Detailed information for compound 1410029

Basic information

Technical information
  • TDR Targets ID: 1410029
  • Name: 3-(3,4-diethoxyphenyl)-2,7-dimethyl-N-(1-phen ylethyl)pyrazolo[1,5-a]pyrimidine-6-carboxami de
  • MW: 458.552 | Formula: C27H30N4O3
  • H donors: 1 H acceptors: 3 LogP: 4.6 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1cc(ccc1OCC)c1c(C)nn2c1ncc(c2C)C(=O)NC(c1ccccc1)C
  • InChi: 1S/C27H30N4O3/c1-6-33-23-14-13-21(15-24(23)34-7-2)25-18(4)30-31-19(5)22(16-28-26(25)31)27(32)29-17(3)20-11-9-8-10-12-20/h8-17H,6-7H2,1-5H3,(H,29,32)
  • InChiKey: ZLDFQDKIIFXQJK-UHFFFAOYSA-N  

Network

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Synonyms

  • 3-(3,4-diethoxyphenyl)-2,7-dimethyl-N-(1-phenylethyl)-6-pyrazolo[1,5-a]pyrimidinecarboxamide
  • G210-0060
  • NCGC00129366-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504

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
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0507 0.5816 1
Schistosoma mansoni cathepsin s 0.0165 0.1435 0.0872
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0507 0.5816 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0265 0.2725 0.4054
Echinococcus granulosus cathepsin l cysteine peptidase 0.0507 0.5816 0.554
Onchocerca volvulus 0.0507 0.5816 1
Loa Loa (eye worm) gamma-secretase subunit aph-1 0.0135 0.1053 0.0839
Trypanosoma cruzi cruzipain precursor, putative 0.0507 0.5816 1
Echinococcus multilocularis gamma secretase subunit aph 1 0.0135 0.1053 0.0465
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0507 0.5816 1
Trypanosoma cruzi major cysteine proteinase, putative 0.0101 0.0617 0.1061
Trypanosoma cruzi cysteine peptidase, putative 0.0265 0.2725 0.4685
Trypanosoma cruzi cysteine proteinase, putative 0.0265 0.2725 0.4685
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0507 0.5816 1
Entamoeba histolytica cysteine protease, putative 0.0265 0.2725 0.4054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0507 0.5816 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0507 0.5816 1
Trypanosoma brucei cysteine peptidase C (CPC) 0.0189 0.175 0.301
Leishmania major cathepsin L-like protease 0.0507 0.5816 1
Echinococcus multilocularis cysteine protease 0.0507 0.5816 0.554
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0507 0.5816 1
Entamoeba histolytica cysteine proteinase 1, putative 0.0265 0.2725 0.4054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0507 0.5816 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0507 0.5816 1
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0189 0.175 0.218
Echinococcus multilocularis cathepsin b 0.0387 0.4281 0.3905
Plasmodium vivax vivapain-3 0.0265 0.2725 0.4054
Entamoeba histolytica cysteine protease, putative 0.0265 0.2725 0.4054
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0507 0.5816 1
Onchocerca volvulus 0.0507 0.5816 1
Echinococcus granulosus cathepsin b 0.0387 0.4281 0.3905
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0507 0.5816 1
Loa Loa (eye worm) hypothetical protein 0.0165 0.1435 0.1573
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0507 0.5816 1
Loa Loa (eye worm) hypothetical protein 0.0387 0.4281 0.7048
Echinococcus granulosus gamma secretase subunit aph 1 0.0135 0.1053 0.0465
Echinococcus granulosus cathepsin L cysteine proteinase 0.0507 0.5816 0.554
Leishmania major cathepsin L-like protease 0.0507 0.5816 1
Leishmania major cathepsin L-like protease 0.0507 0.5816 1
Trypanosoma cruzi cysteine peptidase, putative 0.0507 0.5816 1
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0265 0.2725 0.4685
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0387 0.4281 0.3905
Entamoeba histolytica cysteine proteinase, putative 0.0507 0.5816 1
Echinococcus granulosus cathepsin L 0.0265 0.2725 0.2246
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0507 0.5816 1
Onchocerca volvulus 0.0507 0.5816 1
Brugia malayi Cathepsin L-like precursor 0.0507 0.5816 1
Entamoeba histolytica cysteine protease, putative 0.0265 0.2725 0.4054
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0265 0.2725 0.2246
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0507 0.5816 1
Brugia malayi Papain family cysteine protease containing protein 0.0265 0.2725 0.4054
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0507 0.5816 1
Entamoeba histolytica cysteine proteinase, putative 0.0342 0.3708 0.5946
Entamoeba histolytica cysteine protease, putative 0.0265 0.2725 0.4054
