Detailed information for compound 61934

Basic information

Technical information
  • TDR Targets ID: 61934
  • Name: 2-(3,4-dimethylphenyl)-1-(4-methylsulfonylphe nyl)-4-(trifluoromethyl)imidazole
  • MW: 394.411 | Formula: C19H17F3N2O2S
  • H donors: 0 H acceptors: 3 LogP: 4.22 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1C)c1nc(cn1c1ccc(cc1)S(=O)(=O)C)C(F)(F)F
  • InChi: 1S/C19H17F3N2O2S/c1-12-4-5-14(10-13(12)2)18-23-17(19(20,21)22)11-24(18)15-6-8-16(9-7-15)27(3,25)26/h4-11H,1-3H3
  • InChiKey: DLSZETGYSLQFMY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(3,4-dimethylphenyl)-1-(4-mesylphenyl)-4-(trifluoromethyl)imidazole

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
Loa Loa (eye worm) hypothetical protein 0.028 0.0842 0.082
Echinococcus multilocularis nAChR subunit 0.0425 0.1393 0.1803
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0146 0.0329 0.0306
Brugia malayi Cyclin, N-terminal domain containing protein 0.0087 0.0105 0.0082
Loa Loa (eye worm) hypothetical protein 0.0087 0.0105 0.0082
Brugia malayi hypothetical protein 0.0364 0.116 0.114
Trichomonas vaginalis hypothetical protein 0.0066 0.0023 0.2198
Brugia malayi Integrin alpha pat-2 precursor 0.1202 0.4352 0.4339
Loa Loa (eye worm) hypothetical protein 0.0425 0.1393 0.1373
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0789 0.2781 0.2765
Loa Loa (eye worm) hypothetical protein 0.0682 0.237 0.2353
Trichomonas vaginalis cyclins, putative 0.0087 0.0105 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0177 0.0447 0.0425
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0789 0.2781 0.4544
Loa Loa (eye worm) hypothetical protein 0.0428 0.1402 0.1382
Echinococcus multilocularis G protein coupled receptor 139 0.0319 0.0989 0.127
Loa Loa (eye worm) acetylcholine receptor protein 0.0364 0.116 0.114
Loa Loa (eye worm) hypothetical protein 0.0425 0.1393 0.1373
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0789 0.2781 0.2765
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0364 0.116 0.1496
Echinococcus granulosus serotonin transporter 0.0177 0.0447 0.0557
Loa Loa (eye worm) integrin beta-2 0.2684 1 1
Onchocerca volvulus 0.0789 0.2781 0.4253
Schistosoma mansoni hypothetical protein 0.093 0.3317 0.5454
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0425 0.1393 0.1373
Loa Loa (eye worm) norepinephrine transporter 0.0177 0.0447 0.0425
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0789 0.2781 0.2765
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.1767 0.6509 0.8533
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0789 0.2781 0.3629
Loa Loa (eye worm) hypothetical protein 0.0309 0.0949 0.0928
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0789 0.2781 0.2765
Trypanosoma cruzi cyclin, putative 0.0087 0.0105 0.5
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0293 0.0889 0.133
Loa Loa (eye worm) hypothetical protein 0.0177 0.0447 0.0425
Schistosoma mansoni neurotransmitter gated ion channel 0.0425 0.1393 0.2187
Giardia lamblia G2/mitotic-specific cyclin B 0.0087 0.0105 1
Loa Loa (eye worm) hypothetical protein 0.0364 0.116 0.114
Loa Loa (eye worm) hypothetical protein 0.02 0.0533 0.0512
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0364 0.116 0.1496
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0789 0.2781 0.3629
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.1397 0.5098 0.8478
Schistosoma mansoni nAChR subunit 0.0789 0.2781 0.4544
Loa Loa (eye worm) hypothetical protein 0.0364 0.116 0.114
Treponema pallidum sodium- and chloride- dependent transporter 0.0177 0.0447 0.5
Trichomonas vaginalis cyclin B, putative 0.0087 0.0105 1
Echinococcus multilocularis cyclin B 0.0087 0.0105 0.0108
Loa Loa (eye worm) hypothetical protein 0.0087 0.0105 0.0082
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0789 0.2781 0.3629
Loa Loa (eye worm) hypothetical protein 0.0789 0.2781 0.2765
Loa Loa (eye worm) GABA receptor subunit 0.0425 0.1393 0.1373
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0789 0.2781 0.2765
Onchocerca volvulus 0.0087 0.0105 0.0127
Schistosoma mansoni acetylcholine receptor subunit beta 0.0364 0.116 0.1792
Brugia malayi Integrin alpha cytoplasmic region family protein 0.0682 0.237 0.2353
Schistosoma mansoni neurotransmitter gated ion channel 0.0364 0.116 0.1792
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.0087 0.0105 0.5
