Dihydroindole-thiourea-73
IC50 0.41 +/- 0.01 microM for 5-LOX and IC50 0.43 +/- 0.10 microM for sEH
General
Type : Indole,Urea derivative,Multitarget,5-Lipoxygenase inhibitor,Sulfur Compound
Chemical_Nomenclature : 1-Neopentyl-3-(1-(4-nitrosobenzyl)indolin-5-yl)thiourea
Canonical SMILES : N(C(NC1=CC=C2C(=C1)CCN2CC3=CC=C(C=C3)N=O)=S)CC(C)(C)C
InChI : InChI=1S\/C21H26N4OS\/c1-21(2,3)14-22-20(27)23-18-8-9-19-16(12-18)10-11-25(19)13-15-4-6-17(24-26)7-5-15\/h4-9,12H,10-11,13-14H2,1-3H3,(H2,22,23,27)
InChIKey : WPRKZXRSIVTSOS-UHFFFAOYSA-N
Other name(s) :
MW : 382.52
Formula : C21H26N4OS
CAS_number :
PubChem :
UniChem : WPRKZXRSIVTSOS-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : Dihydroindole-thiourea-73 ligand of proteins in family: Epoxide_hydrolase
Stucture :
Protein : human-EPHX2
References (1)
| Title : Discovery and Optimization of Indoline-Based Compounds as Dual 5-LOX\/sEH Inhibitors: In Vitro and In Vivo Anti-Inflammatory Characterization - Cerqua_2022_J.Med.Chem__ |
| Author(s) : Cerqua I , Musella S , Peltner LK , D'Avino D , Di Sarno V , Granato E , Vestuto V , Di Matteo R , Pace S , Ciaglia T , Bilancia R , Smaldone G , Di Matteo F , Di Micco S , Bifulco G , Pepe G , Basilicata MG , Rodriquez M , Gomez-Monterrey IM , Campiglia P , Ostacolo C , Roviezzo F , Werz O , Rossi A , Bertamino A |
| Ref : Journal of Medicinal Chemistry , : , 2022 |
| Abstract : Cerqua_2022_J.Med.Chem__ |
| ESTHER : Cerqua_2022_J.Med.Chem__ |
| PubMedSearch : Cerqua_2022_J.Med.Chem__ |
| PubMedID: 36318728 |