Detailed information for compound 1435427

Basic information

Technical information
  • TDR Targets ID: 1435427
  • Name: N-(5-chloro-2-methoxyphenyl)-5-(4-methylpheny l)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidi ne-2-carboxamide
  • MW: 460.836 | Formula: C22H16ClF3N4O2
  • H donors: 1 H acceptors: 3 LogP: 5.04 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1NC(=O)c1nn2c(c1)nc(cc2C(F)(F)F)c1ccc(cc1)C)Cl
  • InChi: 1S/C22H16ClF3N4O2/c1-12-3-5-13(6-4-12)15-10-19(22(24,25)26)30-20(27-15)11-17(29-30)21(31)28-16-9-14(23)7-8-18(16)32-2/h3-11H,1-2H3,(H,28,31)
  • InChiKey: BWPVIGCDULIZBQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(5-chloro-2-methoxy-phenyl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
  • N-(5-chloro-2-methoxyphenyl)-5-(4-methylphenyl)-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxamide
  • NCGC00165003-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
Schistosoma mansoni 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
Schistosoma japonicum TAR DNA-binding protein 43, putative 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 recognition motif domain containing 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
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA 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
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 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 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
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
Loa Loa (eye worm) RNA binding protein 0.0076 0.0268 0.1885
Trypanosoma brucei cytochrome P450, putative 0.0026 0 0.5
Loa Loa (eye worm) hypothetical protein 0.005 0.0128 0.0901
Brugia malayi Sodium:neurotransmitter symporter family protein 0.005 0.0128 0.0901
Loa Loa (eye worm) hypothetical protein 0.005 0.0128 0.0901
Brugia malayi follicle stimulating hormone receptor 0.0226 0.106 0.7439
Treponema pallidum sodium- and chloride- dependent transporter 0.0295 0.1425 0.5
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.005 0.0128 0.0035
Toxoplasma gondii kinesin motor domain-containing protein 0.0249 0.118 1
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.005 0.0128 0.0035
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0268 0.1885
Loa Loa (eye worm) hypothetical protein 0.0295 0.1425 1
Plasmodium falciparum kinesin-5 0.0249 0.118 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0026 0 0.5
Brugia malayi Cytochrome P450 family protein 0.0054 0.0152 0.1066
Brugia malayi hypothetical protein 0.005 0.0128 0.0901
Giardia lamblia Kinesin-5 0.0249 0.118 0.5
Loa Loa (eye worm) hypothetical protein 0.005 0.0128 0.0901
Leishmania major cytochrome p450-like protein 0.0026 0 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.0268 0.1885
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.005 0.0128 0.0041
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.005 0.0128 0.0041
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.005 0.0128 0.0035
Echinococcus granulosus uncharacterized sodium dependent transporter 0.005 0.0128 0.0035
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0295 0.1425 0.155
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0268 0.0204
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0226 0.106 0.7439
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.005 0.0128 0.0035
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0295 0.1425 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0268 0.0204
Echinococcus multilocularis tar DNA binding protein 0.0076 0.0268 0.0177
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.005 0.0128 0.0041
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.005 0.0128 0.0035
Onchocerca volvulus 0.0295 0.1425 1
Loa Loa (eye worm) norepinephrine transporter 0.0295 0.1425 1
Brugia malayi TAR-binding protein 0.0076 0.0268 0.1885
Plasmodium vivax kinesin-5 0.0249 0.118 1
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.005 0.0128 0.0041
Schistosoma mansoni sodium/chloride dependent transporter 0.0295 0.1425 0.155
Loa Loa (eye worm) hypothetical protein 0.0295 0.1425 1
Echinococcus multilocularis sodium and chloride dependent glycine 0.005 0.0128 0.0035
Schistosoma mansoni hypothetical protein 0.1665 0.8683 1
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.005 0.0128 0.5
Echinococcus multilocularis serotonin transporter 0.0295 0.1425 0.1344
Trypanosoma cruzi cytochrome P450, putative 0.0026 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0268 0.0204
Schistosoma mansoni sodium/chloride dependent transporter 0.005 0.0128 0.0041
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0268 0.0204
Echinococcus granulosus sodium and chloride dependent glycine 0.005 0.0128 0.0035
Echinococcus granulosus sodium and chloride dependent glycine 0.005 0.0128 0.0035
Loa Loa (eye worm) hypothetical protein 0.0295 0.1425 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0268 0.0204
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.005 0.0128 0.0901
Brugia malayi Sodium:neurotransmitter symporter family protein 0.005 0.0128 0.0901
Brugia malayi Sodium:neurotransmitter symporter family protein 0.005 0.0128 0.0901
Echinococcus multilocularis sodium and chloride dependent glycine 0.005 0.0128 0.0035
Trypanosoma cruzi cytochrome P450, putative 0.0026 0 0.5
Echinococcus granulosus tar DNA binding protein 0.0076 0.0268 0.0177
Echinococcus multilocularis kinesin family 1 0.1914 1 1
Loa Loa (eye worm) TAR-binding protein 0.0076 0.0268 0.1885
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.005 0.0128 0.0041
Brugia malayi Kinesin motor domain containing protein 0.0249 0.118 0.8283
Loa Loa (eye worm) kinesin-like protein KLP2 0.0249 0.118 0.8283
Brugia malayi hypothetical protein 0.0043 0.0093 0.0656
Brugia malayi RNA binding protein 0.0076 0.0268 0.1885
Loa Loa (eye worm) hypothetical protein 0.005 0.0128 0.0901
Loa Loa (eye worm) cytochrome P450 family protein 0.0054 0.0152 0.1066
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.005 0.0128 0.0041
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.005 0.0128 0.0901
Schistosoma mansoni sodium-dependent amino acid transporter 0.005 0.0128 0.0041
Loa Loa (eye worm) hypothetical protein 0.005 0.0128 0.0901
Entamoeba histolytica kinesin, putative 0.0249 0.118 1
Schistosoma mansoni kinesin eg-5 0.0249 0.118 0.1265
Echinococcus granulosus uncharacterized sodium dependent transporter 0.005 0.0128 0.0035
Loa Loa (eye worm) serotonin transporter b 0.0295 0.1425 1
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.005 0.0128 0.0901
Loa Loa (eye worm) solute carrier family 6 member 4 0.0295 0.1425 1
Schistosoma mansoni sodium/chloride dependent transporter 0.005 0.0128 0.0041
Loa Loa (eye worm) hypothetical protein 0.005 0.0128 0.0901
Loa Loa (eye worm) hypothetical protein 0.005 0.0128 0.0901
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.005 0.0128 0.0041
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.005 0.0128 0.0041
Echinococcus granulosus serotonin transporter 0.0295 0.1425 0.1344

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.2512 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.4581 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) 7.0795 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 28.1838 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) 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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