Detailed information for compound 1435405

Basic information

Technical information
  • TDR Targets ID: 1435405
  • Name: 5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)py razolo[1,5-a]pyrimidine-2-carboxylic acid
  • MW: 367.279 | Formula: C16H12F3N3O4
  • H donors: 1 H acceptors: 4 LogP: 2.71 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(ccc1OC)c1nc2cc(nn2c(c1)C(F)(F)F)C(=O)O
  • InChi: 1S/C16H12F3N3O4/c1-25-11-4-3-8(5-12(11)26-2)9-6-13(16(17,18)19)22-14(20-9)7-10(21-22)15(23)24/h3-7H,1-2H3,(H,23,24)
  • InChiKey: APPISXLWZYHSDY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxylic acid
  • MLS000109317
  • SMR000105261
  • STOCK2S-39136
  • BAS 00923869

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens thyroid stimulating hormone receptor Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed), eta Starlite/ChEMBL No references
Homo sapiens mitogen-activated protein kinase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense mitogen-activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania infantum mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K04371 extracellular signal-regulated kinase 1/2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma congolense tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana mitogen-activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi MAP kinase sur-1 Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Giardia lamblia Kinase, CMGC MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni DNA polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Toxoplasma gondii ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans MAP kinase implicated in PKC1-controlled signalling pathway Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani mitogen-activated protein kinase 4 Get druggable targets OG5_126781 All targets in OG5_126781
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium parvum MAPK, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense protein kinase, putative,tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma congolense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Cryptosporidium hominis MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen activated protein kinase 2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus multilocularis mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Brugia malayi follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Leishmania braziliensis mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440,map kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Leishmania infantum mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Neospora caninum Pc21g17280 protein, related Get druggable targets OG5_128521 All targets in OG5_128521
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania donovani mitogen activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium parvum DinB/family X-type DNA polymerase Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei gambiense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania major mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 1 360 aa 361 aa 33.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0054 0.0072 0.0072
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0047 0.058
Plasmodium falciparum diacylglycerol O-acyltransferase 0.0371 0.0812 0.5
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0047 0.0793
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0047 0.058
Leishmania major glycerol uptake protein, putative 0.0371 0.0812 1
Echinococcus multilocularis membrane bound acyltransferase:hhat 0.0371 0.0812 0.0812
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0062 0.0089 0.0089
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0371 0.0812 1
Schistosoma mansoni DNA polymerase eta 0.0054 0.0072 0.0072
Treponema pallidum alginate O-acetylation protein (algI) 0.0371 0.0812 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0047 0.058
Mycobacterium ulcerans hypothetical protein 0.0043 0.0047 1
Trypanosoma brucei glycerol uptake protein, putative 0.0371 0.0812 1
Brugia malayi MBOAT family protein 0.0371 0.0812 0.0812
Onchocerca volvulus 0.0371 0.0812 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0047 0.0047
Trichomonas vaginalis porcupine, putative 0.0371 0.0812 1
Leishmania major glycerol uptake protein, putative 0.0371 0.0812 1
Loa Loa (eye worm) hypothetical protein 0.0371 0.0812 0.0812
Trypanosoma brucei DNA polymerase eta, putative 0.0054 0.0072 0.0884
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0047 0.058
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.0089 0.1099
Loa Loa (eye worm) hypothetical protein 0.0371 0.0812 0.0812
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0047 0.0047
