Detailed information for compound 37592

Basic information

Technical information
  • TDR Targets ID: 37592
  • Name: 4-[5-(2-chlorophenyl)-3-(trifluoromethyl)pyra zol-1-yl]benzenesulfonamide
  • MW: 401.791 | Formula: C16H11ClF3N3O2S
  • H donors: 1 H acceptors: 3 LogP: 3.67 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccccc1c1cc(nn1c1ccc(cc1)S(=O)(=O)N)C(F)(F)F
  • InChi: 1S/C16H11ClF3N3O2S/c17-13-4-2-1-3-12(13)14-9-15(16(18,19)20)22-23(14)10-5-7-11(8-6-10)26(21,24)25/h1-9H,(H2,21,24,25)
  • InChiKey: COJVSUCMGPNJHG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[5-(2-chlorophenyl)-3-(trifluoromethyl)-1-pyrazolyl]benzenesulfonamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus prostaglandin-endoperoxide synthase 2 Starlite/ChEMBL References
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
Toxoplasma gondii subtilisin SUB12 0.0042 0.0253 0.0226
Toxoplasma gondii PAN domain-containing protein 0.033 0.5676 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0036 0.0145 0.0641
Loa Loa (eye worm) PAN domain-containing protein 0.0035 0.0128 0.0164
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0036 0.0145 0.0641
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0441 0.7777 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.0656 0.0844
Onchocerca volvulus 0.0036 0.0145 0.0877
Trichomonas vaginalis cyclin B, putative 0.0042 0.0249 0.1102
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0027 0.012
Trichomonas vaginalis neuroendocrine convertase 2 precursor, putative 0.003 0.0027 0.012
Echinococcus multilocularis 0.0125 0.1825 0.1705
Brugia malayi PAN domain containing protein 0.0035 0.0128 0.0164
Echinococcus granulosus cathepsin l1 0.0036 0.0145 0.0145
Schistosoma mansoni cathepsin F (C01 family) 0.0036 0.0145 0.0186
Onchocerca volvulus 0.0036 0.0145 0.0877
Trypanosoma cruzi cysteine peptidase, putative 0.0036 0.0145 0.0186
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0037 0.0152 0.0675
Trypanosoma brucei cysteine peptidase C (CPC) 0.0149 0.2259 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0036 0.0145 0.0641
Loa Loa (eye worm) TK/ROR protein kinase 0.0062 0.0632 0.0812
Loa Loa (eye worm) hypothetical protein 0.0042 0.0249 0.032
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0036 0.0145 0.0186
Loa Loa (eye worm) animal heme peroxidase 0.0063 0.0656 0.0844
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.0042 0.0249 0.0493
Echinococcus multilocularis tissue type plasminogen activator 0.0062 0.0632 0.0494
Loa Loa (eye worm) hypothetical protein 0.0063 0.0656 0.0844
Loa Loa (eye worm) fibroinase 0.0036 0.0145 0.0186
Onchocerca volvulus 0.0063 0.0656 0.398
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0037 0.0152 0.0675
Brugia malayi PAN domain containing protein 0.0035 0.0128 0.0164
Onchocerca volvulus 0.0036 0.0145 0.0877
Brugia malayi PAN domain containing protein 0.0035 0.0128 0.0164
Trichomonas vaginalis cyclins, putative 0.0042 0.0249 0.1102
Schistosoma mansoni peroxidasin 0.0063 0.0656 0.0844
Trichomonas vaginalis cyclin A, putative 0.0042 0.0249 0.1102
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0036 0.0145 0.0641
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0095 0.1242 0.5498
Onchocerca volvulus 0.0063 0.0656 0.398
Loa Loa (eye worm) hypothetical protein 0.0063 0.0656 0.0844
Loa Loa (eye worm) hypothetical protein 0.0035 0.0128 0.0164
Toxoplasma gondii cathepsin B 0.0149 0.2259 0.384
Echinococcus multilocularis cyclin B 0.0042 0.0249 0.0106
Loa Loa (eye worm) hypothetical protein 0.0063 0.0656 0.0844
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0061 0.0605 0.0467
Echinococcus multilocularis peroxidasin 0.0063 0.0656 0.0519
Brugia malayi Trypsin family protein 0.0116 0.1649 0.2121
Echinococcus multilocularis calpain family protein 1, d 0.0043 0.0266 0.0123
Onchocerca volvulus 0.0035 0.0128 0.0775
Brugia malayi hypothetical protein 0.0063 0.0656 0.0844