Onchocerca volvulus 0.0364 0.116 0.1754
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0425 0.1393 0.2187
Schistosoma mansoni nAChR subunit 0.0789 0.2781 0.4544
Loa Loa (eye worm) hypothetical protein 0.1397 0.5098 0.5086
Echinococcus granulosus glycine receptor subunit beta 0.0789 0.2781 0.3629
Loa Loa (eye worm) hypothetical protein 0.0364 0.116 0.114
Trichomonas vaginalis cyclins, putative 0.0087 0.0105 1
Loa Loa (eye worm) serotonin transporter b 0.0177 0.0447 0.0425
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0789 0.2781 0.3629
Schistosoma mansoni acetylcholine receptor-related 0.0364 0.116 0.1792
Loa Loa (eye worm) hypothetical protein 0.0364 0.116 0.114
Brugia malayi hypothetical protein 0.0428 0.1402 0.1382
Echinococcus multilocularis gamma aminobutyric acid receptor subunit 0.0364 0.116 0.1496
Loa Loa (eye worm) hypothetical protein 0.0789 0.2781 0.2765
Loa Loa (eye worm) hypothetical protein 0.1397 0.5098 0.5086
Loa Loa (eye worm) hypothetical protein 0.1767 0.6509 0.6501
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0789 0.2781 0.2765
Schistosoma mansoni nAChR subunit 0.0789 0.2781 0.4544
Loa Loa (eye worm) hypothetical protein 0.0288 0.087 0.0849
Schistosoma mansoni nAChR subunit 0.0364 0.116 0.1792
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0789 0.2781 0.2765
Schistosoma mansoni integrin beta subunit 0.1632 0.5994 1
Echinococcus multilocularis expressed conserved protein 0.0138 0.0299 0.0363
Echinococcus multilocularis nicotinic acetylcholine receptor subunit type 0.0364 0.116 0.1496
Schistosoma mansoni sodium/chloride dependent transporter 0.0177 0.0447 0.058
Loa Loa (eye worm) hypothetical protein 0.0364 0.116 0.114
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.1767 0.6509 0.8533
Echinococcus granulosus expressed conserved protein 0.0138 0.0299 0.0363
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0789 0.2781 0.2765
Schistosoma mansoni integrin alpha-ps 0.028 0.0842 0.125
Schistosoma mansoni neuropeptide receptor 0.0319 0.0989 0.15
Loa Loa (eye worm) LGC-31 protein 0.0789 0.2781 0.2765
Echinococcus granulosus integrin beta 2 0.206 0.7624 1
Onchocerca volvulus 0.0789 0.2781 0.4253
Trichomonas vaginalis cyclin B, putative 0.0087 0.0105 1
Loa Loa (eye worm) hypothetical protein 0.0789 0.2781 0.2765
Loa Loa (eye worm) hypothetical protein 0.0789 0.2781 0.2765
Loa Loa (eye worm) hypothetical protein 0.0364 0.116 0.114
Brugia malayi Kelch motif family protein 0.0428 0.1402 0.1382
Echinococcus granulosus nAChR subunit 0.0425 0.1393 0.1803
Brugia malayi Cation transporter family protein 0.0789 0.2781 0.2765
Loa Loa (eye worm) hypothetical protein 0.0425 0.1393 0.1373
Loa Loa (eye worm) integrin alpha pat-2 0.1625 0.5966 0.5957
Brugia malayi Cation transporter family protein 0.0789 0.2781 0.2765
Trichomonas vaginalis cyclins, putative 0.0087 0.0105 1
Schistosoma mansoni nAChR subunit 0.0789 0.2781 0.4544
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0789 0.2781 0.2765
Onchocerca volvulus 0.1397 0.5098 0.7824
Schistosoma mansoni calcium-activated potassium channel 0.0653 0.226 0.3659
Echinococcus granulosus neuropeptide receptor 0.0319 0.0989 0.127
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0789 0.2781 0.3629
Loa Loa (eye worm) hypothetical protein 0.0789 0.2781 0.2765
Echinococcus multilocularis integrin alpha 3 0.0921 0.3283 0.4289
Echinococcus granulosus integrin alpha ps 0.0258 0.0757 0.0965
Echinococcus multilocularis integrin beta 2 0.206 0.7624 1
Loa Loa (eye worm) hypothetical protein 0.0789 0.2781 0.2765
Onchocerca volvulus 0.0789 0.2781 0.4253
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0789 0.2781 0.3629
Loa Loa (eye worm) hypothetical protein 0.0146 0.0329 0.0306
Onchocerca volvulus 0.0264 0.0777 0.1162
Loa Loa (eye worm) hypothetical protein 0.0177 0.0447 0.0425
Schistosoma mansoni nAChR subunit 0.0789 0.2781 0.4544
Onchocerca volvulus 0.0177 0.0447 0.0653
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0789 0.2781 0.2765
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0789 0.2781 0.3629
Echinococcus multilocularis integrin alpha ps 0.0258 0.0757 0.0965
Brugia malayi excitatory GABA receptor EXP-1A 0.0789 0.2781 0.2765
Echinococcus multilocularis serotonin transporter 0.0177 0.0447 0.0557
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0789 0.2781 0.2765
