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Ligand

NameSCHEMBL2017314
Molecular formulaC48H43Cl2N3O7
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-pyridin-4-yloxyphenyl)propanoic acid
Molecular weight844.786
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP7.3
SynonymsBDBM190024
CHEMBL3973195
US9175003, 184
Inchi KeyAFWCGPRDQKWXQQ-WWKIHPBISA-N
Inchi IDInChI=1S/C48H43Cl2N3O7/c1-2-42(32-6-4-3-5-7-32)53-27-35-26-45-44(58-29-46(60-45)33-11-15-36(16-12-33)57-28-31-10-17-39(49)40(50)22-31)25-34(35)24-43(53)47(54)52-41(48(55)56)23-30-8-13-37(14-9-30)59-38-18-20-51-21-19-38/h3-22,25-26,41-43,46H,2,23-24,27-29H2,1H3,(H,52,54)(H,55,56)/t41-,42-,43-,46+/m0/s1
PubChem CID49804426
ChEMBLCHEMBL3973195
IUPHARN/A
BindingDB190024
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
536049Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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