Inhibitor Report for: Diclofenac-derivative-39
| Diclofenac-derivative-39 | Type | Monoamine-oxidase-inhibitor |
|---|
| | Multitarget |
| | 5-Lipoxygenase inhibitor |
| | Sulfur compound |
| | Sulfonamide |
| | Pyrazole |
| Chemical_Nomenclature | N-{4-[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}-2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetamide |
| Formula | C35H28Cl3N5O3S |
| MW | 705.05 |
|  |
| Paper | Javed_2022_RSC.Adv_12_22503 |
| Comment | Compound 39 emerged as the most potent multitarget ligand with IC50 values of 0.03 microM, 0.91 microM, 0.61 microM, 0.01 microM 0.60 microM and 0.98 microM towards AChE, BChE, MAO-A, MAO-B, COX-2 and 5-LOX respectively |
| Gene_locus | human-ACHE |
| Family | ACHE |
| InChIKey | LHLNAHCGFHANGR-UHFFFAOYSA-N |
| CanonicalSMILES | C1(=C(C=CC=C1Cl)Cl)NC2=CC=CC=C2CC(=O)NC3=CC=C(C=C3)C4=NN(C(C4)C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)[S](=O)(=O)N |
| InChI | InChI=1S/C35H28Cl3N5O3S/c36-25-12-8-23(9-13-25)33-21-32(42-43(33)27-16-18-28(19-17-27)47(39,45)46)22-10-14-26(15-11-22)40-34(44)20-24-4-1-2-7-31(24)41-35-29(37)5-3-6-30(35)38/h1-19,33,41H,20-21H2,(H,40,44)(H2,39,45,46) |
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