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0047 0.0047
Loa Loa (eye worm) hhat protein 0.0371 0.0812 0.0812
Echinococcus granulosus membrane bound acyltransferase:hhat 0.0371 0.0812 0.0812
Giardia lamblia Kinase, CMGC MAPK 0.0062 0.0089 1
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0062 0.0089 0.1099
Echinococcus granulosus o acyltransferase membrane bound domain 0.0371 0.0812 0.0812
Loa Loa (eye worm) hypothetical protein 0.0043 0.0047 0.0047
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0062 0.0089 0.1099
Echinococcus multilocularis dna polymerase eta 0.0054 0.0072 0.0072
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.0594 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0047 0.058
Echinococcus multilocularis diacylglycerol O acyltransferase 1 0.0371 0.0812 0.0812
Toxoplasma gondii acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha 0.0371 0.0812 1
Schistosoma mansoni hypothetical protein 0.0371 0.0812 0.0812
Brugia malayi follicle stimulating hormone receptor 0.028 0.0599 0.0599
Leishmania major hypothetical protein, conserved 0.0043 0.0047 0.058
Loa Loa (eye worm) hhat protein 0.0371 0.0812 0.0812
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0089 0.1099
Brugia malayi beta-lactamase 0.0043 0.0047 0.0047
Trypanosoma cruzi DNA polymerase eta, putative 0.0054 0.0072 0.0884
Echinococcus multilocularis lysophospholipid acyltransferase 7 0.0371 0.0812 0.0812
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0047 0.0793
Brugia malayi beta-lactamase family protein 0.0043 0.0047 0.0047
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0047 0.5
Trypanosoma cruzi DNA polymerase eta, putative 0.0038 0.0034 0.0422
Leishmania major DNA polymerase eta, putative 0.0054 0.0072 0.0884
Echinococcus granulosus sterol O acyltransferase 1 0.0371 0.0812 0.0812
Brugia malayi beta-lactamase family protein 0.0043 0.0047 0.0047
Mycobacterium ulcerans beta-lactamase 0.0043 0.0047 1
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0062 0.0089 0.0707
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0371 0.0812 0.0812
Echinococcus granulosus Membrane bound O acyl transferase MBOAT 0.0371 0.0812 0.0812
Mycobacterium leprae Probable lipase LipE 0.0043 0.0047 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.0089 0.0089
Mycobacterium tuberculosis Conserved protein 0.0043 0.0047 0.0793
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0371 0.0812 0.0812
Echinococcus multilocularis mitogen activated protein kinase 3 0.0062 0.0089 0.0089
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0371 0.0812 1
Echinococcus multilocularis mitogen activated protein kinase 0.0062 0.0089 0.0089
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0062 0.0089 0.1099
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0047 0.058
Echinococcus granulosus mitogen activated protein kinase 3 0.0062 0.0089 0.0089
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0371 0.0812 0.0812
Echinococcus granulosus diacylglycerol O acyltransferase 1 0.0371 0.0812 0.0812
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0062 0.0089 0.1099
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0047 0.0047
Loa Loa (eye worm) diacylglycerol acyltransferase 0.0371 0.0812 0.0812
Brugia malayi Hhat protein 0.0371 0.0812 0.0812
Loa Loa (eye worm) hypothetical protein 0.0043 0.0047 0.0047
Brugia malayi MBOAT family protein 0.0371 0.0812 0.0812
Loa Loa (eye worm) hypothetical protein 0.0043 0.0047 0.0047
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0047 0.0793
Entamoeba histolytica hypothetical protein 0.0371 0.0812 1
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0089 0.1099
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0371 0.0812 0.0812
Schistosoma mansoni membrane-bound acyltransferase/hhat 0.0371 0.0812 0.0812
Echinococcus multilocularis protein cysteine N palmitoyltransferase 0.4307 1 1
Trypanosoma brucei protein kinase, putative 0.0062 0.0089 0.1099
Loa Loa (eye worm) MBOAT family protein 0.0371 0.0812 0.0812
Leishmania major glycerol uptake protein, putative 0.0371 0.0812 1
Leishmania major hypothetical protein, conserved 0.0371 0.0812 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.0089 0.1099
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0089 0.1099
Echinococcus multilocularis Membrane bound O acyl transferase, MBOAT 0.0371 0.0812 0.0812
Echinococcus granulosus zinc finger protein 0.3936 0.9134 0.9134
Entamoeba histolytica hypothetical protein, conserved 0.0371 0.0812 1
Echinococcus granulosus o acyltransferase membrane bound domain 0.0371 0.0812 0.0812
Echinococcus granulosus dna polymerase eta 0.0054 0.0072 0.0072
Echinococcus granulosus lysophospholipid acyltransferase 7 0.0371 0.0812 0.0812
