CHEMBL3401634
General
Type : Cyclopropyl,Urea derivative
Chemical_Nomenclature : 3-[4-[1-[[(2R,3S)-2,3-diphenylcyclopropyl]carbamoyl]piperidin-4-yl]oxyphenyl]propanoic acid
Canonical SMILES : C1CN(CCC1OC2=CC=C(C=C2)CCC(=O)O)C(=O)NC3C(C3C4=CC=CC=C4)C5=CC=CC=C5
InChI : InChI=1S\/C30H32N2O4\/c33-26(34)16-13-21-11-14-24(15-12-21)36-25-17-19-32(20-18-25)30(35)31-29-27(22-7-3-1-4-8-22)28(29)23-9-5-2-6-10-23\/h1-12,14-15,25,27-29H,13,16-20H2,(H,31,35)(H,33,34)\/t27-,28+,29?
InChIKey : VQQDJLMIDZHNMF-ULJKERAFSA-N
Other name(s) : BDBM50066845
MW : 484.58
Formula : C30H32N2O4
CAS_number :
PubChem : 91667424
UniChem : VQQDJLMIDZHNMF-ULJKERAFSA-N
IUPHAR :
Wikipedia :
Target
Families : CHEMBL3401634 ligand of proteins in family: Epoxide_hydrolase
Stucture : 4X6X Human soluble epoxide hydrolase in complex with a three substituted cyclopropane derivative
Protein : human-EPHX2
References (1)
| Title : Three-dimensional rational approach to the discovery of potent substituted cyclopropyl urea soluble epoxide hydrolase inhibitors - Takai_2015_Bioorg.Med.Chem.Lett_25_1705 |
| Author(s) : Takai K , Chiyo N , Nakajima T , Nariai T , Ishikawa C , Nakatani S , Ikeno A , Yamamoto S , Sone T |
| Ref : Bioorganic & Medicinal Chemistry Lett , 25 :1705 , 2015 |
| Abstract : Takai_2015_Bioorg.Med.Chem.Lett_25_1705 |
| ESTHER : Takai_2015_Bioorg.Med.Chem.Lett_25_1705 |
| PubMedSearch : Takai_2015_Bioorg.Med.Chem.Lett_25_1705 |
| PubMedID: 25800114 |
| Gene_locus related to this paper: human-EPHX2 |