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Ligand

NameCHEMBL2152358
Molecular formulaC26H27ClN2O4
IUPAC nameN-[(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 weight466.962
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.5
SynonymsCHEBI: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 KeyGWFKHZRABSRIEY-SNQMWDEISA-N
Inchi IDInChI=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 CID70680410
ChEMBLCHEMBL2152358
IUPHARN/A
BindingDB50392958
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
106861Smoothened homologP56726SmoMus musculus (Mouse)793

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