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Ligand

NameCHEMBL2152367
Molecular formulaC17H21NO3
IUPAC name(3R,8E,11R)-11-methyl-3-phenyl-1-oxa-4-azacyclododec-8-ene-5,12-dione
Molecular weight287.359
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP2.6
SynonymsSCHEMBL17497783
AFIXJTADPDHGEE-MWDOINLKSA-N
(3R,11R,E)-11-methyl-3-phenyl-1-oxa-4-azacyclododec-8-ene-5,12-dione
BDBM50392967
SCHEMBL17497777
Inchi KeyAFIXJTADPDHGEE-MWDOINLKSA-N
Inchi IDInChI=1S/C17H21NO3/c1-13-8-4-2-7-11-16(19)18-15(12-21-17(13)20)14-9-5-3-6-10-14/h2-6,9-10,13,15H,7-8,11-12H2,1H3,(H,18,19)/b4-2+/t13-,15+/m1/s1
PubChem CID71454801
ChEMBLCHEMBL2152367
IUPHARN/A
BindingDB50392967
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
4198Smoothened homologP56726SmoMus musculus (Mouse)793

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