Entamoeba histolytica cysteine proteinase 2 0.0265 0.2725 0.4054
Leishmania major cathepsin L-like protease 0.0507 0.5816 1
Entamoeba histolytica cysteine protease, putative 0.0265 0.2725 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0507 0.5816 1
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0507 0.5816 1
Brugia malayi gamma-secretase subunit aph-1 0.0135 0.1053 0.0839
Onchocerca volvulus Cathepsin F homolog 0.0507 0.5816 1
Onchocerca volvulus 0.0507 0.5816 1
Echinococcus granulosus cysteine protease 0.0265 0.2725 0.2246
Giardia lamblia Cathepsin B precursor 0.0189 0.175 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0265 0.2725 0.2246
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0342 0.3708 0.5946
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0507 0.5816 1
Echinococcus multilocularis cathepsin L 0.0265 0.2725 0.2246
Onchocerca volvulus 0.0507 0.5816 1
Loa Loa (eye worm) hypothetical protein 0.0342 0.3708 0.5946
Brugia malayi Cathepsin L-like precursor 0.0342 0.3708 0.5946
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0507 0.5816 1
Entamoeba histolytica cysteine proteinase, putative 0.0265 0.2725 0.4054
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0507 0.5816 0.554
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0189 0.175 0.1208
Leishmania major cathepsin L-like protease 0.0507 0.5816 1
Brugia malayi Cathepsin L-like precursor 0.0165 0.1435 0.1573
Plasmodium falciparum cysteine proteinase falcipain 1 0.0265 0.2725 0.4054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0507 0.5816 1
Trypanosoma cruzi cysteine peptidase, putative 0.0165 0.1435 0.2468
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0507 0.5816 1
Plasmodium vivax vivapain-2 0.0507 0.5816 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0387 0.4281 0.7361
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0387 0.4281 0.3905
Brugia malayi Cathepsin L-like precursor 0.0507 0.5816 1
Loa Loa (eye worm) ctsf protein 0.0507 0.5816 1
Plasmodium vivax vivapain-1 0.0265 0.2725 0.4054
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0507 0.5816 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0507 0.5816 1
Onchocerca volvulus Cathepsin L homolog 0.0507 0.5816 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0507 0.5816 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0507 0.5816 1
Entamoeba histolytica cysteine protease, putative 0.0507 0.5816 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0265 0.2725 0.4054
Trypanosoma cruzi cysteine peptidase, putative 0.0507 0.5816 1
Giardia lamblia Cathepsin B precursor 0.0189 0.175 1
Schistosoma mansoni cathepsin F (C01 family) 0.0342 0.3708 0.3294
Trypanosoma cruzi cysteine peptidase, putative 0.0507 0.5816 1
Brugia malayi Cathepsin L-like precursor 0.0507 0.5816 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0342 0.3708 0.5946
Plasmodium vivax vivapain-2 0.0507 0.5816 1
Entamoeba histolytica cysteine protease, putative 0.0265 0.2725 0.4054
Trypanosoma cruzi cruzipain precursor, putative 0.0165 0.1435 0.2468
Loa Loa (eye worm) fibroinase 0.0507 0.5816 1
Brugia malayi Cathepsin L-like precursor 0.0507 0.5816 1
Brugia malayi Papain family cysteine protease containing protein 0.0265 0.2725 0.4054
Entamoeba histolytica cysteine proteinase, putative 0.0265 0.2725 0.4054
Leishmania major cathepsin L-like protease 0.0507 0.5816 1
Trypanosoma cruzi major cysteine proteinase, putative 0.0101 0.0617 0.1061
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0507 0.5816 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0507 0.5816 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0507 0.5816 0.554
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0507 0.5816 1
Entamoeba histolytica cysteine proteinase, putative 0.0265 0.2725 0.4054
Trypanosoma cruzi cysteine proteinase, putative 0.0265 0.2725 0.4685
Echinococcus multilocularis cysteine protease 0.0507 0.5816 0.554
Loa Loa (eye worm) hypothetical protein 0.0342 0.3708 0.5946
Brugia malayi Cathepsin L-like precursor 0.0507 0.5816 1
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0507 0.5816 1
Brugia malayi Cathepsin L-like precursor 0.0342 0.3708 0.5946
Brugia malayi Cathepsin L-like cysteine proteinase 0.0342 0.3708 0.5946
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0507 0.5816 0.554