Brugia malayi Animal haem peroxidase family protein 0.0063 0.0656 0.0844
Trichomonas vaginalis cyclins, putative 0.0042 0.0249 0.1102
Loa Loa (eye worm) hypothetical protein 0.0116 0.1649 0.2121
Loa Loa (eye worm) hypothetical protein 0.0063 0.0656 0.0844
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0441 0.7777 1
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0027 0.012
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0036 0.0145 0.0186
Loa Loa (eye worm) hypothetical protein 0.0035 0.0128 0.0164
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0036 0.0145 0.0641
Echinococcus multilocularis calpain A 0.0061 0.0605 0.0467
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0036 0.0145 0.0641
Onchocerca volvulus Peroxidase homolog 0.0063 0.0656 0.398
Trypanosoma cruzi cysteine peptidase, putative 0.0036 0.0145 0.0186
Brugia malayi PAN domain containing protein 0.0035 0.0128 0.0164
Trichomonas vaginalis hypothetical protein 0.003 0.0027 0.012
Loa Loa (eye worm) hypothetical protein 0.0052 0.0431 0.0554
Onchocerca volvulus 0.0042 0.0249 0.1509
Brugia malayi PAN domain containing protein 0.0035 0.0128 0.0164
Loa Loa (eye worm) hypothetical protein 0.0035 0.0128 0.0164
Onchocerca volvulus 0.0036 0.0145 0.0877
Brugia malayi Cathepsin L-like precursor 0.0036 0.0145 0.0186
Brugia malayi Cathepsin L-like precursor 0.0036 0.0145 0.0186
Brugia malayi Animal haem peroxidase family protein 0.0063 0.0656 0.0844
Trichomonas vaginalis cyclin B, putative 0.0042 0.0249 0.1102
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0037 0.0152 0.0675
Brugia malayi Animal haem peroxidase family protein 0.0063 0.0656 0.0844
Giardia lamblia Cathepsin B precursor 0.0149 0.2259 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0128 0.0164
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0149 0.2259 1
Brugia malayi PAN domain containing protein 0.0035 0.0128 0.0164
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0036 0.0145 0.0641
Toxoplasma gondii cathepsin CPL 0.0036 0.0145 0.003
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.0156 0.2392 0.3076
Onchocerca volvulus Peroxidasin homolog 0.0063 0.0656 0.398
Echinococcus multilocularis Furin 1 0.0037 0.0152 0.0008
Trypanosoma cruzi hypothetical protein, conserved 0.0062 0.0632 0.0812
Schistosoma mansoni cathepsin F (C01 family) 0.0036 0.0145 0.0186
Entamoeba histolytica cysteine proteinase, putative 0.0036 0.0145 0.5814
Brugia malayi Peroxidasin 0.0063 0.0656 0.0844
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0036 0.0145 0.0641
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0036 0.0145 0.0641
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0027 0.012
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0037 0.0152 0.0675
Onchocerca volvulus 0.0035 0.0128 0.0775
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0027 0.012
Echinococcus multilocularis proprotein convertase subtilisin:kexin type 5 0.0095 0.1242 0.1113
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0027 0.012
Leishmania major cyclin 0.0042 0.0249 0.0493
Brugia malayi celfurPC protein 0.0125 0.1825 0.2346
Loa Loa (eye worm) animal heme peroxidase 0.0063 0.0656 0.0844
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0037 0.0152 0.0675
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0027 0.012
Loa Loa (eye worm) blistered cuticle protein 3 0.0063 0.0656 0.0844
Loa Loa (eye worm) hypothetical protein 0.0063 0.0656 0.0844
Loa Loa (eye worm) hypothetical protein 0.0043 0.0266 0.0342
Echinococcus granulosus Furin 1 0.0037 0.0152 0.0152
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0116 0.1649 0.2121
Echinococcus multilocularis cathepsin b 0.0441 0.7777 0.7744
Onchocerca volvulus 0.0035 0.0128 0.0775
Onchocerca volvulus 0.0035 0.0128 0.0775
Echinococcus granulosus cathepsin b 0.0441 0.7777 0.7777
Loa Loa (eye worm) hypothetical protein 0.0042 0.0249 0.032
Giardia lamblia G2/mitotic-specific cyclin B 0.0042 0.0249 0.0994
