Inhibitor Report for: CHEMBL3633668
CHEMBL3633668 | Type | Urea derivative |
| | Adamantyl |
| Other_Name | 1-adamantyl-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]urea |
| | 3c |
| | BDBM50133694 |
| | 1-(adamant-1-ylmethyl)-3-{[5-(furan-2-yl)isoxazol-3-yl]methyl}urea |
| Chemical_Nomenclature | 1-(1-adamantylmethyl)-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]urea |
| Formula | C20H25N3O3 |
| MW | 355.4 |
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| Paper | Burmistrov_2015_Bioorg.Med.Chem.Lett_25_5514 |
| | Butov_2015_Chem.Heterocycl.Comp_50_171 |
| Comment | IC50 0.0049 microM |
| Gene_locus | human-EPHX2 |
| CID | 122195457 |
| Family | Epoxide_hydrolase |
| InChIKey | RFNSZVQQDQMILH-UHFFFAOYSA-N |
| CanonicalSMILES | C1C2CC3CC1CC(C2)(C3)CNC(=O)NCC4=NOC(=C4)C5=CC=CO5 |
| InChI | InChI=1S/C20H25N3O3/c24-19(21-11-16-7-18(26-23-16)17-2-1-3-25-17)22-12-20-8-13-4-14(9-20)6-15(5-13)10-20/h1-3,7,13-15H,4-6,8-12H2,(H2,21,22,24) |
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