Detailed information for compound 177382

Basic information

Technical information
  • TDR Targets ID: 177382
  • Name: 4-[2-(5-methylpyridin-3-yl)-4-(trifluoromethy l)imidazol-1-yl]benzenesulfonamide
  • MW: 382.36 | Formula: C16H13F3N4O2S
  • H donors: 1 H acceptors: 4 LogP: 2.11 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cncc(c1)c1nc(cn1c1ccc(cc1)S(=O)(=O)N)C(F)(F)F
  • InChi: 1S/C16H13F3N4O2S/c1-10-6-11(8-21-7-10)15-22-14(16(17,18)19)9-23(15)12-2-4-13(5-3-12)26(20,24)25/h2-9H,1H3,(H2,20,24,25)
  • InChiKey: NSRMOHFGSWCCFK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-[2-(5-methyl-3-pyridyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
  • 4-[2-(5-methyl-3-pyridyl)-4-(trifluoromethyl)-1-imidazolyl]benzenesulfonamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens prostaglandin-endoperoxide synthase 2 (prostaglandin G/H synthase and cyclooxygenase) Starlite/ChEMBL 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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.5885 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.2002 0.3214 0.3214
Onchocerca volvulus 0.039 0.0398 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.1132 0.1694 0.1694
Trichomonas vaginalis PIKK family atypical protein kinase 0.469 0.7911 0.7911
Leishmania major phosphatidylinositol 4-kinase, putative 0.039 0.0398 0.0398
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.2053 0.3303 0.3303
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.1132 0.1694 0.1694
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.041 0.0433 0.005
Leishmania major hypothetical protein, conserved 0.0482 0.0558 0.0558
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.2053 0.3303 0.3303
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.039 0.0398 0.9196
Brugia malayi FAT domain containing protein 0.087 0.1237 0.1237
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.2053 0.3303 0.3303
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0512 0.0611 0.0611
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0174 0.0021 0.0021
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0472 0.0541 0.0541
Echinococcus multilocularis 0.039 0.0398 0.0398
Trichomonas vaginalis conserved hypothetical protein 0.126 0.1919 0.1919
Schistosoma mansoni voltage-gated potassium channel 0.0204 0.0073 0.0073
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.5885 1 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0187 0.0043 0.0043
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.2053 0.3303 0.3303
Trichomonas vaginalis PIKK family atypical protein kinase 0.2002 0.3214 0.3214
Trichomonas vaginalis PIKK family atypical protein kinase 0.3518 0.5863 0.5863
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.2053 0.3303 0.3303
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.045 0.0503 0.0503
Entamoeba histolytica protein kinase rad3, putative 0.1132 0.1694 0.1694
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.045 0.0503 0.0503
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.5885 1 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.045 0.0503 0.0503
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0174 0.0021 0.0021
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.039 0.0398 0.9196
Trichomonas vaginalis PIKK family atypical protein kinase 0.3499 0.5831 0.5831
Schistosoma mansoni phosphatidylinositol 4-kinase 0.039 0.0398 0.0398
Trichomonas vaginalis PIKK family atypical protein kinase 0.3193 0.5295 0.5295
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0192 0.0052 0.0052
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0541 0.0663 0.0663
Trichomonas vaginalis conserved hypothetical protein 0.0742 0.1013 0.1013
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.041 0.0433 0.005
Schistosoma mansoni hypothetical protein 0.087 0.1237 0.1237
Trichomonas vaginalis PIKK family atypical protein kinase 0.3518 0.5863 0.5863
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.041 0.0433 1
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0756 0.1038 0.1038
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0582 0.0733 0.0733
Trypanosoma brucei target of rapamycin kinase 3, putative 0.4695 0.7919 0.7919
Echinococcus multilocularis serine protein kinase ATM 0.1132 0.1694 0.1694
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.039 0.0398 0.0398
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.039 0.0398 0.9196
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.1132 0.1694 0.1694
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.045 0.0503 0.0503
