Detailed information for compound 1201696

Basic information

Technical information
  • TDR Targets ID: 1201696
  • Name: 5-cyclopropyl-N-(3-methylpent-1-yn-3-yl)-7-(t rifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-ca rboxamide
  • MW: 350.338 | Formula: C17H17F3N4O
  • H donors: 1 H acceptors: 3 LogP: 2.67 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(NC(=O)c1nn2c(c1)nc(cc2C(F)(F)F)C1CC1)(C#C)C
  • InChi: 1S/C17H17F3N4O/c1-4-16(3,5-2)22-15(25)12-9-14-21-11(10-6-7-10)8-13(17(18,19)20)24(14)23-12/h1,8-10H,5-7H2,2-3H3,(H,22,25)
  • InChiKey: FKFCWFJQXZJUTE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-cyclopropyl-N-(1-ethyl-1-methyl-prop-2-ynyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
  • 5-cyclopropyl-N-(1-ethyl-1-methylprop-2-ynyl)-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxamide
  • A3392/0143917
  • 5-cyclopropyl-N-(1-ethyl-1-methylprop-2-ynyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
  • MLS000728942
  • SMR000307220

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Human immunodeficiency virus 1 Aberrant vpr protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0063 0.3242 0.3242
Loa Loa (eye worm) hypothetical protein 0.0044 0.2035 0.2304
Echinococcus granulosus dual specificity 0.0089 0.4896 0.4896
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0302 0.0302
Brugia malayi Bromodomain containing protein 0.0042 0.188 0.2129
Schistosoma mansoni zinc finger protein 0.0023 0.0689 0.0689
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0045 0.208 0.5
Schistosoma mansoni hypothetical protein 0.0168 1 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0045 0.208 0.208
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.0302 0.0302
Entamoeba histolytica protein kinase domain containing protein 0.0089 0.4896 1
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.0567 0.0642
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.1504 0.1504
Loa Loa (eye worm) hypothetical protein 0.0038 0.1659 0.1878
Brugia malayi Bromodomain containing protein 0.0078 0.4216 0.4773
Schistosoma mansoni zinc finger protein 0.0015 0.0191 0.0191
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0045 0.208 0.5
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0146 0.8591 0.8591
Onchocerca volvulus 0.015 0.8833 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.1504 0.1504
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0063 0.3242 0.3242
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0146 0.8591 0.8591
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.0652 0.0652
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0302 0.0302
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0017 0.0302 0.0302
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0045 0.208 0.5
Loa Loa (eye worm) hypothetical protein 0.015 0.8833 1
Entamoeba histolytica protein kinase, putative 0.0089 0.4896 1
Giardia lamblia Histone acetyltransferase GCN5 0.0039 0.1703 0.5
Entamoeba histolytica protein kinase, putative 0.0089 0.4896 1
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0045 0.208 0.5
Echinococcus multilocularis dual specificity 0.0089 0.4896 0.4896
Loa Loa (eye worm) hypothetical protein 0.0088 0.4867 0.551
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.0302 0.0302
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.0302 0.0302
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.0652 0.0652
Brugia malayi PHD-finger family protein 0.0028 0.1028 0.1164
Schistosoma mansoni bromodomain containing protein 0.0066 0.347 0.347
Plasmodium falciparum histone acetyltransferase GCN5 0.0039 0.1703 0.5
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0089 0.4896 0.5543
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0089 0.4896 1
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0089 0.4896 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0302 0.0342
Trichomonas vaginalis bromodomain-containing protein, putative 0.0045 0.208 0.5
Echinococcus granulosus histone lysine methyltransferase setb 0.0017 0.0302 0.0302
Brugia malayi acetyltransferase, GNAT family protein 0.0146 0.8591 0.9726
Echinococcus multilocularis geminin 0.0168 1 1
Loa Loa (eye worm) hypothetical protein 0.0088 0.4867 0.551
Loa Loa (eye worm) PHD-finger family protein 0.002 0.053 0.06
Brugia malayi Protein kinase domain containing protein 0.0089 0.4896 0.5543
Loa Loa (eye worm) hypothetical protein 0.007 0.3717 0.4209
Echinococcus granulosus histone acetyltransferase KAT2B 0.014 0.8182 0.8182
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0089 0.4896 1
Loa Loa (eye worm) acetyltransferase 0.0146 0.8591 0.9726
Schistosoma mansoni serine/threonine protein kinase 0.0089 0.4896 0.4896
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.0302 0.0302
Schistosoma mansoni hypothetical protein 0.0168 1 1
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0652 0.0652
Schistosoma mansoni hypothetical protein 0.002 0.053 0.053
Echinococcus multilocularis zinc finger protein 0.0023 0.0689 0.0689
Brugia malayi hypothetical protein 0.015 0.8833 1
Echinococcus granulosus zinc finger protein 0.0023 0.0689 0.0689
Schistosoma mansoni hypothetical protein 0.0015 0.0191 0.0191
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0089 0.4896 1
Entamoeba histolytica hypothetical protein 0.0089 0.4896 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.2157 0.2442

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0657 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) 3.5481 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 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) = 17.7828 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (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) 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 (binding) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 31.6228 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
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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