Detailed information for compound 1575006

Basic information

Technical information
  • TDR Targets ID: 1575006
  • Name: 6-(2-methoxyphenyl)-2,4-dimethyl-7-(4-methylp henyl)purino[7,8-a]imidazole-1,3-dione
  • MW: 415.445 | Formula: C23H21N5O3
  • H donors: 0 H acceptors: 3 LogP: 4.13 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1n1c(cn2c1nc1c2c(=O)n(c(=O)n1C)C)c1ccc(cc1)C
  • InChi: 1S/C23H21N5O3/c1-14-9-11-15(12-10-14)17-13-27-19-20(25(2)23(30)26(3)21(19)29)24-22(27)28(17)16-7-5-6-8-18(16)31-4/h5-13H,1-4H3
  • InChiKey: FZDIJLPGGAWXJM-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 6-(2-methoxyphenyl)-2,4-dimethyl-7-(4-methylphenyl)purino[7,8-a]imidazole-1,3-quinone
  • NCGC00141831-01
  • A3980/0169514
  • ZINC04626215

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) hypothetical protein 0.0149 0.0277 0.0393
Echinococcus multilocularis vesicular acetylcholine transporter 0.1749 0.6243 0.6231
Echinococcus multilocularis serotonin transporter 0.0149 0.0277 0.0245
Onchocerca volvulus 0.0149 0.0277 0.0393
Schistosoma mansoni sodium/chloride dependent transporter 0.0149 0.0277 0.0393
Loa Loa (eye worm) hypothetical protein 0.0736 0.2466 0.3918
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0104 0.0109 0.0077
Brugia malayi ERG2 and Sigma1 receptor like protein 0.144 0.5093 0.8148
Mycobacterium ulcerans glutamine-binding lipoprotein GlnH 0.0075 0 0.5
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.1749 0.6243 1
Loa Loa (eye worm) hypothetical protein 0.0149 0.0277 0.0393
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.1749 0.6243 1
Loa Loa (eye worm) serotonin transporter b 0.0149 0.0277 0.0393
Treponema pallidum sodium- and chloride- dependent transporter 0.0149 0.0277 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.2756 1 1
Loa Loa (eye worm) solute carrier family 6 member 4 0.0149 0.0277 0.0393
Chlamydia trachomatis arginine ABC transporter substrate-binding protein ArtJ 0.0075 0 0.5
Chlamydia trachomatis glutamine binding protein 0.0075 0 0.5
Loa Loa (eye worm) norepinephrine transporter 0.0149 0.0277 0.0393
Loa Loa (eye worm) hypothetical protein 0.0149 0.0277 0.0393
Echinococcus multilocularis conserved hypothetical protein 0.0669 0.2214 0.2189
Echinococcus granulosus hypothetical protein 0.0752 0.2526 0.2502
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0149 0.0277 0.0393
Mycobacterium tuberculosis Probable glutamine-binding lipoprotein GlnH (GLNBP) 0.0075 0 0.5
Leishmania major C-8 sterol isomerase-like protein 0.144 0.5093 0.5
Schistosoma mansoni vesicular acetylcholine transporter 0.1749 0.6243 1
Echinococcus granulosus vesicular acetylcholine transporter 0.1749 0.6243 0.6231
Brugia malayi vesicular acetylcholine transporter unc-17 0.1749 0.6243 1
Echinococcus granulosus serotonin transporter 0.0149 0.0277 0.0245
Trypanosoma cruzi C-8 sterol isomerase, putative 0.144 0.5093 0.5
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0149 0.0277 0.0393
Echinococcus multilocularis nmda type glutamate receptor 0.0104 0.0109 0.0077
Echinococcus granulosus nmda type glutamate receptor 0.0104 0.0109 0.0077
Loa Loa (eye worm) hypothetical protein 0.144 0.5093 0.8148
Brugia malayi Serotonin receptor 0.053 0.1695 0.2677
Trypanosoma brucei C-8 sterol isomerase, putative 0.144 0.5093 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.2589 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) 63.0957 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of mutant isocitrate dehydrogenase 1 (IDH1): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 70.7946 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) 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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