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0582 0.0733 0.0733
Trichomonas vaginalis PIKK family atypical protein kinase 0.469 0.7911 0.7911
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.039 0.0398 0.0398
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.039 0.0398 0.0398
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.1132 0.1694 0.1694
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0648 0.085 0.085
Giardia lamblia Phosphatidylinositol 4-kinase 0.039 0.0398 0.0398
Trichomonas vaginalis PIKK family atypical protein kinase 0.3197 0.5303 0.5303
Echinococcus multilocularis Zinc finger, PHD finger 0.041 0.0433 0.0433
Toxoplasma gondii target of rapamycin (TOR), putative 0.4388 0.7384 1
Entamoeba histolytica hypothetical protein 0.0541 0.0663 0.0663
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.039 0.0398 0.0398
Trichomonas vaginalis PIKK family atypical protein kinase 0.5885 1 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.039 0.0398 0.0398
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.1132 0.1694 0.1694
Onchocerca volvulus 0.039 0.0398 0.5
Entamoeba histolytica hypothetical protein 0.1132 0.1694 0.1694
Trichomonas vaginalis PIKK family atypical protein kinase 0.4388 0.7384 0.7384
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0742 0.1013 0.1013
Trichomonas vaginalis PIKK family atypical protein kinase 0.3197 0.5303 0.5303
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.041 0.0433 0.0433
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.045 0.0503 0.0503
Loa Loa (eye worm) phosphatidylinositol 3 0.039 0.0398 0.0398
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.5885 1 1
Leishmania major phosphatidylinositol 3-related kinase, putative 0.2013 0.3233 0.3233
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1132 0.1694 0.1694
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.039 0.0398 0.0398
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.087 0.1237 0.1237
Trichomonas vaginalis PIKK family atypical protein kinase 0.469 0.7911 0.7911
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.045 0.0503 0.0503
Trichomonas vaginalis PIKK family atypical protein kinase 0.3197 0.5303 0.5303
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.041 0.0433 0.0433
Plasmodium vivax hypothetical protein 0.039 0.0398 0.9196
Schistosoma mansoni phosphatidylinositol 4-kinase 0.041 0.0433 0.0433
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.5885 1 1
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.2013 0.3233 0.3233
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.041 0.0433 0.0433
Trichomonas vaginalis PIKK family atypical protein kinase 0.5015 0.8479 0.8479
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.039 0.0398 0.0398
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.041 0.0433 0.0433
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.041 0.0433 0.0433
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.2776 0.4567 0.4567
Leishmania major phosphatidylinositol 3-kinase, putative 0.041 0.0433 0.0433
Trichomonas vaginalis PIKK family atypical protein kinase 0.469 0.7911 0.7911
Loa Loa (eye worm) phosphatidylinositol kinase 0.039 0.0398 0.0398
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0582 0.0733 0.0733
Loa Loa (eye worm) phosphatidylinositol 3 0.039 0.0398 0.0398
Loa Loa (eye worm) hypothetical protein 0.0512 0.0611 0.0611
Loa Loa (eye worm) phosphatidylinositol 3 0.2013 0.3233 0.3233
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.045 0.0503 0.0503
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.5885 1 1
Echinococcus granulosus serine:threonine protein kinase SMG1 0.1132 0.1694 0.1694
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.5885 1 1
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.043 0.0468 0.0468
Trichomonas vaginalis PIKK family atypical protein kinase 0.1581 0.2478 0.2478
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.041 0.0433 0.0433
Trichomonas vaginalis PIKK family atypical protein kinase 0.3499 0.5831 0.5831
Giardia lamblia Hypothetical protein 0.039 0.0398 0.0398
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0187 0.0043 0.0043
Loa Loa (eye worm) hypothetical protein 0.039 0.0398 0.0398
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.041 0.0433 0.0433
Loa Loa (eye worm) phosphatidylinositol 3 0.0716 0.0967 0.0967
Trichomonas vaginalis PIKK family atypical protein kinase 0.382 0.639 0.639
Loa Loa (eye worm) hypothetical protein 0.1191 0.1797 0.1797
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0756 0.1038 0.1038
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0187 0.0043 0.0043
