Diclofenac-derivative-39
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
General
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
Canonical SMILES : 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)
InChIKey : LHLNAHCGFHANGR-UHFFFAOYSA-N
Other name(s) :
MW : 705.05
Formula : C35H28Cl3N5O3S
CAS_number :
PubChem :
UniChem : LHLNAHCGFHANGR-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : Diclofenac-derivative-39 ligand of proteins in family: ACHE
Stucture :
Protein : human-ACHE
References (1)
| Title : Diclofenac derivatives as concomitant inhibitors of cholinesterase, monoamine oxidase, cyclooxygenase-2 and 5-lipoxygenase for the treatment of Alzheimer's disease: synthesis, pharmacology, toxicity and docking studies - Javed_2022_RSC.Adv_12_22503 |
| Author(s) : Javed MA , Bibi S , Jan MS , Ikram M , Zaidi A , Farooq U , Sadiq A , Rashid U |
| Ref : RSC Adv , 12 :22503 , 2022 |
| Abstract : Javed_2022_RSC.Adv_12_22503 |
| ESTHER : Javed_2022_RSC.Adv_12_22503 |
| PubMedSearch : Javed_2022_RSC.Adv_12_22503 |
| PubMedID: 36105972 |