Loa Loa (eye worm) hypothetical protein 0.0441 0.7777 1
Brugia malayi proprotein convertase 2 0.0098 0.1302 0.1675
Brugia malayi Cathepsin L-like precursor 0.0036 0.0145 0.0186
Loa Loa (eye worm) hypothetical protein 0.0036 0.0145 0.0186
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0027 0.012
Onchocerca volvulus Peroxidase homolog 0.0063 0.0656 0.398
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0036 0.0145 0.0641
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0058 0.0555 0.0714
Loa Loa (eye worm) hypothetical protein 0.0058 0.0555 0.0714
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0149 0.2259 0.2904
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0036 0.0145 0.0641
Giardia lamblia Cathepsin B precursor 0.0149 0.2259 1
Onchocerca volvulus Cathepsin L homolog 0.0036 0.0145 0.0877
Brugia malayi Cyclin, N-terminal domain containing protein 0.0042 0.0249 0.032
Loa Loa (eye worm) PAN domain-containing protein 0.0035 0.0128 0.0164
Loa Loa (eye worm) hypothetical protein 0.0063 0.0656 0.0844
Brugia malayi endoprotease bli-4 precursor 0.0156 0.2392 0.3076
Brugia malayi Kringle domain containing protein 0.0062 0.0632 0.0812
Loa Loa (eye worm) hypothetical protein 0.0063 0.0656 0.0844
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0036 0.0145 0.0641
Echinococcus multilocularis cathepsin b 0.0441 0.7777 0.7744
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0116 0.1649 0.2121
Onchocerca volvulus 0.0035 0.0128 0.0775
Onchocerca volvulus 0.0116 0.1649 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.0656 0.0844
Onchocerca volvulus 0.0035 0.0128 0.0775
Plasmodium falciparum cysteine repeat modular protein 1 0.0062 0.0632 1
Onchocerca volvulus 0.0035 0.0128 0.0775
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0036 0.0145 0.0641
Schistosoma mansoni hypothetical protein 0.0062 0.0632 0.0812
Loa Loa (eye worm) hypothetical protein 0.0063 0.0656 0.0844
Echinococcus granulosus tissue type plasminogen activator 0.0062 0.0632 0.0632
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0036 0.0145 0.0641
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0441 0.7777 1
Loa Loa (eye worm) hypothetical protein 0.0116 0.1649 0.2121
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0095 0.1242 0.5498
Loa Loa (eye worm) animal heme peroxidase 0.0063 0.0656 0.0844
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0036 0.0145 0.0641
Trichomonas vaginalis cyclin B, putative 0.0042 0.0249 0.1102
Brugia malayi Protein kinase domain containing protein 0.0062 0.0632 0.0812
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0037 0.0152 0.0675
Brugia malayi calpain family protein 1 0.0058 0.0555 0.0714
Leishmania major hypothetical protein, conserved 0.0062 0.0632 0.2305
Brugia malayi Cathepsin L-like precursor 0.0036 0.0145 0.0186
Onchocerca volvulus 0.0035 0.0128 0.0775
Onchocerca volvulus 0.0036 0.0145 0.0877
Onchocerca volvulus 0.0035 0.0128 0.0775
Toxoplasma gondii PAN domain-containing protein 0.033 0.5676 1
Onchocerca volvulus 0.0062 0.0632 0.3831
Onchocerca volvulus 0.0035 0.0128 0.0775
Echinococcus granulosus cathepsin b 0.0441 0.7777 0.7777
Loa Loa (eye worm) hypothetical protein 0.0063 0.0656 0.0844
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0441 0.7777 1
Brugia malayi Animal haem peroxidase family protein 0.0063 0.0656 0.0844
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0036 0.0145 0.0641
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0036 0.0145 0.0641
Onchocerca volvulus 0.0063 0.0656 0.398
Schistosoma mansoni hypothetical protein 0.003 0.0027 0.0035
Brugia malayi Cathepsin L-like precursor 0.0036 0.0145 0.0186
Loa Loa (eye worm) hypothetical protein 0.0063 0.0656 0.0844
Loa Loa (eye worm) hypothetical protein 0.0061 0.061 0.0784
Schistosoma mansoni cyclin B 0.0042 0.0249 0.032
Trichomonas vaginalis cyclins, putative 0.0042 0.0249 0.1102
Onchocerca volvulus 0.0094 0.1231 0.7462
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0027 0.012