Trichomonas vaginalis PIKK family atypical protein kinase 0.2002 0.3214 0.3214
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.052 0.0625 0.0625
Loa Loa (eye worm) hypothetical protein 0.0742 0.1013 0.1013
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.2002 0.3214 0.3214
Loa Loa (eye worm) phosphatidylinositol 3 0.5885 1 1
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.039 0.0398 0.0398
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.041 0.0433 0.0433
Loa Loa (eye worm) phosphatidylinositol 3 0.039 0.0398 0.0398
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.052 0.0625 0.0625
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.039 0.0398 0.0398
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.2456 0.4007 0.4007
Leishmania major phosphatidylinositol 3-kinase, putative 0.2002 0.3214 0.3214
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.1142 0.1713 0.1713
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.087 0.1237 0.1237
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.041 0.0433 0.0433
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.039 0.0398 0.0398
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.045 0.0503 0.0503
Giardia lamblia GTOR 0.5885 1 1
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.041 0.0433 0.0433
Trypanosoma brucei phosphatidylinositol 3-kinase catalytic subunit, putative 0.039 0.0398 0.0398
Trichomonas vaginalis PIKK family atypical protein kinase 0.2002 0.3214 0.3214
Entamoeba histolytica hypothetical protein 0.039 0.0398 0.0398
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1132 0.1694 0.1694
Schistosoma mansoni hypothetical protein 0.039 0.0398 0.0398
Loa Loa (eye worm) hypothetical protein 0.1132 0.1694 0.1694
Trichomonas vaginalis PIKK family atypical protein kinase 0.2013 0.3233 0.3233
Trichomonas vaginalis PIKK family atypical protein kinase 0.5885 1 1
Leishmania major hypothetical protein, unknown function 0.039 0.0398 0.0398
Trichomonas vaginalis PIKK family atypical protein kinase 0.3193 0.5295 0.5295
Loa Loa (eye worm) phosphatidylinositol 3 0.039 0.0398 0.0398
Trichomonas vaginalis PIKK family atypical protein kinase 0.0742 0.1013 0.1013
Leishmania major phosphatidylinositol kinase, putative 0.039 0.0398 0.0398
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.0162 0 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.3197 0.5303 0.5303
Trichomonas vaginalis PIKK family atypical protein kinase 0.469 0.7911 0.7911
Leishmania major phosphatidylinositol kinase related protein, putative 0.039 0.0398 0.0398
Trichomonas vaginalis PIKK family atypical protein kinase 0.1132 0.1694 0.1694
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0512 0.0611 0.0611
Entamoeba histolytica hypothetical protein 0.039 0.0398 0.0398
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0479 0.0554 0.0554
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0582 0.0733 0.0733
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0187 0.0043 0.0043
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.041 0.0433 0.0433
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.0162 0 0.5
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.1132 0.1694 0.1694
Trichomonas vaginalis PIKK family atypical protein kinase 0.4388 0.7384 0.7384
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0648 0.085 0.085
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.041 0.0433 0.0433
Trichomonas vaginalis PIKK family atypical protein kinase 0.4388 0.7384 0.7384
Entamoeba histolytica phosphatidylinositol 3-kinase 3, putative 0.039 0.0398 0.0398
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.039 0.0398 0.0398
Trichomonas vaginalis conserved hypothetical protein 0.087 0.1237 0.1237
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.4695 0.7919 0.7919
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.039 0.0398 0.0398
Trichomonas vaginalis PIKK family atypical protein kinase 0.4388 0.7384 0.7384
Trichomonas vaginalis PIKK family atypical protein kinase 0.3948 0.6615 0.6615
Trichomonas vaginalis PIKK family atypical protein kinase 0.039 0.0398 0.0398
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0174 0.0021 0.0021
Schistosoma mansoni fkbp-rapamycin associated protein 0.1132 0.1694 0.1694
Loa Loa (eye worm) hypothetical protein 0.126 0.1919 0.1919
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.5885 1 1
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.039 0.0398 0.0398
Loa Loa (eye worm) hypothetical protein 0.087 0.1237 0.1237
Plasmodium falciparum phosphatidylinositol 4-kinase 0.039 0.0398 0.9196