Echinococcus granulosus nAChR subunit 0.0789 0.2781 0.3629
Loa Loa (eye worm) hypothetical protein 0.093 0.3317 0.3302
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.1767 0.6509 0.8533
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0789 0.2781 0.4544
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0789 0.2781 0.2765
Schistosoma mansoni nAChR subunit 0.0789 0.2781 0.4544
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0364 0.116 0.114
Loa Loa (eye worm) hypothetical protein 0.0425 0.1393 0.1373
Brugia malayi hypothetical protein 0.0364 0.116 0.114
Echinococcus multilocularis integrin alpha ps 0.0539 0.1826 0.2372
Loa Loa (eye worm) hypothetical protein 0.0789 0.2781 0.2765
Echinococcus granulosus integrin alpha 3 0.0921 0.3283 0.4289
Loa Loa (eye worm) solute carrier family 6 member 4 0.0177 0.0447 0.0425
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.1767 0.6509 0.8533
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0177 0.0447 0.058
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.1767 0.6509 0.6501
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.1767 0.6509 0.8533
Entamoeba histolytica hypothetical protein 0.0425 0.1393 1
Loa Loa (eye worm) hypothetical protein 0.0425 0.1393 0.1373
Echinococcus multilocularis glycine receptor subunit beta 0.0789 0.2781 0.3629
Brugia malayi Cyclin, N-terminal domain containing protein 0.0087 0.0105 0.0082
Brugia malayi Neuronal acetylcholine receptor protein, alpha-2 chain precursor 0.0364 0.116 0.114
Loa Loa (eye worm) hypothetical protein 0.0364 0.116 0.114
Echinococcus granulosus gamma aminobutyric acid receptor subunit 0.0364 0.116 0.1496
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.0425 0.1393 0.2187
Schistosoma mansoni integrin alpha 0.1202 0.4352 0.7212
Loa Loa (eye worm) hypothetical protein 0.0258 0.0757 0.0735
Onchocerca volvulus 0.1397 0.5098 0.7824
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0789 0.2781 0.2765
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0789 0.2781 0.4544
Schistosoma mansoni hypothetical protein 0.0258 0.0757 0.1106
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0789 0.2781 0.3629
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0789 0.2781 0.2765
Onchocerca volvulus 0.1397 0.5098 0.7824
Loa Loa (eye worm) hypothetical protein 0.0789 0.2781 0.2765
Trichomonas vaginalis cyclin B, putative 0.0087 0.0105 1
Onchocerca volvulus 0.0364 0.116 0.1754
Loa Loa (eye worm) hypothetical protein 0.0425 0.1393 0.1373
Loa Loa (eye worm) hypothetical protein 0.0789 0.2781 0.2765
Loa Loa (eye worm) hypothetical protein 0.1033 0.371 0.3695
Trypanosoma cruzi cyclin 6, putative 0.0087 0.0105 0.5
Loa Loa (eye worm) hypothetical protein 0.0943 0.3368 0.3353
Loa Loa (eye worm) hypothetical protein 0.0789 0.2781 0.2765
Loa Loa (eye worm) hypothetical protein 0.0364 0.116 0.114
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.1397 0.5098 0.8478
Onchocerca volvulus 0.02 0.0533 0.0787
Trichomonas vaginalis cyclin A, putative 0.0087 0.0105 1
Loa Loa (eye worm) hypothetical protein 0.0789 0.2781 0.2765
Brugia malayi solute carrier family 40, member 1 0.02 0.0533 0.0512
Loa Loa (eye worm) hypothetical protein 0.0364 0.116 0.114
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0789 0.2781 0.2765
Brugia malayi hypothetical protein 0.0364 0.116 0.114
Brugia malayi Calcitonin receptor-like protein seb-1 0.0146 0.0329 0.0306
Brugia malayi hypothetical protein 0.0364 0.116 0.114
Loa Loa (eye worm) hypothetical protein 0.0288 0.087 0.0849
Loa Loa (eye worm) hypothetical protein 0.0177 0.0447 0.0425
Loa Loa (eye worm) hypothetical protein 0.0789 0.2781 0.2765
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0789 0.2781 0.3629
Loa Loa (eye worm) hypothetical protein 0.0364 0.116 0.114
Echinococcus granulosus glycine receptor subunit beta 0.0789 0.2781 0.3629
Loa Loa (eye worm) hypothetical protein 0.0425 0.1393 0.1373
Echinococcus granulosus small conductance calcium activated potassium 0.093 0.3317 0.4334
Echinococcus granulosus glycine receptor subunit alpha 1 0.0789 0.2781 0.3629
Toxoplasma gondii hypothetical protein 0.0066 0.0023 0.5
Echinococcus granulosus glycine receptor subunit alpha 1 0.0789 0.2781 0.3629
Echinococcus multilocularis integrin alpha ps 0.0539 0.1826 0.2372
Trichomonas vaginalis cyclin B, putative 0.0087 0.0105 1
Schistosoma mansoni nAChR subunit 0.0364 0.116 0.1792