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0061 0.0605 0.0605
Echinococcus granulosus furin 0.0156 0.2392 0.2392
Trypanosoma brucei mitotic cyclin 6 0.0042 0.0249 0.0493
Trichomonas vaginalis leucine-rich repeat protein, BspA family 0.003 0.0027 0.012
Loa Loa (eye worm) animal heme peroxidase 0.0063 0.0656 0.0844
Echinococcus granulosus peroxidasin 0.0063 0.0656 0.0656
Loa Loa (eye worm) hypothetical protein 0.0036 0.0142 0.0183
Loa Loa (eye worm) calpain family protein 1 0.0043 0.0266 0.0342
Loa Loa (eye worm) hypothetical protein 0.0156 0.2392 0.3076
Loa Loa (eye worm) calpain family protein 1 0.0058 0.0555 0.0714
Loa Loa (eye worm) PAN domain-containing protein 0.0035 0.0128 0.0164
Entamoeba histolytica cysteine proteinase, putative 0.0036 0.0145 0.5814
Loa Loa (eye worm) PAN domain-containing protein 0.0035 0.0128 0.0164
Schistosoma mansoni subfamily S8B non-peptidase homologue (S08 family) 0.0037 0.0152 0.0196
Toxoplasma gondii kringle domain-containing protein 0.0062 0.0632 0.0908
Trypanosoma cruzi cysteine peptidase, putative 0.0036 0.0145 0.0186
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0149 0.2259 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.0656 0.0844
Entamoeba histolytica cysteine protease, putative 0.0036 0.0145 0.5814
Brugia malayi PAN domain containing protein 0.0035 0.0128 0.0164
Onchocerca volvulus 0.0036 0.0142 0.0862
Onchocerca volvulus Chorion peroxidase homolog 0.0063 0.0656 0.398
Echinococcus granulosus neuroendocrine convertase 2 0.0098 0.1302 0.1302
Echinococcus granulosus cyclin B 0.0042 0.0249 0.0249
Onchocerca volvulus Dual oxidase homolog 0.0063 0.0656 0.398
Loa Loa (eye worm) hypothetical protein 0.0035 0.0128 0.0164
Giardia lamblia High cysteine membrane protein Group 2 0.0058 0.0549 0.2341
Loa Loa (eye worm) ctsf protein 0.0036 0.0145 0.0186
Brugia malayi PAN domain containing protein 0.0035 0.0128 0.0164
Brugia malayi Papain family cysteine protease containing protein 0.0036 0.0145 0.0186
Loa Loa (eye worm) hypothetical protein 0.0035 0.0128 0.0164
Onchocerca volvulus Cathepsin F homolog 0.0036 0.0145 0.0877
Brugia malayi neuroendocrine convertase 1 precursor 0.0098 0.1302 0.1675
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0061 0.0605 0.0778
Loa Loa (eye worm) cathepsin B 0.0149 0.2259 0.2904
Trypanosoma cruzi CYC2-like cyclin, putative 0.0042 0.0249 0.032
Trichomonas vaginalis cyclin B, putative 0.0042 0.0249 0.1102
Onchocerca volvulus 0.0036 0.0145 0.0877
Onchocerca volvulus 0.0036 0.0145 0.0877
Echinococcus granulosus cathepsin L cysteine proteinase 0.0036 0.0145 0.0145
Echinococcus multilocularis neuroendocrine convertase 2 0.0098 0.1302 0.1175
Loa Loa (eye worm) hypothetical protein 0.0035 0.0128 0.0164
Brugia malayi Cathepsin L-like precursor 0.0036 0.0145 0.0186
Loa Loa (eye worm) hypothetical protein 0.0063 0.0656 0.0844
Onchocerca volvulus Cathepsin L homolog 0.0036 0.0145 0.0877
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0062 0.0632 1
Trypanosoma cruzi cysteine peptidase, putative 0.0036 0.0145 0.0186
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0036 0.0145 0.0641
Loa Loa (eye worm) hypothetical protein 0.0062 0.0632 0.0812
Onchocerca volvulus Peroxidasin homolog 0.0063 0.0656 0.398
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0441 0.7777 1
Loa Loa (eye worm) endoprotease bli-4 0.0156 0.2392 0.3076
Loa Loa (eye worm) proprotein convertase 2 0.0037 0.0152 0.0196
Brugia malayi PAN domain containing protein 0.0035 0.0128 0.0164
Onchocerca volvulus 0.0035 0.0128 0.0775
Trichomonas vaginalis proprotein convertase subtilisin/kexin type, putative 0.003 0.0027 0.012
Brugia malayi Cyclin, N-terminal domain containing protein 0.0042 0.0249 0.032
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0036 0.0145 0.0641
Brugia malayi PAN domain containing protein 0.0035 0.0128 0.0164
Brugia malayi calpain family protein 1 0.0058 0.0555 0.0714
