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Ligand

NameCHEMBL510593
Molecular formulaC56H52N4O14S2
IUPAC name1,3-bis[[4-(cyclopentanecarbonylamino)benzoyl]amino]-2,4-bis[3-methoxy-4-(thiophene-2-carbonyloxy)phenyl]cyclobutane-1,3-dicarboxylic acid
Molecular weight1069.17
Hydrogen bond acceptor16
Hydrogen bond donor6
XlogP8.6
Synonyms1,3-bis(4-(cyclopentanecarboxamido)benzamido)-2,4-bis(3-methoxy-4-(thiophene-2-carbonyloxy)phenyl)cyclobutane-1,3-dicarboxylic acid
BDBM50260245
2,4-Bis[4-[(2-thienyl)carbonyloxy]-3-methoxyphenyl]-1,3-bis[[4-[(cyclopentylcarbonyl)amino]benzoyl]amino]cyclobutane-1,3-dicarboxylic acid
CHEMBL2158418
SCHEMBL12216455
Inchi KeyNEGLAHVNMIDVPL-UHFFFAOYSA-N
Inchi IDInChI=1S/C56H52N4O14S2/c1-71-41-29-35(19-25-39(41)73-51(65)43-13-7-27-75-43)45-55(53(67)68,59-49(63)33-15-21-37(22-16-33)57-47(61)31-9-3-4-10-31)46(36-20-26-40(42(30-36)72-2)74-52(66)44-14-8-28-76-44)56(45,54(69)70)60-50(64)34-17-23-38(24-18-34)58-48(62)32-11-5-6-12-32/h7-8,13-32,45-46H,3-6,9-12H2,1-2H3,(H,57,61)(H,58,62)(H,59,63)(H,60,64)(H,67,68)(H,69,70)
PubChem CID24994287
ChEMBLCHEMBL510593
IUPHARN/A
BindingDB50260245
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This 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
221200Glucagon-like peptide 1 receptorP32301Glp1rRattus norvegicus (Rat)463

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