Trichomonas vaginalis cyclins, putative 0.0087 0.0105 1
Loa Loa (eye worm) hypothetical protein 0.0364 0.116 0.114
Schistosoma mansoni nAChR subunit 0.0789 0.2781 0.4544
Trypanosoma cruzi CYC2-like cyclin, putative 0.0087 0.0105 0.5
Loa Loa (eye worm) hypothetical protein 0.0789 0.2781 0.2765
Echinococcus granulosus glycine receptor subunit alpha 1 0.0789 0.2781 0.3629
Loa Loa (eye worm) ACC-1 protein 0.0789 0.2781 0.2765
Brugia malayi Trypsin family protein 0.0288 0.087 0.0849
Loa Loa (eye worm) kelch domain-containing protein family protein 0.0428 0.1402 0.1382
Echinococcus granulosus integrin alpha ps 0.0539 0.1826 0.2372
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0146 0.0329 0.0306
Echinococcus multilocularis nAChR subunit 0.0789 0.2781 0.3629
Loa Loa (eye worm) hypothetical protein 0.0789 0.2781 0.2765
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0789 0.2781 0.2765
Loa Loa (eye worm) hypothetical protein 0.0789 0.2781 0.2765
Brugia malayi Cation transporter family protein 0.1397 0.5098 0.5086
Loa Loa (eye worm) hypothetical protein 0.0425 0.1393 0.1373
Echinococcus multilocularis glycine receptor subunit beta 0.0789 0.2781 0.3629
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0789 0.2781 0.3629
Onchocerca volvulus Putative nachr subunit 0.1767 0.6509 1
Onchocerca volvulus 0.0425 0.1393 0.2113
Loa Loa (eye worm) ACC-1 protein 0.0789 0.2781 0.2765
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0789 0.2781 0.3629
Echinococcus granulosus cyclin B 0.0087 0.0105 0.0108
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0789 0.2781 0.2765
Brugia malayi hypothetical protein 0.0364 0.116 0.114
Loa Loa (eye worm) hypothetical protein 0.0344 0.1083 0.1063
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0789 0.2781 0.4544
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0364 0.116 0.114
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0288 0.087 0.1299
Trypanosoma cruzi cyclin, putative 0.0087 0.0105 0.5
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0425 0.1393 0.1373
Trichomonas vaginalis teneurin and N-acetylglucosamine-1-phosphodiester alpha-N-acetylglucosaminidase, putative 0.0066 0.0023 0.2198
Loa Loa (eye worm) hypothetical protein 0.0663 0.2299 0.2281
Loa Loa (eye worm) hypothetical protein 0.01 0.0153 0.013
Schistosoma mansoni hypothetical protein 0.01 0.0153 0.008
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0364 0.116 0.114
Loa Loa (eye worm) hypothetical protein 0.0364 0.116 0.114
Loa Loa (eye worm) hypothetical protein 0.0364 0.116 0.114
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.1767 0.6509 0.8533
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0425 0.1393 0.1373
Leishmania major cyclin 0.0087 0.0105 0.5
Loa Loa (eye worm) hypothetical protein 0.0244 0.0702 0.0681
Trypanosoma brucei mitotic cyclin 6 0.0087 0.0105 0.5
Schistosoma mansoni integrin alpha-ps 0.0539 0.1826 0.2922
Schistosoma mansoni neurotransmitter gated ion channel 0.0364 0.116 0.1792
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0789 0.2781 0.2765
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.1767 0.6509 0.6501
Echinococcus multilocularis neuropeptide receptor 0.0319 0.0989 0.127
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0364 0.116 0.114
Brugia malayi Acetylcholine receptor protein, alpha-like chain 1 precursor 0.0364 0.116 0.114
Brugia malayi latrophilin 2 splice variant baaae 0.01 0.0153 0.013
Schistosoma mansoni calcium-activated potassium channel 0.093 0.3317 0.5454
Echinococcus multilocularis small conductance calcium activated potassium 0.093 0.3317 0.4334
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0364 0.116 0.114
Onchocerca volvulus 0.0364 0.116 0.1754
Loa Loa (eye worm) neuronal acetylcholine receptor protein 0.0364 0.116 0.114
Loa Loa (eye worm) hypothetical protein 0.0364 0.116 0.114
Onchocerca volvulus 0.0425 0.1393 0.2113
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0789 0.2781 0.2765
Onchocerca volvulus 0.0288 0.087 0.1306
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0789 0.2781 0.2765
Loa Loa (eye worm) hypothetical protein 0.0789 0.2781 0.2765
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0425 0.1393 0.1373
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0789 0.2781 0.3629
Loa Loa (eye worm) hypothetical protein 0.0364 0.116 0.114

