi TAR-binding protein 0.1313 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0111 0.0111
Echinococcus granulosus tar DNA binding protein 0.1313 1 1
Toxoplasma gondii isocitrate dehydrogenase 0.0099 0.0455 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0111 0.0111
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0099 0.0455 0.0455
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0099 0.0455 0.0455
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.1312 0.9992 0.9992
Loa Loa (eye worm) isocitrate dehydrogenase 0.0099 0.0455 0.0455
Loa Loa (eye worm) hypothetical protein 0.0415 0.2941 0.2941
Loa Loa (eye worm) hypothetical protein 0.1312 0.9992 0.9992
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0415 0.2941 0.2941
Schistosoma mansoni hypothetical protein 0.0415 0.2941 0.2941
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0111 0.0111
Echinococcus multilocularis isocitrate dehydrogenase 0.0099 0.0455 0.0455
Loa Loa (eye worm) TAR-binding protein 0.1313 1 1
Brugia malayi hypothetical protein 0.0314 0.2148 0.2148
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0111 0.0111
Schistosoma mansoni hypothetical protein 0.0415 0.2941 0.2941
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0415 0.2941 0.2941
Echinococcus multilocularis tar DNA binding protein 0.1313 1 1
Loa Loa (eye worm) RNA binding protein 0.1313 1 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0099 0.0455 0.0455
Schistosoma mansoni hypothetical protein 0.0415 0.2941 0.2941
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0099 0.0455 0.5
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0099 0.0455 0.0455
Loa Loa (eye worm) hypothetical protein 0.0897 0.6728 0.6728
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0099 0.0455 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.1313 1 1
Onchocerca volvulus 0.0314 0.2148 0.5
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0415 0.2941 0.2941
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0415 0.2941 0.2941
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0099 0.0455 0.0455
Loa Loa (eye worm) latrophilin receptor protein 2 0.0415 0.2941 0.2941
Schistosoma mansoni tar DNA-binding protein 0.1313 1 1
Schistosoma mansoni hypothetical protein 0.0897 0.6728 0.6728
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0415 0.2941 0.2941
Schistosoma mansoni tar DNA-binding protein 0.1313 1 1
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0099 0.0455 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0111 0.0111
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0111 0.0111
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0111 0.0111

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 7.9433 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) 8.2753 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) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying a Potential Treatment of Ataxia-Telangiectasia. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 56.2341 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) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 100 uM PubChem BioAssay. qHTS for Agonist of cAMP-regulated guanine nucleotide exchange factor 4 (EPAC2): primary screen. (Class of assay: confirmatory) 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.