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Name | CHEMBL2152358 |
---|---|
Molecular formula | C26H27ClN2O4 |
IUPAC name | N-[(4-chlorophenyl)methyl]-2-[(1S,4S,6E,12R)-3,10-dioxo-2-oxa-11-azatricyclo[10.7.0.013,18]nonadeca-6,13,15,17-tetraen-4-yl]acetamide |
Molecular weight | 466.962 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 2 |
XlogP | 3.5 |
Synonyms | CHEBI:125304 GWFKHZRABSRIEY-SNQMWDEISA-N BDBM50392958 N-(4-chlorobenzyl)-2-((3S,10aR,15aS,E)-2,9-dioxo-2,3,4,7,8,9,10,10a,15,15a-decahydroindeno[2,1-b][1,4]oxaazacyclododecin-3-yl)acetamide BRD-K73183319-001-02-3 [ Show all ] |
Inchi Key | GWFKHZRABSRIEY-SNQMWDEISA-N |
Inchi ID | InChI=1S/C26H27ClN2O4/c27-20-12-10-17(11-13-20)16-28-24(31)15-19-7-2-1-3-9-23(30)29-25-21-8-5-4-6-18(21)14-22(25)33-26(19)32/h1-2,4-6,8,10-13,19,22,25H,3,7,9,14-16H2,(H,28,31)(H,29,30)/b2-1+/t19-,22-,25+/m0/s1 |
PubChem CID | 70680410 |
ChEMBL | CHEMBL2152358 |
IUPHAR | N/A |
BindingDB | 50392958 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
106861 | Smoothened homolog | P56726 | Smo | Mus musculus (Mouse) | 793 |
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