CHEMBL5425833-CpdG1
hsEH IC50 = 0.05 nM; msEH IC50 = 0.14 nM
General
Type : Urea derivative, Diazepan, Azepane, Piperidine, Adamantyl
Chemical_Nomenclature : 1-[(3S,5R)-3,5-dimethyl-1-adamantyl]-3-[2-fluoro-4-[[3-(4-propanoyl-1,4-diazepane-1-carbonyl)piperidin-1-yl]methyl]phenyl]urea
Canonical SMILES : CCC(=O)N1CCCN(CC1)C(=O)C2CCCN(C2)CC3=CC(=C(C=C3)NC(=O)NC45CC6C[C@@](C4)(C[C@](C6)(C5)C)C)F
InChI : InChI=1S\/C34H50FN5O3\/c1-4-29(41)39-11-6-12-40(14-13-39)30(42)26-7-5-10-38(20-26)19-24-8-9-28(27(35)15-24)36-31(43)37-34-18-25-16-32(2,22-34)21-33(3,17-25)23-34\/h8-9,15,25-26H,4-7,10-14,16-23H2,1-3H3,(H2,36,37,43)\/t25?,26?,32-,33+,34?
InChIKey : DMRRTPHESRMGJC-XZSPZLOLSA-N
Other name(s) : 1-((1r,3R,5S,7r)-3,5-Dimethyladamantan-1-yl)-3-(2-fluoro-4-((3-(4-propionyl-1,4-diazepane-1-carbonyl)piperidin-1-yl)methyl)phenyl)urea || CHEMBL5425833 || compound G1 [PMID: 36689364] || GTPL12354 || BDBM50631945
MW : 595.8
Formula : C34H50FN5O3
CAS_number :
PubChem : 167993638
UniChem : DMRRTPHESRMGJC-XZSPZLOLSA-N
Target
Families : CHEMBL5425833-CpdG1 ligand of proteins in family
Epoxide_hydrolase
Protein :
mouse-hyes
human-EPHX2
References (1)
| Title : Structure-Directed Discovery of Potent Soluble Epoxide Hydrolase Inhibitors for the Treatment of Inflammatory Diseases - Chen_2023_J.Med.Chem__ |
| Author(s) : Chen Y , Chen L , Xu H , Cao R , Morisseau C , Zhang M , Shi Y , Hammock BD , Wang J , Zhuang J , Liu Z , Chen G |
| Ref : Journal of Medicinal Chemistry , : , 2023 |
| Abstract : |
| PubMedSearch : Chen_2023_J.Med.Chem__ |
| PubMedID: 36689364 |