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Ligand

NameSCHEMBL2044598
Molecular formulaC47H43Cl2N5O7
IUPAC name(2S)-2-[[(3S,8S)-3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-7-(2,5-dimethylpyrazole-3-carbonyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline-8-carbonyl]amino]-3-[4-(2,3-dimethylpyridin-4-yl)phenyl]propanoic acid
Molecular weight860.789
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP8.2
SynonymsCHEMBL3938770
BDBM190076
US9175003, 270
Inchi KeyAHTIFQQLNHXTGH-FXJHBLCXSA-N
Inchi IDInChI=1S/C47H43Cl2N5O7/c1-26-17-41(53(4)52-26)46(56)54-23-34-22-43-42(60-25-44(61-43)32-10-12-35(13-11-32)59-24-30-7-14-37(48)38(49)18-30)21-33(34)20-40(54)45(55)51-39(47(57)58)19-29-5-8-31(9-6-29)36-15-16-50-28(3)27(36)2/h5-18,21-22,39-40,44H,19-20,23-25H2,1-4H3,(H,51,55)(H,57,58)/t39-,40-,44+/m0/s1
PubChem CID58327546
ChEMBLCHEMBL3938770
IUPHARN/A
BindingDB190076
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
536088Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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