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0582 0.0733 0.0733
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.039 0.0398 0.0398
Trichomonas vaginalis PIKK family atypical protein kinase 0.1142 0.1713 0.1713
Plasmodium vivax hypothetical protein, conserved 0.039 0.0398 0.9196
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.045 0.0503 0.0503
Trichomonas vaginalis PIKK family atypical protein kinase 0.039 0.0398 0.0398
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0512 0.0611 0.0611
Trichomonas vaginalis PIKK family atypical protein kinase 0.5885 1 1
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.5885 1 1
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.039 0.0398 0.9196
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0756 0.1038 0.1038
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0582 0.0733 0.0733
Entamoeba histolytica hypothetical protein 0.039 0.0398 0.0398
Echinococcus granulosus serine protein kinase ATM 0.1132 0.1694 0.1694
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0582 0.0733 0.0733
Schistosoma mansoni voltage-gated potassium channel 0.0204 0.0073 0.0073
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.5885 1 1
Trypanosoma cruzi target of rapamycin kinase 3 0.4695 0.7919 0.7919
Toxoplasma gondii non-specific serine/threonine protein kinase 0.126 0.1919 0.2177
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.039 0.0398 0.0398
Trichomonas vaginalis PIKK family atypical protein kinase 0.4388 0.7384 0.7384
Trichomonas vaginalis PIKK family atypical protein kinase 0.3518 0.5863 0.5863
Trichomonas vaginalis PIKK family atypical protein kinase 0.3193 0.5295 0.5295
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.039 0.0398 0.0398
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.039 0.0398 0.0398
Trichomonas vaginalis PIKK family atypical protein kinase 0.4388 0.7384 0.7384
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.041 0.0433 0.0433
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.041 0.0433 0.0433
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.039 0.0398 0.0398
Mycobacterium tuberculosis Conserved hypothetical protein 0.039 0.0398 0.5
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.5885 1 1
Plasmodium falciparum phosphatidylinositol 3-kinase 0.041 0.0433 1
Toxoplasma gondii FATC domain-containing protein 0.1132 0.1694 0.1855
Mycobacterium leprae conserved hypothetical protein 0.039 0.0398 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.4388 0.7384 0.7384
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.2053 0.3303 0.3303
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.041 0.0433 0.0433

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 0.67 mg kg-1 In vivo inhibitory activity against adjuvant induced arthritis in the rat. ChEMBL. 10956225
ED50 (functional) = 7.5 mg kg-1 In vivo inhibitory activity against carrageenan induced paw edema in the rat. ChEMBL. 10956225
ED50 (functional) = 32 mg kg-1 In vivo activity in hyperalgesia models. ChEMBL. 10956225
IC50 (binding) = 6.29 Inhibition of human Prostaglandin G/H synthase 2 ChEMBL. 11563921
IC50 (binding) = 0.51 uM Inhibitory activity against human Prostaglandin G/H synthase 2 ChEMBL. 10956225
IC50 (binding) = 0.51 uM Inhibitory activity against human Prostaglandin G/H synthase 2 ChEMBL. 10956225
IC50 (binding) > 1000 uM Inhibitory activity against Prostaglandin G/H synthase 1 ChEMBL. 10956225
IC50 (binding) > 1000 uM Inhibitory activity against Prostaglandin G/H synthase 1 ChEMBL. 10956225
Inhibition (functional) = 96 % Inhibitory activity against prostaglandin production in rat air-pouch model at 2 mg/kg dose ChEMBL. 10956225
Log IC50 (binding) = 6.29 Inhibition of human Prostaglandin G/H synthase 2 ChEMBL. 11563921
No. of animals with damage (ADMET) = 0 Gastric toxicity in fasted rat at the dose of 100 mg/Kg (ig)(number of animals with damage/number of animals treated=0/6) ChEMBL. 10956225
No. of animals with damage (ADMET) = 0 Intestinal toxicity in fed rat at the dose of 100 mg/Kg (ig)(number of animals with damage/number of animals treated=0/6) ChEMBL. 10956225
Ratio (binding) > 2000 Relative binding to COX-1 and COX-2 (ratio of IC50) ChEMBL. 10956225
Ratio (binding) > 2000 Relative binding to COX-1 and COX-2 (ratio of IC50) ChEMBL. 10956225
T1/2 (ADMET) = 4.96 hr Elimination half-life of the compound in the ratdetermined after intravenous administration of a dose of 10 mg/kg ChEMBL. 10956225

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

2 literature references were collected for this gene.

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