Loa Loa (eye worm) beta-lactamase 0.0043 0.0047 0.0047
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0047 0.0793
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0047 0.058
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0047 1
Leishmania major glycerol uptake protein, putative 0.0371 0.0812 1
Schistosoma mansoni zinc finger protein 0.4307 1 1
Echinococcus granulosus protein cysteine N palmitoyltransferase 0.4307 1 1
Entamoeba histolytica vacuolar protein sorting 26 0.0371 0.0812 1
Mycobacterium tuberculosis Conserved protein 0.0043 0.0047 0.0793
Mycobacterium ulcerans lipase LipD 0.0043 0.0047 1
Brugia malayi MAP kinase sur-1 0.0062 0.0089 0.0089
Schistosoma mansoni diacylglycerol O-acyltransferase 1 0.0371 0.0812 0.0812
Loa Loa (eye worm) membrane bound O-acyltransferase domain containing 1 0.0371 0.0812 0.0812
Toxoplasma gondii hypothetical protein 0.0371 0.0812 1
Echinococcus granulosus o acyltransferase membrane bound domain 0.0371 0.0812 0.0812
Schistosoma mansoni leukocyte receptor cluster (lrc) member 4 protein 0.0371 0.0812 0.0812
Trichomonas vaginalis esterase, putative 0.0043 0.0047 0.058
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0047 0.0047
Trichomonas vaginalis conserved hypothetical protein 0.0371 0.0812 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.028 0.0599 0.0599
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0371 0.0812 0.0812
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0062 0.0089 0.1099
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0371 0.0812 0.0812
Trichomonas vaginalis transmembrane protein nessy, putative 0.0371 0.0812 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0047 0.0047
Loa Loa (eye worm) MBOAT family protein 0.0371 0.0812 0.0812
Trypanosoma cruzi glycerol uptake protein, putative 0.0371 0.0812 1
Echinococcus multilocularis sterol O acyltransferase 1 0.0371 0.0812 0.0812
Loa Loa (eye worm) MBOAT family protein 0.4307 1 1
Leishmania major glycerol uptake protein, putative 0.0371 0.0812 1
Plasmodium vivax diacylglycerol O-acyltransferase, putative 0.0371 0.0812 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0047 0.0047
Trichomonas vaginalis conserved hypothetical protein 0.0371 0.0812 1
Trypanosoma cruzi GUP1, putative 0.0371 0.0812 1
Schistosoma mansoni sterol O-acyltransferase 1 0.0371 0.0812 0.0812
Trichomonas vaginalis conserved hypothetical protein 0.0371 0.0812 1
Trypanosoma cruzi GUP1, putative 0.0371 0.0812 1
Brugia malayi MBOAT family protein 0.0371 0.0812 0.0812
Trypanosoma cruzi glycerol uptake protein, putative 0.0371 0.0812 1
Brugia malayi MBOAT family protein 0.0371 0.0812 0.0812
Trypanosoma cruzi glycerol uptake protein, putative 0.0371 0.0812 1
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0047 0.0793
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0047 0.058
Leishmania major DNA polymerase eta, putative 0.0038 0.0034 0.0422
Echinococcus multilocularis zinc finger protein 0.3936 0.9134 0.9134
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0047 0.0047
Toxoplasma gondii ABC1 family protein 0.0043 0.0047 0.0165
Loa Loa (eye worm) hypothetical protein 0.0371 0.0812 0.0812
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0047 0.0793
Brugia malayi ImpB/MucB/SamB family protein 0.0054 0.0072 0.0072
Mycobacterium tuberculosis Conserved protein 0.0043 0.0047 0.0793
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0047 0.0047
Trypanosoma brucei glycerol uptake protein, putative 0.0371 0.0812 1
Brugia malayi diacylglycerol acyltransferase 0.0371 0.0812 0.0812
Toxoplasma gondii acyl-CoA:diacylglycerol acyltransferase 1-related enzyme 0.0371 0.0812 1
Echinococcus granulosus mitogen activated protein kinase 0.0062 0.0089 0.0089
Loa Loa (eye worm) hypothetical protein 0.0371 0.0812 0.0812
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0089 0.1099
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0047 0.0793
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0371 0.0812 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0047 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.631 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
Potency (functional) = 1 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 18.526 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 (binding) 25.1189 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (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 (binding) = 31.6228 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) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Allosteric/Competitive Inhibitors of Caspase-1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 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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