Activities

Activity type Activity value Assay description Source Reference
-Log IC50 (binding) = 0.42 Inhibitory activity against prostaglandin G/H synthase 2 (COX-2) ChEMBL. 12383010
IC50 (binding) = 0.42 Inhibitory activity against prostaglandin G/H synthase 2 (COX-2) ChEMBL. 12383010
IC50 (binding) = 6.48 Inhibition of human Prostaglandin G/H synthase 2 ChEMBL. 11563921
IC50 (binding) = 0.33 uM Concentration required to inhibit human Prostaglandin G/H synthase 2 (COX-2) by 50% ChEMBL. 9171873
IC50 (binding) = 0.33 uM Concentration required to inhibit human Prostaglandin G/H synthase 2 (COX-2) by 50% ChEMBL. 9171873
IC50 (binding) = 30 uM Concentration required to inhibit human prostaglandin G/H synthase 1 (COX-1) by 50% ChEMBL. 9171873
IC50 (binding) = 30 uM Concentration required to inhibit human prostaglandin G/H synthase 1 (COX-1) by 50% ChEMBL. 9171873
Inhibition (functional) = 15 % In vivo inhibition of prostaglandin production at screening dosage of 2 mpk in carrageenan - induced air pouch model in rat ChEMBL. 9171873
Log IC50 (binding) = 6.48 Inhibition of human Prostaglandin G/H synthase 2 ChEMBL. 11563921
Ratio (binding) = 91 IC50 ratio measured as the IC50 of COX-1 to that of COX-2 ChEMBL. 9171873
Ratio (binding) = 91 IC50 ratio measured as the IC50 of COX-1 to that of COX-2 ChEMBL. 9171873

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.
 
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External resources for this compound

Bibliographic References

3 literature references were collected for this gene.

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