SCHEMBL3454366
General
Type : Urea derivative,Piperidine
Chemical_Nomenclature : 1-piperidin-4-yl-3-(4-propan-2-ylphenyl)urea
Canonical SMILES : CC(C)C1=CC=C(C=C1)NC(=O)NC2CCNCC2
InChI : InChI=1S\/C15H23N3O\/c1-11(2)12-3-5-13(6-4-12)17-15(19)18-14-7-9-16-10-8-14\/h3-6,11,14,16H,7-10H2,1-2H3,(H2,17,18,19)
InChIKey : MZIRPEKAUVKADV-UHFFFAOYSA-N
Other name(s) : 1-(4-isopropyl-phenyl)-3-piperidin-4-yl-urea
MW : 261.36
Formula : C15H23N3O
CAS_number :
PubChem : 68648690
UniChem : MZIRPEKAUVKADV-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : SCHEMBL3454366 ligand of proteins in family: Epoxide_hydrolase
Stucture :
Protein : human-EPHX2
References (2)
| Title : How Robust Is the Ligand Binding Transition State? - Bose_2023_J.Am.Chem.Soc__ |
| Author(s) : Bose S , Lotz SD , Deb I , Shuck M , Lee KSS , Dickson A |
| Ref : Journal of the American Chemical Society , : , 2023 |
| Abstract : Bose_2023_J.Am.Chem.Soc__ |
| ESTHER : Bose_2023_J.Am.Chem.Soc__ |
| PubMedSearch : Bose_2023_J.Am.Chem.Soc__ |
| PubMedID: 37943667 |
| Gene_locus related to this paper: human-EPHX2 |
| Title : Optimized inhibitors of soluble epoxide hydrolase improve in vitro target residence time and in vivo efficacy - Lee_2014_J.Med.Chem_57_7016 |
| Author(s) : Lee KS , Liu JY , Wagner KM , Pakhomova S , Dong H , Morisseau C , Fu SH , Yang J , Wang P , Ulu A , Mate CA , Nguyen LV , Hwang SH , Edin ML , Mara AA , Wulff H , Newcomer ME , Zeldin DC , Hammock BD |
| Ref : Journal of Medicinal Chemistry , 57 :7016 , 2014 |
| Abstract : Lee_2014_J.Med.Chem_57_7016 |
| ESTHER : Lee_2014_J.Med.Chem_57_7016 |
| PubMedSearch : Lee_2014_J.Med.Chem_57_7016 |
| PubMedID: 25079952 |
| Gene_locus related to this paper: human-EPHX2 |