Detailed information for compound 326670

Basic information

Technical information
  • TDR Targets ID: 326670
  • Name: 2,5-dimethyl-3-(6-methylpyridin-3-yl)-N,N-dip ropylpyrazolo[1,5-a]pyrimidin-7-amine
  • MW: 337.462 | Formula: C20H27N5
  • H donors: 0 H acceptors: 3 LogP: 4.33 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCN(c1cc(C)nc2n1nc(c2c1ccc(nc1)C)C)CCC
  • InChi: 1S/C20H27N5/c1-6-10-24(11-7-2)18-12-15(4)22-20-19(16(5)23-25(18)20)17-9-8-14(3)21-13-17/h8-9,12-13H,6-7,10-11H2,1-5H3
  • InChiKey: CJUMKBYLDDALRW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2,5-dimethyl-3-(6-methyl-3-pyridyl)-N,N-dipropyl-pyrazolo[1,5-a]pyrimidin-7-amine
  • 2,5-dimethyl-3-(6-methyl-3-pyridyl)-N,N-dipropyl-7-pyrazolo[1,5-a]pyrimidinamine
  • 2,5-dimethyl-3-(6-methylpyridin-3-yl)-N,N-dipropyl-pyrazolo[1,5-a]pyrimidin-7-amine
  • [2,5-dimethyl-3-(6-methyl-3-pyridyl)pyrazolo[1,5-a]pyrimidin-7-yl]-dipropyl-amine
  • 2,5-dimethyl-3-(6-methylpyridin-3-yl)-N,N-dipropylpyrazolo[5,1-b]pyrimidin-7-amine
  • 2,5-dimethyl-3-(6-methyl-3-pyridyl)-N,N-dipropyl-pyrazolo[5,1-b]pyrimidin-7-amine
  • 2,5-dimethyl-3-(6-methyl-3-pyridyl)-N,N-dipropyl-7-pyrazolo[5,1-b]pyrimidinamine
  • [2,5-dimethyl-3-(6-methyl-3-pyridyl)pyrazolo[5,1-b]pyrimidin-7-yl]-dipropyl-amine
  • 2,5-dimethyl-3-(6-methylpyridin-3-yl)-N,N-dipropyl-pyrazolo[5,1-b]pyrimidin-7-amine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens corticotropin releasing hormone receptor 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 Get druggable targets OG5_130760 All targets in OG5_130760
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative Get druggable targets OG5_130760 All targets in OG5_130760
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130760 All targets in OG5_130760
Schistosoma japonicum IPR001879,Hormone receptor, extracellular,domain-containing Get druggable targets OG5_130760 All targets in OG5_130760
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 Get druggable targets OG5_130760 All targets in OG5_130760
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c corticotropin releasing hormone receptor 1 444 aa 445 aa 25.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0083 0.1842 0.2277
Brugia malayi hypothetical protein 0.0057 0.0526 0.0482
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0073 0.1325 0.1285
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0707 0.0664
Echinococcus multilocularis c src tyrosine kinase 0.0083 0.1842 0.2277
Echinococcus granulosus dihydrofolate reductase 0.0049 0.012 0.0094
Onchocerca volvulus 0.0119 0.3655 1
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0083 0.1842 0.2277
Trichomonas vaginalis conserved hypothetical protein 0.0057 0.0526 0.5
Schistosoma mansoni dihydrofolate reductase 0.0049 0.012 0.0328
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0119 0.3655 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.0083 0.1842 0.2277
Echinococcus multilocularis thymidylate synthase 0.0119 0.3655 0.4575
Echinococcus multilocularis growth factor receptor bound protein 2 0.0073 0.1325 0.1622
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0167 0.6089 0.5
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0167 0.6089 0.5
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0119 0.3655 1
Schistosoma mansoni tyrosine kinase 0.0047 0.0046 0.0125
Echinococcus granulosus NCK adaptor protein 0.0073 0.1325 0.1622
Brugia malayi dihydrofolate reductase family protein 0.0049 0.012 0.0075
Loa Loa (eye worm) dihydrofolate reductase 0.0049 0.012 0.0075
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0083 0.1842 0.2277
Chlamydia trachomatis dihydrofolate reductase 0.0049 0.012 0.5
Echinococcus granulosus tyrosine protein kinase Fyn 0.0083 0.1842 0.2277
Schistosoma mansoni tyrosine kinase 0.0083 0.1842 0.5041
Schistosoma mansoni tyrosine kinase 0.0047 0.0046 0.0125
Brugia malayi Dihydrofolate reductase 0.0049 0.012 0.0075