Echinococcus granulosus calpain A 0.0061 0.0605 0.0605
Entamoeba histolytica cyclin, putative 0.0042 0.0249 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0149 0.2259 0.2904
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0027 0.012
Schistosoma mansoni furin-1 (S08 family) 0.0068 0.0735 0.0945
Echinococcus granulosus cathepsin l cysteine peptidase 0.0036 0.0145 0.0145
Schistosoma mansoni peroxidasin 0.0063 0.0656 0.0844
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0559 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0036 0.0145 0.0641
Loa Loa (eye worm) cysteine protease 0.0036 0.0145 0.0186
Brugia malayi Blistered cuticle protein 3 0.0063 0.0656 0.0844
Trypanosoma cruzi cyclin, putative 0.0042 0.0249 0.032
Trichomonas vaginalis cyclins, putative 0.0042 0.0249 0.1102
Trypanosoma cruzi cruzipain precursor, putative 0.0036 0.0145 0.0186
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0036 0.0145 0.0641
Giardia lamblia Cathepsin B precursor 0.0149 0.2259 1
Trypanosoma cruzi cyclin 6, putative 0.0042 0.0249 0.032
Echinococcus granulosus proprotein convertase subtilisin:kexin type 5 0.0095 0.1242 0.1242
Brugia malayi cathepsin B-like cysteine proteinase 0.0441 0.7777 1
Brugia malayi Animal haem peroxidase family protein 0.0063 0.0656 0.0844
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0036 0.0145 0.0641
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0027 0.012
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0027 0.012
Loa Loa (eye worm) PAN domain-containing protein 0.0035 0.0128 0.0164
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0036 0.0145 0.0641
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0061 0.0605 0.0778
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0036 0.0145 0.0641
Trypanosoma cruzi cyclin, putative 0.0042 0.0249 0.032
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0036 0.0145 0.0641

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 4.5 Inhibitory activity against prostaglandin G/H synthase 1 (COX-1) ChEMBL. 12383007
IC50 (binding) = 7.25 Inhibition of human Prostaglandin G/H synthase 2 ChEMBL. 11563921
IC50 (binding) = 7.25 Inhibitory activity against prostaglandin G/H synthase 2 (COX-2) ChEMBL. 12383007
IC50 (binding) = 0.056 uM Inhibitory concentration against human prostaglandin G/H synthase 2 at 25 degrees. ChEMBL. 11814774
IC50 (binding) = 0.056 uM In vitro inhibitory concentration required to block human recombinant prostaglandin G/H synthase 2 (COX-2) ChEMBL. 9135032
IC50 (binding) = 0.056 uM Inhibitory concentration against human prostaglandin G/H synthase 2 at 25 degrees. ChEMBL. 11814774
IC50 (binding) = 0.056 uM In vitro inhibitory concentration required to block human recombinant prostaglandin G/H synthase 2 (COX-2) ChEMBL. 9135032
IC50 (binding) = 31.3 uM In vitro inhibitory concentration required to block recombinant human prostaglandin G/H synthase 1 (COX-1) ChEMBL. 9135032
IC50 (binding) = 31.3 uM In vitro inhibitory concentration required to block recombinant human prostaglandin G/H synthase 1 (COX-1) ChEMBL. 9135032
Ki (binding) = 1.06 Inhibitory constant against prostaglandin G/H synthase 2 (COX-2) ChEMBL. 12383007
Ki (binding) = 1.06 Inhibitory constant against prostaglandin G/H synthase 2 (COX-2) ChEMBL. 12383007
Ki (binding) = 4.1 Inhibitory constant against prostaglandin G/H synthase 1 (COX-1) ChEMBL. 12383007
Log IC50 (binding) = 4.5 Inhibitory activity against prostaglandin G/H synthase 1 (COX-1) ChEMBL. 12383007
Log IC50 (binding) = 7.25 Inhibition of human Prostaglandin G/H synthase 2 ChEMBL. 11563921
Log IC50 (binding) = 7.25 Inhibitory activity against prostaglandin G/H synthase 2 (COX-2) ChEMBL. 12383007
Selectivity (binding) = 2.75 Selectivity as log (IC50[COX-1]/IC50[COX-2]). ChEMBL. 12383007

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

4 literature references were collected for this gene.

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