UB-BJ-05
General
Type : Piperidine, Urea derivative
Chemical_Nomenclature : (2,3-dimethoxy-5,6,8,9,10,11-hexahydro-7H-5,9:7,11-dimethanobenzo[9]annulen-7-yl)-3-(1-(tetrahydro-2H-pyran-4-carbonyl)piperidin-4-yl)urea
Canonical SMILES : C1(=CC2=C(C=C1OC)C3CC4(CC2CC(C3)(C4)NC(=O)NC5CCN(CC5)C(=O)C6CCOCC6)C)OC
InChI : InChI=1S\/C30H43N3O5\/c1-29-14-20-16-30(18-29,17-21(15-29)24-13-26(37-3)25(36-2)12-23(20)24)32-28(35)31-22-4-8-33(9-5-22)27(34)19-6-10-38-11-7-19\/h12-13,19-22H,4-11,14-18H2,1-3H3,(H2,31,32,35)
InChIKey : VLPVTKWHYLFBTG-UHFFFAOYSA-N
Other name(s) : A1H8Y || BDBM679459 || US20240182406, Example 5
Target
Families : UB-BJ-05 ligand of proteins in family
Epoxide_hydrolase
Structure :
9F1A
Protein :
human-EPHX2
References (1)
| Title : Synthesis, In Vitro Profiling, and In Vivo Evaluation of Benzohomoadamantane-Based Ureas for Visceral Pain: A New Indication for Soluble Epoxide Hydrolase Inhibitors - Codony_2022_J.Med.Chem_65_13660 |
| Author(s) : Codony S , Entrena JM , Calvo-Tusell C , Jora B , Gonzalez-Cano R , Osuna S , Corpas R , Morisseau C , Perez B , Barniol-Xicota M , Grinan-Ferre C , Perez C , Rodriguez-Franco MI , Martinez AL , Loza MI , Pallas M , Verhelst SHL , Sanfeliu C , Feixas F , Hammock BD , Brea J , Cobos EJ , Vazquez S |
| Ref : Journal of Medicinal Chemistry , 65 :13660 , 2022 |
| Abstract : |
| PubMedSearch : Codony_2022_J.Med.Chem_65_13660 |
| PubMedID: 36222708 |