Brugia malayi Papain family cysteine protease containing protein 0.0507 0.5816 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0507 0.5816 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0507 0.5816 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0189 0.175 0.301
Brugia malayi cathepsin L-like precursor 0.0342 0.3708 0.5946
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0165 0.1435 0.1573
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0507 0.5816 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0507 0.5816 1
Echinococcus multilocularis cathepsin b 0.0387 0.4281 0.3905
Trypanosoma cruzi cysteine protease, putative 0.0265 0.2725 0.4685
Loa Loa (eye worm) hypothetical protein 0.0165 0.1435 0.1573
Onchocerca volvulus 0.0507 0.5816 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0507 0.5816 0.554
Giardia lamblia Cathepsin B precursor 0.0189 0.175 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0507 0.5816 1
Plasmodium vivax unspecified product 0.0265 0.2725 0.4054
Echinococcus granulosus cathepsin L cysteine protease 0.0265 0.2725 0.2246
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0165 0.1435 0.1573
Leishmania major cathepsin L-like protease 0.0507 0.5816 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0507 0.5816 1
Toxoplasma gondii cathepsin CPL 0.0507 0.5816 1
Onchocerca volvulus 0.0342 0.3708 0.5946
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0265 0.2725 0.4685
Entamoeba histolytica cysteine protease, putative 0.0265 0.2725 0.4054
Brugia malayi cathepsin F-like cysteine proteinase 0.0165 0.1435 0.1573
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Echinococcus granulosus cathepsin l1 0.0342 0.3708 0.3294
Echinococcus granulosus cathepsin b 0.0387 0.4281 0.3905
Schistosoma mansoni cathepsin F (C01 family) 0.0507 0.5816 0.554
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0342 0.3708 0.6376
Entamoeba histolytica cysteine protease, putative 0.0265 0.2725 0.4054
Loa Loa (eye worm) hypothetical protein 0.0507 0.5816 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0265 0.2725 0.4685
Leishmania major cathepsin L-like protease 0.0507 0.5816 1
Entamoeba histolytica cysteine protease, putative 0.0265 0.2725 0.4054
Trypanosoma cruzi cysteine peptidase, putative 0.0507 0.5816 1
Entamoeba histolytica cysteine protease, putative 0.0265 0.2725 0.4054
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0507 0.5816 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0507 0.5816 1
Leishmania major cysteine peptidase A (CPA) 0.0507 0.5816 1
Onchocerca volvulus 0.0507 0.5816 1
Entamoeba histolytica cysteine proteinase, putative 0.0507 0.5816 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0507 0.5816 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0507 0.5816 1
Loa Loa (eye worm) hypothetical protein 0.0342 0.3708 0.5946
Schistosoma mansoni gamma-secretase subunit aph-1 0.0135 0.1053 0.0465
Onchocerca volvulus Cathepsin L homolog 0.0507 0.5816 1
Entamoeba histolytica cysteine protease, putative 0.0265 0.2725 0.4054
Loa Loa (eye worm) cathepsin B 0.0189 0.175 0.218
Loa Loa (eye worm) cysteine protease 0.0507 0.5816 1
Entamoeba histolytica cysteine proteinase, putative 0.0265 0.2725 0.4054
Toxoplasma gondii cathepsin B 0.0189 0.175 0.218
Loa Loa (eye worm) hypothetical protein 0.0165 0.1435 0.1573
Brugia malayi cathepsin B-like cysteine proteinase 0.0387 0.4281 0.7048
Entamoeba histolytica cysteine protease, putative 0.0265 0.2725 0.4054
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0387 0.4281 0.3905
Schistosoma mansoni cathepsin F (C01 family) 0.0507 0.5816 0.554
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0265 0.2725 0.2246
Plasmodium vivax unspecified product 0.0165 0.1435 0.1573
Echinococcus granulosus cathepsin l1 0.0507 0.5816 0.554
Entamoeba histolytica cysteine protease, putative 0.0265 0.2725 0.4054
Plasmodium falciparum cysteine proteinase falcipain 3 0.0507 0.5816 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0387 0.4281 0.3905
Brugia malayi Cathepsin L-like precursor 0.0507 0.5816 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0507 0.5816 1
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (binding) = 17.7828 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] 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) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) = 112.2018 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] 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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