Schistosoma mansoni adapter molecule crk 0.0073 0.1325 0.3625
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0083 0.1842 0.2277
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0047 0.0046 0.5
Loa Loa (eye worm) hypothetical protein 0.0073 0.1325 0.1285
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0119 0.3655 1
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0083 0.1842 0.2277
Mycobacterium tuberculosis Hypothetical protein 0.0057 0.0526 0.1148
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0083 0.1842 0.2277
Schistosoma mansoni tyrosine kinase 0.0083 0.1842 0.5041
Echinococcus granulosus tyrosine protein kinase Src64B 0.0083 0.1842 0.2277
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0167 0.6089 0.5
Brugia malayi Variant SH3 domain containing protein 0.0073 0.1325 0.1285
Echinococcus granulosus tyrosine protein kinase Src42A 0.0083 0.1842 0.2277
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0073 0.1325 0.1285
Schistosoma mansoni nck2/grb4 0.0073 0.1325 0.3625
Loa Loa (eye worm) thymidylate synthase 0.0119 0.3655 0.3626
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0083 0.1842 0.2277
Schistosoma mansoni growth factor receptor-bound protein 0.0073 0.1325 0.3625
Echinococcus granulosus thymidylate synthase 0.0119 0.3655 0.4575
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0167 0.6089 0.5
Brugia malayi SRC-1 0.0083 0.1842 0.1805
Schistosoma mansoni tyrosine kinase 0.0083 0.1842 0.5041
Echinococcus granulosus tyrosine protein kinase Fyn 0.0083 0.1842 0.2277
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.0073 0.1325 0.3625
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0083 0.1842 0.2277
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0083 0.1842 0.5041
Loa Loa (eye worm) hypothetical protein 0.0245 1 1
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0167 0.6089 0.5
Brugia malayi Sex muscle abnormal protein 5 0.0073 0.1325 0.1285
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0204 0.7935 1
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0167 0.6089 1
Schistosoma mansoni tyrosine kinase 0.0083 0.1842 0.5041
Echinococcus granulosus c src tyrosine kinase 0.0083 0.1842 0.2277
Schistosoma mansoni growth factor receptor-bound protein 0.0073 0.1325 0.3625
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0083 0.1842 0.2277
Loa Loa (eye worm) SRC-1 0.0083 0.1842 0.1805
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0204 0.7935 1
Echinococcus multilocularis dihydrofolate reductase 0.0049 0.012 0.0094
Echinococcus granulosus growth factor receptor bound protein 2 0.0073 0.1325 0.1622
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0707 0.0664
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0083 0.1842 0.2277
Echinococcus granulosus tyrosine protein kinase Lyn 0.0083 0.1842 0.2277
Echinococcus multilocularis NCK adaptor protein 0.0073 0.1325 0.1622
Brugia malayi Variant SH3 domain containing protein 0.0073 0.1325 0.1285
Echinococcus multilocularis tyrosine protein kinase Abl 0.0083 0.1842 0.2277
Brugia malayi thymidylate synthase 0.0119 0.3655 0.3626
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0083 0.1842 0.2277
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0083 0.1842 0.2277
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0083 0.1842 0.2277
Mycobacterium ulcerans thymidylate synthase 0.0119 0.3655 1
Brugia malayi Tyrosine-protein kinase abl-1 0.0083 0.1842 0.1805

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 21 nM Inhibition of [125I]-o-CRF binding to CHO cells expressing human CRF1 receptor ChEMBL. 15341493
Ki (binding) = 21 nM Inhibition of [125I]-o-CRF binding to CHO cells expressing human CRF1 receptor ChEMBL. 15341493

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

1 literature reference was collected for this gene.

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