Detailed information for compound 604102

Basic information

Technical information
  • TDR Targets ID: 604102
  • Name: N-(5-chloro-2-hydroxyphenyl)-5-thiophen-2-yl- 7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine- 3-carboxamide
  • MW: 438.811 | Formula: C18H10ClF3N4O2S
  • H donors: 2 H acceptors: 4 LogP: 3.73 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(c(c1)NC(=O)c1cnn2c1nc(cc2C(F)(F)F)c1cccs1)O
  • InChi: 1S/C18H10ClF3N4O2S/c19-9-3-4-13(27)11(6-9)25-17(28)10-8-23-26-15(18(20,21)22)7-12(24-16(10)26)14-2-1-5-29-14/h1-8,27H,(H,25,28)
  • InChiKey: HXKRUSRRNIZJEN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(5-chloro-2-hydroxy-phenyl)-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
  • N-(5-chloro-2-hydroxyphenyl)-5-(2-thienyl)-7-(trifluoromethyl)-3-pyrazolo[1,5-a]pyrimidinecarboxamide
  • N-(5-chloro-2-hydroxy-phenyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
  • CBMicro_034690
  • BAS 00923986
  • BIM-0034697.P001

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
Brugia malayi Intermediate filament tail domain containing protein 0.003 0.3309 0.3
Schistosoma mansoni tar DNA-binding protein 0.0062 1 1
Echinococcus multilocularis dna polymerase eta 0.0019 0.1053 0.095
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.1053 0.5
Trypanosoma brucei unspecified product 0.0019 0.1053 0.5
Schistosoma mansoni tar DNA-binding protein 0.0062 1 1
Loa Loa (eye worm) intermediate filament protein 0.003 0.3309 0.3309
Echinococcus multilocularis lamin dm0 0.003 0.3309 0.3232
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.1053 0.5
Leishmania major DNA polymerase kappa, putative 0.0019 0.1053 0.5
Echinococcus granulosus dna polymerase kappa 0.0019 0.1053 0.095
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.1053 0.5
Loa Loa (eye worm) hypothetical protein 0.0029 0.3196 0.3196
Echinococcus multilocularis musashi 0.003 0.3309 0.3232
Loa Loa (eye worm) hypothetical protein 0.0019 0.1053 0.1053
Schistosoma mansoni lamin 0.003 0.3309 0.2521
Brugia malayi intermediate filament protein 0.003 0.3309 0.3
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.1053 0.5
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.1053 0.095
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.1053 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.1053 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.1053 0.5
Trypanosoma cruzi DNA polymerase eta, putative 0.0019 0.1053 0.5
Loa Loa (eye worm) RNA binding protein 0.0062 1 1
Echinococcus granulosus tar DNA binding protein 0.0062 1 1
Loa Loa (eye worm) hypothetical protein 0.003 0.3309 0.3309
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.1053 0.5
Onchocerca volvulus 0.003 0.3309 0.5
Echinococcus multilocularis lamin 0.003 0.3309 0.3232
Schistosoma mansoni tar DNA-binding protein 0.0062 1 1
Onchocerca volvulus 0.003 0.3309 0.5
Loa Loa (eye worm) TAR-binding protein 0.0062 1 1
Echinococcus granulosus intermediate filament protein 0.003 0.3309 0.3232
Leishmania major DNA polymerase eta, putative 0.0019 0.1053 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0062 1 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.1053 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.1053 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.1053 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.1053 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.1053 0.5
Echinococcus granulosus lamin dm0 0.003 0.3309 0.3232
Echinococcus granulosus lamin 0.003 0.3309 0.3232
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.1053 0.095
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.1053 0.5
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.1053 0.5
Schistosoma mansoni lamin 0.003 0.3309 0.2521
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.1053 0.064
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.1053 0.5
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.1053 0.5
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.1053 0.1053
Echinococcus multilocularis tar DNA binding protein 0.0062 1 1
Schistosoma mansoni intermediate filament proteins 0.003 0.3309 0.2521
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.1053 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.1053 0.5
Echinococcus multilocularis dna polymerase kappa 0.0019 0.1053 0.095
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0016 0.0441 0.0441
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.1053 0.5
Giardia lamblia DINP protein human, muc B family 0.0019 0.1053 0.5
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.1053 0.5
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.003 0.3309 0.3309
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.1053 0.5
Schistosoma mansoni tar DNA-binding protein 0.0062 1 1
Brugia malayi TAR-binding protein 0.0062 1 1
Entamoeba histolytica deoxycytidyl transferase, putative 0.0019 0.1053 0.5
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.1053 0.5
Schistosoma mansoni tar DNA-binding protein 0.0062 1 1
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.1053 0.5
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.1053 0.5
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.1053 0.064
Echinococcus granulosus dna polymerase eta 0.0019 0.1053 0.095
Loa Loa (eye worm) hypothetical protein 0.0014 0.0113 0.0113

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 1 % GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 LDH activity, using an LDH reporter assay. Test compounds present at 2uM ChEMBL. 20485427
Inhibition (functional) = 2.61 % ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGLUT1 that are glucose transport deficient and complemented with the human glucose transporter GLUT1. Activity is measured by DNA content using SYBR green in vitro ChEMBL. No reference
Inhibition (functional) = 3.63 % ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGT2 that are glucose transport deficient and complemented with the L. Mexicana glucose transporter 2. Activity is measured by by DNA content using SYBR green in vitro ChEMBL. No reference
Inhibition (functional) = 4.71 % ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmPfHT that are glucose transport deficient and complemented with the Plasmodium falciparum hexose transporter. Activity is measured by by DNA content using SYBR green in vitro ChEMBL. No reference
Inhibition (functional) = 8 % GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM. ChEMBL. 20485427
Inhibition (functional) = 74 % GSK_TCMDC: Inhibition of Plasmodium falciparum Dd2 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM ChEMBL. 20485427
Inhibition (functional) = 100 % GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM ChEMBL. 20485427
Inhibition frequency index (IFI) (functional) = 0 Inhibition Frequency Index (IFI) GSK. 20485427
Percent growth inhibition (functional) = 1 % Percent inhibition of P. falciparum lactate dehydrogenase activity (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 8 % Percent inhibition of HepG2 growth (at 10 uM) GSK. 20485427
Percent growth inhibition (functional) = 74 % Percent inhibition of P. falciparum Dd2 growth (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 100 % Percent inhibition of P. falciparum 3D7 growth (at 2 uM) GSK. 20485427
XC50 (functional) = 6.07 XC50 determination of P. falciparum 3D7 growth GSK. 20485427
XC50 (functional) = 0.85925 uM GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole erythrocytes, using parasite LDH activity as an index of growth. ChEMBL. 20485427

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.

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