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Ligand

NameER 819762
Molecular formulaC30H39N3O3
IUPAC name(5S)-1'-[(3,5-dimethylphenyl)methyl]-2-ethyl-6,8-dimethoxy-5-methylspiro[5,10-dihydroimidazo[1,5-b][2]benzazepine-3,4'-piperidine]-1-one
Molecular weight489.66
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.5
SynonymsGTPL4040
(5S)-1'-[(3,5-dimethylphenyl)methyl]-2-ethyl-6,8-dimethoxy-5-methylspiro[5,10-dihydroimidazo[1,5-b][2]benzazepine-3,4'-piperidine]-1-one
AKOS032962851
ER-819762
SCHEMBL12789611
[ Show all ]
Inchi KeyANKFBAJRCGOKJJ-QFIPXVFZSA-N
Inchi IDInChI=1S/C30H39N3O3/c1-7-33-29(34)32-19-24-16-25(35-5)17-26(36-6)28(24)22(4)15-27(32)30(33)8-10-31(11-9-30)18-23-13-20(2)12-21(3)14-23/h12-17,22H,7-11,18-19H2,1-6H3/t22-/m0/s1
PubChem CID42596951
ChEMBLN/A
IUPHAR4040
BindingDBN/A
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
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GLASS IDNameUniProtGeneSpeciesLength
553296Prostaglandin E2 receptor EP4 subtypeP35408PTGER4Homo sapiens (Human)488

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