Detailed information for compound 1555515

Basic information

Technical information
  • TDR Targets ID: 1555515
  • Name: 3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazo lo[1,5-a]pyrimidin-6-yl]-N-[(4-methoxyphenyl) methyl]propanamide
  • MW: 474.552 | Formula: C27H30N4O4
  • H donors: 1 H acceptors: 3 LogP: 3.7 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)CNC(=O)CCc1c(C)nc2n(c1C)nc(c2)c1ccc(cc1OC)OC
  • InChi: 1S/C27H30N4O4/c1-17-22(12-13-27(32)28-16-19-6-8-20(33-3)9-7-19)18(2)31-26(29-17)15-24(30-31)23-11-10-21(34-4)14-25(23)35-5/h6-11,14-15H,12-13,16H2,1-5H3,(H,28,32)
  • InChiKey: ZQFVNRZRVNNIGB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-[2-(2,4-dimethoxyphenyl)-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-6-yl]-N-[(4-methoxyphenyl)methyl]propanamide
  • 3-[2-(2,4-dimethoxyphenyl)-5,7-dimethyl-6-pyrazolo[1,5-a]pyrimidinyl]-N-[(4-methoxyphenyl)methyl]propanamide
  • 3-[2-(2,4-dimethoxyphenyl)-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-6-yl]-N-(4-methoxybenzyl)propionamide
  • C561-1458
  • NCGC00110275-01

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
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0048 0.1776 0.2163
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0457 0.0488
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0048 0.1776 0.2163
Echinococcus multilocularis cpg binding protein 0.0033 0.1115 0.1324
Echinococcus granulosus histone lysine methyltransferase setb 0.0048 0.1776 0.2163
Trichomonas vaginalis GTP-binding protein (q) alpha-11 subunit, gna11, putative 0.0008 0.0072 0.0072
Loa Loa (eye worm) histone methyltransferase 0.001 0.0151 0.009
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0008 0.0075 0.0004
Plasmodium vivax SET domain protein, putative 0.0031 0.1038 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0192 0.7951 0.9074
Schistosoma mansoni bromodomain containing protein 0.0065 0.2529 0.3118
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.0457 0.0488
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0192 0.7951 0.9074
Toxoplasma gondii histone lysine methyltransferase SET1 0.0058 0.2224 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.1635 0.1801
Loa Loa (eye worm) hypothetical protein 0.0048 0.1776 0.1962
Brugia malayi Pre-SET motif family protein 0.0211 0.8755 1
Trypanosoma cruzi ISWI complex protein 0.0015 0.0381 0.5
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.0765 0.088
Brugia malayi CXXC zinc finger family protein 0.0029 0.0962 0.1025
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0192 0.7951 1
Echinococcus granulosus zinc finger protein 0.0021 0.0637 0.0717
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0063 0.2403 0.2959
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.0765 0.088
Onchocerca volvulus 0.0029 0.0962 0.0896
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0008 0.0072 0.0072
Brugia malayi Bromodomain containing protein 0.0077 0.3036 0.3413
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.1274 0.1525
Schistosoma mansoni cpg binding protein 0.0029 0.0962 0.1129
Trichomonas vaginalis GTP-binding protein (z) alpha subunit, gnaz, putative 0.0008 0.0072 0.0072
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0612 0.0621
Trypanosoma cruzi ISWI complex protein 0.0015 0.0381 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.1038 0.1226
Schistosoma mansoni cpg binding protein 0.0033 0.1115 0.1324
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0192 0.7951 1
Schistosoma mansoni zinc finger protein 0.0021 0.0637 0.0717
Leishmania major hypothetical protein, conserved 0.0015 0.0381 0.5
Trichomonas vaginalis set domain proteins, putative 0.024 1 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0048 0.1776 0.2163
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.1038 0.1226
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0075 0.0004
Trichomonas vaginalis G protein (olf) alpha subunit, gnal, putative 0.0008 0.0072 0.0072
Loa Loa (eye worm) bromodomain containing protein 0.0018 0.0483 0.0474
Loa Loa (eye worm) hypothetical protein 0.0071 0.278 0.3119
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0008 0.0072 0.0072
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0008 0.0075 0.0004
Schistosoma mansoni hypothetical protein 0.0021 0.0612 0.0685
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.0457 0.0488
Echinococcus granulosus mixed lineage leukemia protein mll 0.0008 0.0075 0.0004
Trichomonas vaginalis GTP-binding protein (O) alpha subunit, gnao, putative 0.0008 0.0072 0.0072
Brugia malayi F/Y-rich N-terminus family protein 0.0012 0.0228 0.018
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0963 0.1131
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0062 0.2374 0.2921
Echinococcus multilocularis zinc finger protein 0.0021 0.0637 0.0717
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.0765 0.088
Loa Loa (eye worm) hypothetical protein 0.0041 0.1482 0.1624
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0151 0.01
Onchocerca volvulus 0.0031 0.1038 0.0973
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0192 0.7951 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0192 0.7951 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0211 0.8755 1
Brugia malayi Bromodomain containing protein 0.0039 0.1376 0.1502
Entamoeba histolytica G protein alpha subunit, putative 0.0008 0.0072 0.5
Schistosoma mansoni cpg binding protein 0.0033 0.1115 0.1324
Brugia malayi Pre-SET motif family protein 0.0031 0.1038 0.1112
Schistosoma mansoni zinc finger protein 0.0015 0.0381 0.0392
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0192 0.7951 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.1038 0.1226
Brugia malayi PHD-finger family protein 0.0027 0.0868 0.0916
Trypanosoma brucei ISWI complex protein 0.0015 0.0381 0.5
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0962 0.1025
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0008 0.0075 0.0004
Loa Loa (eye worm) hypothetical protein 0.0039 0.1379 0.1506
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0192 0.7951 1
Schistosoma mansoni hypothetical protein 0.0015 0.0381 0.0392
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0151 0.01
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0008 0.0072 0.0072
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.1274 0.1525
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0062 0.2374 0.2921
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0008 0.0072 0.0072
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0192 0.7951 1
Echinococcus granulosus cpg binding protein 0.0033 0.1115 0.1324
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0457 0.0488

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] 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.

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