Detailed information for compound 1297835

Basic information

Technical information
  • TDR Targets ID: 1297835
  • Name: N-[(2-methoxyphenyl)methyl]-1-phenylpyrazolo[ 4,5-e]pyrimidin-4-amine
  • MW: 331.371 | Formula: C19H17N5O
  • H donors: 1 H acceptors: 3 LogP: 3.63 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1CNc1ncnc2c1cnn2c1ccccc1
  • InChi: 1S/C19H17N5O/c1-25-17-10-6-5-7-14(17)11-20-18-16-12-23-24(19(16)22-13-21-18)15-8-3-2-4-9-15/h2-10,12-13H,11H2,1H3,(H,20,21,22)
  • InChiKey: SWCQVRSQXNFTRK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[(2-methoxyphenyl)methyl]-1-phenyl-pyrazolo[4,5-e]pyrimidin-4-amine
  • N-[(2-methoxyphenyl)methyl]-1-phenyl-4-pyrazolo[4,5-e]pyrimidinamine
  • (2-methoxybenzyl)-(1-phenylpyrazolo[4,5-e]pyrimidin-4-yl)amine
  • T5687868
  • Oprea1_588198
  • MLS000100845
  • SMR000017490
  • MLS000419629
  • IFLab1_002050

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium ulcerans DNA polymerase IV 0.0019 0 0.5
Brugia malayi ImpB/MucB/SamB family protein 0.0044 0.1198 0.1198
Brugia malayi TAR-binding protein 0.0076 0.2733 0.2733
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0 0.5
Leishmania major DNA polymerase eta, putative 0.0031 0.0572 0.4775
Loa Loa (eye worm) RNA binding protein 0.0076 0.2733 0.2733
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0 0.5
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0072 0.2503 0.2503
Echinococcus granulosus GA binding protein alpha chain 0.0072 0.2503 0.9158
Loa Loa (eye worm) hypothetical protein 0.0061 0.2008 0.2008
Trypanosoma brucei DNA polymerase eta, putative 0.0044 0.1198 1
Schistosoma mansoni DNA polymerase eta 0.0044 0.1198 0.1268
Giardia lamblia DINP protein human, muc B family 0.0019 0 0.5
Schistosoma mansoni gabp alpha 0.0072 0.2503 0.265
Entamoeba histolytica deoxycytidyl transferase, putative 0.0019 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2733 0.2893
Trypanosoma cruzi DNA polymerase eta, putative 0.0031 0.0572 0.4775
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.2733 0.2733
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0229 1 1
Mycobacterium ulcerans DNA polymerase IV 0.0019 0 0.5
Schistosoma mansoni ets-related 0.0218 0.9446 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2733 0.2893
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0 0.5
Echinococcus multilocularis GA binding protein alpha chain 0.0072 0.2503 0.9158
Loa Loa (eye worm) hypothetical protein 0.0044 0.1198 0.1198
Brugia malayi Ets-domain containing protein 0.0072 0.2503 0.2503
Echinococcus multilocularis dna polymerase eta 0.0044 0.1198 0.4383
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2733 0.2893
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0 0.5
Leishmania major DNA polymerase eta, putative 0.0044 0.1198 1
Loa Loa (eye worm) TAR-binding protein 0.0076 0.2733 0.2733
Brugia malayi Ets-domain containing protein 0.0072 0.2503 0.2503
Brugia malayi Fli-1 protein 0.0218 0.9446 0.9446
Echinococcus multilocularis tar DNA binding protein 0.0076 0.2733 1
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0031 0.0572 0.5
Loa Loa (eye worm) fli-1 protein 0.0218 0.9446 0.9446
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2733 0.2893
Echinococcus granulosus tar DNA binding protein 0.0076 0.2733 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0044 0.1198 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2733 0.2893
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.2733 0.2733
Brugia malayi RNA binding protein 0.0076 0.2733 0.2733
Echinococcus granulosus dna polymerase eta 0.0044 0.1198 0.4383

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 26.8545 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] 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) 29.081 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) 29.0929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 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

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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