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Ligand

NameSCHEMBL539819
Molecular formulaC50H47Cl2N3O7
IUPAC name(2S)-2-[[(3S,8S)-3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-7-[(1S)-1-phenylpropyl]-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline-8-carbonyl]amino]-3-[4-(2,3-dimethylpyridin-4-yl)oxyphenyl]propanoic acid
Molecular weight872.84
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP8.1
SynonymsUS9175003, 189
CHEMBL3896333
BDBM190028
Inchi KeyADSVWDKBZTUAQI-PZEVNQBWSA-N
Inchi IDInChI=1S/C50H47Cl2N3O7/c1-4-43(34-8-6-5-7-9-34)55-27-37-26-47-46(60-29-48(62-47)35-13-17-38(18-14-35)59-28-33-12-19-40(51)41(52)22-33)25-36(37)24-44(55)49(56)54-42(50(57)58)23-32-10-15-39(16-11-32)61-45-20-21-53-31(3)30(45)2/h5-22,25-26,42-44,48H,4,23-24,27-29H2,1-3H3,(H,54,56)(H,57,58)/t42-,43-,44-,48+/m0/s1
PubChem CID49804716
ChEMBLCHEMBL3896333
IUPHARN/A
BindingDB190028
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
535985Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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